smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000127508412 1125461827 /nfs/dbraw/zinc/46/18/27/1125461827.db2.gz AUQKEQNTPOTDLE-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000127508412 1125461830 /nfs/dbraw/zinc/46/18/30/1125461830.db2.gz AUQKEQNTPOTDLE-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO CC(C)(C)c1csc(C[NH2+]Cc2csc(C#N)c2)n1 ZINC000921697443 1120139523 /nfs/dbraw/zinc/13/95/23/1120139523.db2.gz LVECKKKPIGLFIZ-UHFFFAOYSA-N 1 2 291.445 3.664 20 30 CHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000076514008 1120285683 /nfs/dbraw/zinc/28/56/83/1120285683.db2.gz VIQSZIQBLLPFBW-LLVKDONJSA-N 1 2 296.201 3.869 20 30 CHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000076514008 1120285686 /nfs/dbraw/zinc/28/56/86/1120285686.db2.gz VIQSZIQBLLPFBW-LLVKDONJSA-N 1 2 296.201 3.869 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC=C(Br)C1 ZINC000281767367 1123744686 /nfs/dbraw/zinc/74/46/86/1123744686.db2.gz ZHXAICAQDQORLE-LLVKDONJSA-N 1 2 291.192 3.604 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC=C(Br)C1 ZINC000281767367 1123744689 /nfs/dbraw/zinc/74/46/89/1123744689.db2.gz ZHXAICAQDQORLE-LLVKDONJSA-N 1 2 291.192 3.604 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccnc(C(F)F)c1 ZINC001231890363 1132392826 /nfs/dbraw/zinc/39/28/26/1132392826.db2.gz JSWWUGCPLMEZGR-UHFFFAOYSA-N 1 2 267.323 3.535 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(C(F)F)c1 ZINC001231890363 1132392832 /nfs/dbraw/zinc/39/28/32/1132392832.db2.gz JSWWUGCPLMEZGR-UHFFFAOYSA-N 1 2 267.323 3.535 20 30 CHEDLO CCCCCCC[N@H+](C)Cc1csc(NC(C)=O)n1 ZINC001232285795 1132449228 /nfs/dbraw/zinc/44/92/28/1132449228.db2.gz HHNVRFKMHMGUTQ-UHFFFAOYSA-N 1 2 283.441 3.504 20 30 CHEDLO CCCCCCC[N@@H+](C)Cc1csc(NC(C)=O)n1 ZINC001232285795 1132449232 /nfs/dbraw/zinc/44/92/32/1132449232.db2.gz HHNVRFKMHMGUTQ-UHFFFAOYSA-N 1 2 283.441 3.504 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000058575370 1125541342 /nfs/dbraw/zinc/54/13/42/1125541342.db2.gz NNKKWCAPRKIUCB-VIFPVBQESA-N 1 2 257.164 3.727 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000058575370 1125541348 /nfs/dbraw/zinc/54/13/48/1125541348.db2.gz NNKKWCAPRKIUCB-VIFPVBQESA-N 1 2 257.164 3.727 20 30 CHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H](C)S1 ZINC000532745823 1125576752 /nfs/dbraw/zinc/57/67/52/1125576752.db2.gz CVEOQGUIBMQGGW-BETUJISGSA-N 1 2 279.836 3.517 20 30 CHEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H](C)S1 ZINC000532745823 1125576756 /nfs/dbraw/zinc/57/67/56/1125576756.db2.gz CVEOQGUIBMQGGW-BETUJISGSA-N 1 2 279.836 3.517 20 30 CHEDLO N#CC1CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137219162 1125620337 /nfs/dbraw/zinc/62/03/37/1125620337.db2.gz BQOLZGVWPOFQSK-UHFFFAOYSA-N 1 2 285.778 3.624 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccnc1 ZINC000073887146 1125639594 /nfs/dbraw/zinc/63/95/94/1125639594.db2.gz YIZKAVVWMJRJHU-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccnc1 ZINC000073887146 1125639600 /nfs/dbraw/zinc/63/96/00/1125639600.db2.gz YIZKAVVWMJRJHU-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1nccs1 ZINC000090665220 1125744690 /nfs/dbraw/zinc/74/46/90/1125744690.db2.gz GVPFTCHOEOMFSW-TZMCWYRMSA-N 1 2 271.389 3.839 20 30 CHEDLO C[N@H+](Cc1cscn1)Cc1ccccc1C(C)(C)C#N ZINC000135144619 1126713387 /nfs/dbraw/zinc/71/33/87/1126713387.db2.gz AVMRXGDYEBFWDE-UHFFFAOYSA-N 1 2 285.416 3.576 20 30 CHEDLO C[N@@H+](Cc1cscn1)Cc1ccccc1C(C)(C)C#N ZINC000135144619 1126713390 /nfs/dbraw/zinc/71/33/90/1126713390.db2.gz AVMRXGDYEBFWDE-UHFFFAOYSA-N 1 2 285.416 3.576 20 30 CHEDLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cccc(C#N)c1 ZINC000175543275 1126783637 /nfs/dbraw/zinc/78/36/37/1126783637.db2.gz JZMDNOWPYZZQOY-UHFFFAOYSA-N 1 2 297.427 3.526 20 30 CHEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cccc(C#N)c1 ZINC000175543275 1126783641 /nfs/dbraw/zinc/78/36/41/1126783641.db2.gz JZMDNOWPYZZQOY-UHFFFAOYSA-N 1 2 297.427 3.526 20 30 CHEDLO CCc1cnc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000177769513 1126804838 /nfs/dbraw/zinc/80/48/38/1126804838.db2.gz HLCNNYHJZNAICO-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000177769513 1126804841 /nfs/dbraw/zinc/80/48/41/1126804841.db2.gz HLCNNYHJZNAICO-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnn(C)c1C ZINC000268921873 1127029059 /nfs/dbraw/zinc/02/90/59/1127029059.db2.gz WUEXTMXPIMFEFE-UHFFFAOYSA-N 1 2 295.839 3.632 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnn(C)c1C ZINC000268921873 1127029063 /nfs/dbraw/zinc/02/90/63/1127029063.db2.gz WUEXTMXPIMFEFE-UHFFFAOYSA-N 1 2 295.839 3.632 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(F)c(F)c3)n2c1 ZINC000151390590 1127133820 /nfs/dbraw/zinc/13/38/20/1127133820.db2.gz RPYUDRJYKCOPKX-GQCTYLIASA-N 1 2 298.292 3.817 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3ccc(C)cn13)C2 ZINC000151426502 1127134482 /nfs/dbraw/zinc/13/44/82/1127134482.db2.gz JYLASUPSELHHOG-DHDCSXOGSA-N 1 2 288.350 3.774 20 30 CHEDLO N#Cc1c(Cl)cccc1SCCCn1cc[nH+]c1 ZINC000351690680 1127204049 /nfs/dbraw/zinc/20/40/49/1127204049.db2.gz CIGRISWJGDQBQU-UHFFFAOYSA-N 1 2 277.780 3.591 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000589173313 1127213601 /nfs/dbraw/zinc/21/36/01/1127213601.db2.gz XBMOSHLBYBPFLN-ICTCPBKTSA-N 1 2 276.330 3.604 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000589173313 1127213605 /nfs/dbraw/zinc/21/36/05/1127213605.db2.gz XBMOSHLBYBPFLN-ICTCPBKTSA-N 1 2 276.330 3.604 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000589173283 1127213980 /nfs/dbraw/zinc/21/39/80/1127213980.db2.gz SGJNSBIWPCSJRM-MRXNPFEDSA-N 1 2 254.333 3.558 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000589173283 1127213981 /nfs/dbraw/zinc/21/39/81/1127213981.db2.gz SGJNSBIWPCSJRM-MRXNPFEDSA-N 1 2 254.333 3.558 20 30 CHEDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000589500114 1127223853 /nfs/dbraw/zinc/22/38/53/1127223853.db2.gz YCUSLBNNADESBU-OAHLLOKOSA-N 1 2 283.400 3.524 20 30 CHEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589500114 1127223856 /nfs/dbraw/zinc/22/38/56/1127223856.db2.gz YCUSLBNNADESBU-OAHLLOKOSA-N 1 2 283.400 3.524 20 30 CHEDLO C=CC[N@H+](Cc1cc(F)c(O)c(Cl)c1)C(C)(C)C ZINC001237993001 1131157564 /nfs/dbraw/zinc/15/75/64/1131157564.db2.gz ONWWRSDUXWSNSO-UHFFFAOYSA-N 1 2 271.763 3.971 20 30 CHEDLO C=CC[N@@H+](Cc1cc(F)c(O)c(Cl)c1)C(C)(C)C ZINC001237993001 1131157568 /nfs/dbraw/zinc/15/75/68/1131157568.db2.gz ONWWRSDUXWSNSO-UHFFFAOYSA-N 1 2 271.763 3.971 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590173192 1127251711 /nfs/dbraw/zinc/25/17/11/1127251711.db2.gz NGDVVBUPPQOLAT-GOSISDBHSA-N 1 2 285.435 3.893 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590173192 1127251713 /nfs/dbraw/zinc/25/17/13/1127251713.db2.gz NGDVVBUPPQOLAT-GOSISDBHSA-N 1 2 285.435 3.893 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(C2CC2)c(C)c1 ZINC001238616779 1131223819 /nfs/dbraw/zinc/22/38/19/1131223819.db2.gz HZYSWIQNKCBDOR-UHFFFAOYSA-N 1 2 271.408 3.783 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(C2CC2)c(C)c1 ZINC001238616779 1131223824 /nfs/dbraw/zinc/22/38/24/1131223824.db2.gz HZYSWIQNKCBDOR-UHFFFAOYSA-N 1 2 271.408 3.783 20 30 CHEDLO C[C@H]1CC[N@H+](Cc2ccncc2C#N)[C@H](c2ccco2)C1 ZINC000592071296 1127334084 /nfs/dbraw/zinc/33/40/84/1127334084.db2.gz DSTCYBQXGXFXOL-BBRMVZONSA-N 1 2 281.359 3.519 20 30 CHEDLO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H](c2ccco2)C1 ZINC000592071296 1127334089 /nfs/dbraw/zinc/33/40/89/1127334089.db2.gz DSTCYBQXGXFXOL-BBRMVZONSA-N 1 2 281.359 3.519 20 30 CHEDLO CC(C)(C)c1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)no1 ZINC000289352771 1127382423 /nfs/dbraw/zinc/38/24/23/1127382423.db2.gz LIGTXSJXZTXVGO-UHFFFAOYSA-N 1 2 295.386 3.623 20 30 CHEDLO C=CCCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000290332587 1127388889 /nfs/dbraw/zinc/38/88/89/1127388889.db2.gz OZUUGEKXUJARNT-INIZCTEOSA-N 1 2 284.407 3.620 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2ccccc2)cn1 ZINC000593621844 1127391489 /nfs/dbraw/zinc/39/14/89/1127391489.db2.gz LXDRHKVJCXVBEC-AWEZNQCLSA-N 1 2 277.371 3.703 20 30 CHEDLO CC(C)(C#N)CCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594032336 1127406110 /nfs/dbraw/zinc/40/61/10/1127406110.db2.gz ZCBJFQICFCVGTG-UHFFFAOYSA-N 1 2 264.319 3.610 20 30 CHEDLO CCc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000358591227 1127428227 /nfs/dbraw/zinc/42/82/27/1127428227.db2.gz OGRRJCFZFPXQII-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2F)CCCCC1 ZINC000594981096 1127443178 /nfs/dbraw/zinc/44/31/78/1127443178.db2.gz GSOYZDPMYVUTGS-UHFFFAOYSA-N 1 2 282.309 3.668 20 30 CHEDLO C=CCOCCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000359119516 1127450148 /nfs/dbraw/zinc/45/01/48/1127450148.db2.gz BGRWMKBSFCMPDP-UHFFFAOYSA-N 1 2 288.416 3.698 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCc2ccccc2C1 ZINC000359595018 1127469203 /nfs/dbraw/zinc/46/92/03/1127469203.db2.gz KYGYPDQZBISCQN-MRXNPFEDSA-N 1 2 294.398 3.800 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCc2ccccc2C1 ZINC000359595018 1127469206 /nfs/dbraw/zinc/46/92/06/1127469206.db2.gz KYGYPDQZBISCQN-MRXNPFEDSA-N 1 2 294.398 3.800 20 30 CHEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613344 1127470157 /nfs/dbraw/zinc/47/01/57/1127470157.db2.gz BILSIFOWJCOOED-QWHCGFSZSA-N 1 2 275.396 3.659 20 30 CHEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613344 1127470159 /nfs/dbraw/zinc/47/01/59/1127470159.db2.gz BILSIFOWJCOOED-QWHCGFSZSA-N 1 2 275.396 3.659 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000595615952 1127471290 /nfs/dbraw/zinc/47/12/90/1127471290.db2.gz KBKOVVQFPFYGSZ-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000595615952 1127471292 /nfs/dbraw/zinc/47/12/92/1127471292.db2.gz KBKOVVQFPFYGSZ-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841380 1127477108 /nfs/dbraw/zinc/47/71/08/1127477108.db2.gz LFXWONKVEZARJR-QGZVFWFLSA-N 1 2 272.392 3.554 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841380 1127477109 /nfs/dbraw/zinc/47/71/09/1127477109.db2.gz LFXWONKVEZARJR-QGZVFWFLSA-N 1 2 272.392 3.554 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842626 1127478039 /nfs/dbraw/zinc/47/80/39/1127478039.db2.gz UDNNLXQVLQLUSL-QGZVFWFLSA-N 1 2 271.408 3.503 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842626 1127478041 /nfs/dbraw/zinc/47/80/41/1127478041.db2.gz UDNNLXQVLQLUSL-QGZVFWFLSA-N 1 2 271.408 3.503 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000359903645 1127482879 /nfs/dbraw/zinc/48/28/79/1127482879.db2.gz BCDSCTRPTQVZEX-UHFFFAOYSA-N 1 2 284.737 3.689 20 30 CHEDLO CC(C)(CCC#N)CNc1c[nH+]c2c(c1)CCCC2 ZINC000359945067 1127484108 /nfs/dbraw/zinc/48/41/08/1127484108.db2.gz CJRRSQFLUKMOBJ-UHFFFAOYSA-N 1 2 257.381 3.702 20 30 CHEDLO Cc1cc(OCC2(CC#N)CC2)c2ccccc2[nH+]1 ZINC000596280607 1127487622 /nfs/dbraw/zinc/48/76/22/1127487622.db2.gz ZRIXZQAFHSCQKX-UHFFFAOYSA-N 1 2 252.317 3.616 20 30 CHEDLO CCCc1ccc2[nH+]ccc(N3CC[C@](C)(C#N)C3)c2c1 ZINC000596532704 1127507441 /nfs/dbraw/zinc/50/74/41/1127507441.db2.gz WMTDWHGWLSHOHT-GOSISDBHSA-N 1 2 279.387 3.927 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361061870 1127535051 /nfs/dbraw/zinc/53/50/51/1127535051.db2.gz JOYUNZWUUOSGAL-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361061870 1127535054 /nfs/dbraw/zinc/53/50/54/1127535054.db2.gz JOYUNZWUUOSGAL-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO N#CC1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000602520034 1127587663 /nfs/dbraw/zinc/58/76/63/1127587663.db2.gz GEGGTFOZCGTTEW-UHFFFAOYSA-N 1 2 284.407 3.566 20 30 CHEDLO CC(C)(C)c1csc(CC2CC[NH+](CCC#N)CC2)n1 ZINC000602893714 1127619941 /nfs/dbraw/zinc/61/99/41/1127619941.db2.gz SXLIGFPIBGJYRI-UHFFFAOYSA-N 1 2 291.464 3.609 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981775 1127624130 /nfs/dbraw/zinc/62/41/30/1127624130.db2.gz JLPODLVAARNACX-GXTWGEPZSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981775 1127624132 /nfs/dbraw/zinc/62/41/32/1127624132.db2.gz JLPODLVAARNACX-GXTWGEPZSA-N 1 2 294.345 3.721 20 30 CHEDLO CCCCCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363571515 1127678055 /nfs/dbraw/zinc/67/80/55/1127678055.db2.gz ORWRLNGYSCQKAX-HNNXBMFYSA-N 1 2 291.439 3.866 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751993 1131240198 /nfs/dbraw/zinc/24/01/98/1131240198.db2.gz QOMYNXTYBWAZNO-MRXNPFEDSA-N 1 2 286.419 3.826 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751993 1131240202 /nfs/dbraw/zinc/24/02/02/1131240202.db2.gz QOMYNXTYBWAZNO-MRXNPFEDSA-N 1 2 286.419 3.826 20 30 CHEDLO CC(C)(C#N)c1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000608885346 1127893375 /nfs/dbraw/zinc/89/33/75/1127893375.db2.gz WWIDYEVPCVVYOI-UHFFFAOYSA-N 1 2 277.331 3.503 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000608975261 1127896032 /nfs/dbraw/zinc/89/60/32/1127896032.db2.gz BLTPXVQJGFBKDF-INIZCTEOSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000608975261 1127896035 /nfs/dbraw/zinc/89/60/35/1127896035.db2.gz BLTPXVQJGFBKDF-INIZCTEOSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000509818035 1128040212 /nfs/dbraw/zinc/04/02/12/1128040212.db2.gz FFNVBPIPSLSECE-AWEZNQCLSA-N 1 2 272.392 3.599 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000509818035 1128040214 /nfs/dbraw/zinc/04/02/14/1128040214.db2.gz FFNVBPIPSLSECE-AWEZNQCLSA-N 1 2 272.392 3.599 20 30 CHEDLO C#C[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(F)cc1 ZINC000491351586 1128067955 /nfs/dbraw/zinc/06/79/55/1128067955.db2.gz USMLJJFFKDZYQR-XJKSGUPXSA-N 1 2 268.335 3.554 20 30 CHEDLO CC[C@H]([NH2+]Cc1cc(C(C)C)no1)c1cccc(C#N)c1O ZINC000925069932 1128121157 /nfs/dbraw/zinc/12/11/57/1128121157.db2.gz YLNMAROUSWXFOX-HNNXBMFYSA-N 1 2 299.374 3.616 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000925760253 1128140866 /nfs/dbraw/zinc/14/08/66/1128140866.db2.gz WCAYLSNIOQKECA-AWEZNQCLSA-N 1 2 286.423 3.812 20 30 CHEDLO CC[C@H]([NH2+]CCC1(F)CCC1)c1cccc(C#N)c1O ZINC000926422285 1128171104 /nfs/dbraw/zinc/17/11/04/1128171104.db2.gz CQYZNOCEDOSTCM-AWEZNQCLSA-N 1 2 276.355 3.587 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(C)c1Br ZINC000930693063 1128331082 /nfs/dbraw/zinc/33/10/82/1128331082.db2.gz LLWUYXJJHIOJAZ-GFCCVEGCSA-N 1 2 281.197 3.539 20 30 CHEDLO CCCN[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000915966027 1128401282 /nfs/dbraw/zinc/40/12/82/1128401282.db2.gz UULKVLKMWPZGQU-UHFFFAOYSA-N 1 2 294.811 3.874 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000153821104 1128406144 /nfs/dbraw/zinc/40/61/44/1128406144.db2.gz HXZVJPJPTKXNDK-SFHVURJKSA-N 1 2 296.801 3.924 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153821104 1128406146 /nfs/dbraw/zinc/40/61/46/1128406146.db2.gz HXZVJPJPTKXNDK-SFHVURJKSA-N 1 2 296.801 3.924 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000153821000 1128406175 /nfs/dbraw/zinc/40/61/75/1128406175.db2.gz HXZVJPJPTKXNDK-GOSISDBHSA-N 1 2 296.801 3.924 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153821000 1128406177 /nfs/dbraw/zinc/40/61/77/1128406177.db2.gz HXZVJPJPTKXNDK-GOSISDBHSA-N 1 2 296.801 3.924 20 30 CHEDLO CC(=[NH+]Nc1ccccc1Cl)c1ccc(N)cc1 ZINC000916540054 1128422939 /nfs/dbraw/zinc/42/29/39/1128422939.db2.gz LDRQGABDTASERT-UHFFFAOYSA-N 1 2 259.740 3.758 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccncc1 ZINC000072951236 1128638014 /nfs/dbraw/zinc/63/80/14/1128638014.db2.gz DNNJZUZJJGTIMN-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccncc1 ZINC000072951236 1128638015 /nfs/dbraw/zinc/63/80/15/1128638015.db2.gz DNNJZUZJJGTIMN-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO Cc1cn2cccc(Nc3ccc(C4(C#N)CC4)cc3)c2[nH+]1 ZINC001212247758 1128669623 /nfs/dbraw/zinc/66/96/23/1128669623.db2.gz UCBDLHZFUBUPQG-UHFFFAOYSA-N 1 2 288.354 3.942 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@H]2CC=CCC2)c1 ZINC000920990966 1128696810 /nfs/dbraw/zinc/69/68/10/1128696810.db2.gz LXDWHCSXIZUZJR-IGWPVBGESA-N 1 2 259.349 3.566 20 30 CHEDLO CCC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(C)cc1 ZINC000578378129 1128716313 /nfs/dbraw/zinc/71/63/13/1128716313.db2.gz PAAUZTQJXDBTLI-UHFFFAOYSA-N 1 2 285.416 3.735 20 30 CHEDLO CCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(C)cc1 ZINC000578378129 1128716316 /nfs/dbraw/zinc/71/63/16/1128716316.db2.gz PAAUZTQJXDBTLI-UHFFFAOYSA-N 1 2 285.416 3.735 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000610004016 1128734364 /nfs/dbraw/zinc/73/43/64/1128734364.db2.gz YWBHSNVGDRNFJG-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000610004016 1128734366 /nfs/dbraw/zinc/73/43/66/1128734366.db2.gz YWBHSNVGDRNFJG-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000610003883 1128734482 /nfs/dbraw/zinc/73/44/82/1128734482.db2.gz MIXRDTJKVFBAOJ-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000610003883 1128734484 /nfs/dbraw/zinc/73/44/84/1128734484.db2.gz MIXRDTJKVFBAOJ-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO N#CCc1cc[nH+]c(N2CC[C@H](C3CCCCC3)C2)c1 ZINC001167067275 1117869671 /nfs/dbraw/zinc/86/96/71/1117869671.db2.gz CRKONARUSHGCJD-INIZCTEOSA-N 1 2 269.392 3.554 20 30 CHEDLO C=CCN(Cc1ccccc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001167126763 1118042697 /nfs/dbraw/zinc/04/26/97/1118042697.db2.gz NBMNPGVRGKPGHU-UHFFFAOYSA-N 1 2 288.354 3.627 20 30 CHEDLO C=CCCCCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209438446 1118058450 /nfs/dbraw/zinc/05/84/50/1118058450.db2.gz LIKGDAIGAROXQQ-CQSZACIVSA-N 1 2 275.383 3.605 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209438446 1118058455 /nfs/dbraw/zinc/05/84/55/1118058455.db2.gz LIKGDAIGAROXQQ-CQSZACIVSA-N 1 2 275.383 3.605 20 30 CHEDLO CNc1ccc(Nc2cccc(C(C)(C)C#N)c2)c[nH+]1 ZINC001203458349 1118221945 /nfs/dbraw/zinc/22/19/45/1118221945.db2.gz LIUTXLXAUCCMMB-UHFFFAOYSA-N 1 2 266.348 3.668 20 30 CHEDLO CCCCc1noc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000610346485 1118341077 /nfs/dbraw/zinc/34/10/77/1118341077.db2.gz VOZJIKKPEZAYAD-OLZOCXBDSA-N 1 2 298.390 3.696 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCc1nccs1 ZINC000050234227 1118456990 /nfs/dbraw/zinc/45/69/90/1118456990.db2.gz HVIAZFUITDIZHG-GZTJUZNOSA-N 1 2 282.368 3.664 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192598 1118483267 /nfs/dbraw/zinc/48/32/67/1118483267.db2.gz JBWPBTBPJZAKKH-CVEARBPZSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192598 1118483270 /nfs/dbraw/zinc/48/32/70/1118483270.db2.gz JBWPBTBPJZAKKH-CVEARBPZSA-N 1 2 274.795 3.953 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001659832650 1118488132 /nfs/dbraw/zinc/48/81/32/1118488132.db2.gz OWGJISMTVCMSJW-RDBSUJKOSA-N 1 2 287.831 3.619 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337242 1118545662 /nfs/dbraw/zinc/54/56/62/1118545662.db2.gz IEPBYLGIOQKVQI-CQSZACIVSA-N 1 2 283.400 3.546 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337242 1118545663 /nfs/dbraw/zinc/54/56/63/1118545663.db2.gz IEPBYLGIOQKVQI-CQSZACIVSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1csc(C#N)c1 ZINC000891524069 1118702738 /nfs/dbraw/zinc/70/27/38/1118702738.db2.gz IIXGGWUBHGWXAB-JTQLQIEISA-N 1 2 274.414 3.801 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1csc(C#N)c1 ZINC000891524069 1118702741 /nfs/dbraw/zinc/70/27/41/1118702741.db2.gz IIXGGWUBHGWXAB-JTQLQIEISA-N 1 2 274.414 3.801 20 30 CHEDLO CC[N@@H+](Cc1ccc(C(F)F)c(F)c1)C[C@@H](C)C#N ZINC000891716323 1118749921 /nfs/dbraw/zinc/74/99/21/1118749921.db2.gz OGGXPLWBPALTRY-JTQLQIEISA-N 1 2 270.298 3.745 20 30 CHEDLO CC[N@H+](Cc1ccc(C(F)F)c(F)c1)C[C@@H](C)C#N ZINC000891716323 1118749922 /nfs/dbraw/zinc/74/99/22/1118749922.db2.gz OGGXPLWBPALTRY-JTQLQIEISA-N 1 2 270.298 3.745 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CCC[C@@H]2CCCCO2)c1 ZINC000588457749 1118821434 /nfs/dbraw/zinc/82/14/34/1118821434.db2.gz IWWIRWLZBUSOOT-LUJRCDHRSA-N 1 2 291.391 3.559 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H](C)C#N ZINC000091984301 1118837688 /nfs/dbraw/zinc/83/76/88/1118837688.db2.gz OHVXPBPQOFEQHN-SNVBAGLBSA-N 1 2 288.288 3.826 20 30 CHEDLO CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H](C)C#N ZINC000091984301 1118837694 /nfs/dbraw/zinc/83/76/94/1118837694.db2.gz OHVXPBPQOFEQHN-SNVBAGLBSA-N 1 2 288.288 3.826 20 30 CHEDLO N#Cc1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)ccc1F ZINC000610720109 1118840563 /nfs/dbraw/zinc/84/05/63/1118840563.db2.gz UJITYXXLPAANAM-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)ccc1F ZINC000610720109 1118840569 /nfs/dbraw/zinc/84/05/69/1118840569.db2.gz UJITYXXLPAANAM-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000603428312 1118915005 /nfs/dbraw/zinc/91/50/05/1118915005.db2.gz HFUCLPUUNMRGJN-QMTHXVAHSA-N 1 2 264.319 3.569 20 30 CHEDLO Cc1cccnc1[C@@H]([NH2+]Cc1ccncc1C#N)C(C)(C)C ZINC000934285937 1119008472 /nfs/dbraw/zinc/00/84/72/1119008472.db2.gz ASZUUKMFXNKLNZ-QGZVFWFLSA-N 1 2 294.402 3.534 20 30 CHEDLO CC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1Cl ZINC000162923683 1119010795 /nfs/dbraw/zinc/01/07/95/1119010795.db2.gz FMNPZDBPSYFRCH-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1Cl ZINC000162923683 1119010797 /nfs/dbraw/zinc/01/07/97/1119010797.db2.gz FMNPZDBPSYFRCH-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(C#N)cc1 ZINC000127506095 1119064532 /nfs/dbraw/zinc/06/45/32/1119064532.db2.gz XGQYOWJSCZYPRN-NEPJUHHUSA-N 1 2 298.390 3.651 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464558 1119079439 /nfs/dbraw/zinc/07/94/39/1119079439.db2.gz JNPOBMDBUXVQBJ-OLZOCXBDSA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464558 1119079443 /nfs/dbraw/zinc/07/94/43/1119079443.db2.gz JNPOBMDBUXVQBJ-OLZOCXBDSA-N 1 2 292.810 3.626 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCC2=CCCCC2)c1 ZINC000111944848 1119090880 /nfs/dbraw/zinc/09/08/80/1119090880.db2.gz KOGSMMJTFRQABR-SFQUDFHCSA-N 1 2 259.349 3.710 20 30 CHEDLO C=C(C)CCc1ccccc1NCc1cc[nH+]c(N)c1 ZINC001167616736 1119212449 /nfs/dbraw/zinc/21/24/49/1119212449.db2.gz ORCSQORIWJJQFI-UHFFFAOYSA-N 1 2 267.376 3.785 20 30 CHEDLO COc1cccc2[nH+]c(NCc3ccccc3C#N)ccc21 ZINC001167633704 1119248532 /nfs/dbraw/zinc/24/85/32/1119248532.db2.gz ONORLXVDSKIKGV-UHFFFAOYSA-N 1 2 289.338 3.727 20 30 CHEDLO CC(C)COc1cc(NCc2ccccc2C#N)cc[nH+]1 ZINC001167634261 1119249219 /nfs/dbraw/zinc/24/92/19/1119249219.db2.gz SWMRHCDOMVAZID-UHFFFAOYSA-N 1 2 281.359 3.600 20 30 CHEDLO COc1ccccc1C[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000052182794 1119314856 /nfs/dbraw/zinc/31/48/56/1119314856.db2.gz WMASSQCTTOHNSO-UHFFFAOYSA-N 1 2 292.382 3.731 20 30 CHEDLO COc1ccccc1C[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000052182794 1119314858 /nfs/dbraw/zinc/31/48/58/1119314858.db2.gz WMASSQCTTOHNSO-UHFFFAOYSA-N 1 2 292.382 3.731 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000343161371 1119334704 /nfs/dbraw/zinc/33/47/04/1119334704.db2.gz NBLUUYWPSJOWLN-CQSZACIVSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000343161371 1119334705 /nfs/dbraw/zinc/33/47/05/1119334705.db2.gz NBLUUYWPSJOWLN-CQSZACIVSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000343165359 1119336448 /nfs/dbraw/zinc/33/64/48/1119336448.db2.gz ZDAFZTFYUPARKK-CQSZACIVSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000343165359 1119336445 /nfs/dbraw/zinc/33/64/45/1119336445.db2.gz ZDAFZTFYUPARKK-CQSZACIVSA-N 1 2 260.768 3.781 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213087816 1119343272 /nfs/dbraw/zinc/34/32/72/1119343272.db2.gz BMGDQFWUCZDIEF-UHFFFAOYSA-N 1 2 260.300 3.692 20 30 CHEDLO C[C@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1ccccn1 ZINC000132309560 1119445902 /nfs/dbraw/zinc/44/59/02/1119445902.db2.gz JGXCQRIJMSRZCD-QGZVFWFLSA-N 1 2 293.414 3.676 20 30 CHEDLO C[C@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000132309560 1119445905 /nfs/dbraw/zinc/44/59/05/1119445905.db2.gz JGXCQRIJMSRZCD-QGZVFWFLSA-N 1 2 293.414 3.676 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccccc2)o1 ZINC000052868437 1119486051 /nfs/dbraw/zinc/48/60/51/1119486051.db2.gz LORBAKSADNLOTK-UHFFFAOYSA-N 1 2 254.333 3.516 20 30 CHEDLO CC(C)Sc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901472560 1128850105 /nfs/dbraw/zinc/85/01/05/1128850105.db2.gz KJYUYBNXPBOHTA-RMKNXTFCSA-N 1 2 286.400 3.817 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000628406770 1128856543 /nfs/dbraw/zinc/85/65/43/1128856543.db2.gz QFVMBTQGYHPVLZ-SECBINFHSA-N 1 2 276.327 3.560 20 30 CHEDLO C=CC[C@@H]1CC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000628406770 1128856548 /nfs/dbraw/zinc/85/65/48/1128856548.db2.gz QFVMBTQGYHPVLZ-SECBINFHSA-N 1 2 276.327 3.560 20 30 CHEDLO COc1cccc(/C=[NH+]\CCc2cc3ccccc3[nH]2)c1O ZINC000255736364 1119736322 /nfs/dbraw/zinc/73/63/22/1119736322.db2.gz QJVPUSGVODBVGS-UNOMPAQXSA-N 1 2 294.354 3.544 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000612163114 1119738197 /nfs/dbraw/zinc/73/81/97/1119738197.db2.gz OBTXORJSERBLSF-HOTGVXAUSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000612163114 1119738200 /nfs/dbraw/zinc/73/82/00/1119738200.db2.gz OBTXORJSERBLSF-HOTGVXAUSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](CCSc2ccccc2F)C1 ZINC000612161765 1119738248 /nfs/dbraw/zinc/73/82/48/1119738248.db2.gz DNSNJQGGRFPDFS-OAHLLOKOSA-N 1 2 278.396 3.543 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000612161765 1119738250 /nfs/dbraw/zinc/73/82/50/1119738250.db2.gz DNSNJQGGRFPDFS-OAHLLOKOSA-N 1 2 278.396 3.543 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000612163098 1119738614 /nfs/dbraw/zinc/73/86/14/1119738614.db2.gz OBTXORJSERBLSF-CVEARBPZSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000612163098 1119738619 /nfs/dbraw/zinc/73/86/19/1119738619.db2.gz OBTXORJSERBLSF-CVEARBPZSA-N 1 2 274.795 3.953 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165181 1119739127 /nfs/dbraw/zinc/73/91/27/1119739127.db2.gz LACGUTIKZBJHNN-CJNGLKHVSA-N 1 2 287.363 3.590 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165181 1119739131 /nfs/dbraw/zinc/73/91/31/1119739131.db2.gz LACGUTIKZBJHNN-CJNGLKHVSA-N 1 2 287.363 3.590 20 30 CHEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1C(F)(F)F ZINC000414370686 1120002819 /nfs/dbraw/zinc/00/28/19/1120002819.db2.gz LJRARXVUOBNLRX-JTQLQIEISA-N 1 2 270.298 3.605 20 30 CHEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1C(F)(F)F ZINC000414370686 1120002823 /nfs/dbraw/zinc/00/28/23/1120002823.db2.gz LJRARXVUOBNLRX-JTQLQIEISA-N 1 2 270.298 3.605 20 30 CHEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1C(F)(F)F ZINC000414379092 1120008774 /nfs/dbraw/zinc/00/87/74/1120008774.db2.gz FQMRZWGCRWPVNI-NSHDSACASA-N 1 2 270.298 3.748 20 30 CHEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1C(F)(F)F ZINC000414379092 1120008776 /nfs/dbraw/zinc/00/87/76/1120008776.db2.gz FQMRZWGCRWPVNI-NSHDSACASA-N 1 2 270.298 3.748 20 30 CHEDLO CC[C@H]([NH2+]CC[C@H]1CCCS1)c1cccc(C#N)c1O ZINC000926789750 1120029591 /nfs/dbraw/zinc/02/95/91/1120029591.db2.gz JOAQFNYZFYRLDA-HIFRSBDPSA-N 1 2 290.432 3.590 20 30 CHEDLO C=CC(C)(C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921657539 1120057298 /nfs/dbraw/zinc/05/72/98/1120057298.db2.gz UZJWTIYDVOEEKP-UHFFFAOYSA-N 1 2 283.375 3.844 20 30 CHEDLO Cc1[nH]c(-c2ccc(NC(=O)C#CC(C)(C)C)cc2)[nH+]c1C ZINC000921657327 1120057546 /nfs/dbraw/zinc/05/75/46/1120057546.db2.gz RLEMCDOTOZDPQR-UHFFFAOYSA-N 1 2 295.386 3.682 20 30 CHEDLO Cc1[nH]c(-c2ccc(NC(=O)CCCCC#N)cc2)[nH+]c1C ZINC000921657259 1120057764 /nfs/dbraw/zinc/05/77/64/1120057764.db2.gz ZZNBDXKETWYBLH-UHFFFAOYSA-N 1 2 296.374 3.716 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1Cl ZINC000122217189 1120061599 /nfs/dbraw/zinc/06/15/99/1120061599.db2.gz LBWZGENRHNMWGE-VIFPVBQESA-N 1 2 254.736 3.679 20 30 CHEDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903101840 1120069583 /nfs/dbraw/zinc/06/95/83/1120069583.db2.gz NOMGYQGJZKZSCF-SNVBAGLBSA-N 1 2 293.392 3.517 20 30 CHEDLO C[C@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)c1cccc(C#N)c1 ZINC001167710407 1120070691 /nfs/dbraw/zinc/07/06/91/1120070691.db2.gz NJFWYAOPEJILMY-ZDUSSCGKSA-N 1 2 288.354 3.682 20 30 CHEDLO Cc1c[nH+]cc(N[C@@H](C)c2cccc(C#N)c2)c1C ZINC001167711011 1120081676 /nfs/dbraw/zinc/08/16/76/1120081676.db2.gz VXOJQYHBQOMQFH-ZDUSSCGKSA-N 1 2 251.333 3.743 20 30 CHEDLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C#N)c1 ZINC000613656924 1120147745 /nfs/dbraw/zinc/14/77/45/1120147745.db2.gz XRPFYWOWZAOBHE-VIFPVBQESA-N 1 2 277.780 3.519 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H](OCC)C(C)C)c1 ZINC000074797255 1120247257 /nfs/dbraw/zinc/24/72/57/1120247257.db2.gz IKLOTQIHMNONFT-BOFQVRIASA-N 1 2 293.407 3.661 20 30 CHEDLO C[N@@H+]1CCCc2cc(NCc3csc(C#N)c3)ccc21 ZINC000921882208 1120264182 /nfs/dbraw/zinc/26/41/82/1120264182.db2.gz BMSKBABEVHZRDC-UHFFFAOYSA-N 1 2 283.400 3.614 20 30 CHEDLO C[N@H+]1CCCc2cc(NCc3csc(C#N)c3)ccc21 ZINC000921882208 1120264185 /nfs/dbraw/zinc/26/41/85/1120264185.db2.gz BMSKBABEVHZRDC-UHFFFAOYSA-N 1 2 283.400 3.614 20 30 CHEDLO N#Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001240151927 1120266021 /nfs/dbraw/zinc/26/60/21/1120266021.db2.gz NKBRXHXFBKUSEA-UHFFFAOYSA-N 1 2 263.275 3.550 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000672579259 1120329029 /nfs/dbraw/zinc/32/90/29/1120329029.db2.gz RJOFHDRTEQGSIN-OAHLLOKOSA-N 1 2 266.388 3.649 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000672579259 1120329034 /nfs/dbraw/zinc/32/90/34/1120329034.db2.gz RJOFHDRTEQGSIN-OAHLLOKOSA-N 1 2 266.388 3.649 20 30 CHEDLO N#Cc1cc(CNc2c[nH+]cc3c2CCCC3)cs1 ZINC000922233466 1120479535 /nfs/dbraw/zinc/47/95/35/1120479535.db2.gz BHYIJNVIRJQFBJ-UHFFFAOYSA-N 1 2 269.373 3.506 20 30 CHEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428302882 1120493088 /nfs/dbraw/zinc/49/30/88/1120493088.db2.gz GWWVXEYPIIETCT-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000499766453 1120514502 /nfs/dbraw/zinc/51/45/02/1120514502.db2.gz BPNLJEKWOZGBJS-BBWFWOEESA-N 1 2 278.440 3.596 20 30 CHEDLO CC(C)C[C@H](C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000499766453 1120514504 /nfs/dbraw/zinc/51/45/04/1120514504.db2.gz BPNLJEKWOZGBJS-BBWFWOEESA-N 1 2 278.440 3.596 20 30 CHEDLO Cc1cccc(C[N@@H+](C)Cc2c(F)ccc(C#N)c2F)c1 ZINC001143164885 1120658336 /nfs/dbraw/zinc/65/83/36/1120658336.db2.gz QJAQSILDIHTSEP-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cccc(C[N@H+](C)Cc2c(F)ccc(C#N)c2F)c1 ZINC001143164885 1120658337 /nfs/dbraw/zinc/65/83/37/1120658337.db2.gz QJAQSILDIHTSEP-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CC[C@@H](C)c1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901542456 1128940687 /nfs/dbraw/zinc/94/06/87/1128940687.db2.gz DYNJKXCRQDYFDV-WTNCMQEWSA-N 1 2 268.360 3.830 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000053897067 1120921905 /nfs/dbraw/zinc/92/19/05/1120921905.db2.gz KITVNDFAHMPMSU-UHFFFAOYSA-N 1 2 286.375 3.947 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000053897067 1120921910 /nfs/dbraw/zinc/92/19/10/1120921910.db2.gz KITVNDFAHMPMSU-UHFFFAOYSA-N 1 2 286.375 3.947 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352404 1121293973 /nfs/dbraw/zinc/29/39/73/1121293973.db2.gz OOTJBGJOJKPALO-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO Cc1cc(OCC2(C#N)CCC2)c2cccc(C)c2[nH+]1 ZINC000418943151 1121344733 /nfs/dbraw/zinc/34/47/33/1121344733.db2.gz MNBIEEXURPSQLI-UHFFFAOYSA-N 1 2 266.344 3.924 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894002830 1121454349 /nfs/dbraw/zinc/45/43/49/1121454349.db2.gz WXELKOFKJKCTEG-SECBINFHSA-N 1 2 279.796 3.684 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894002830 1121454350 /nfs/dbraw/zinc/45/43/50/1121454350.db2.gz WXELKOFKJKCTEG-SECBINFHSA-N 1 2 279.796 3.684 20 30 CHEDLO C=CCn1ncc2ccc(NCc3c[nH+]cn3C(C)C)cc21 ZINC000922901536 1121483882 /nfs/dbraw/zinc/48/38/82/1121483882.db2.gz WZQMOTRATLCYJB-UHFFFAOYSA-N 1 2 295.390 3.612 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccco1 ZINC000671749722 1121598999 /nfs/dbraw/zinc/59/89/99/1121598999.db2.gz LQAHMNIJQOZPMB-ZDUSSCGKSA-N 1 2 291.420 3.599 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)s1 ZINC000611274508 1121633219 /nfs/dbraw/zinc/63/32/19/1121633219.db2.gz GRBHNKRTDQMIQS-HNNXBMFYSA-N 1 2 272.348 3.706 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)s1 ZINC000611274508 1121633222 /nfs/dbraw/zinc/63/32/22/1121633222.db2.gz GRBHNKRTDQMIQS-HNNXBMFYSA-N 1 2 272.348 3.706 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300915 1121640672 /nfs/dbraw/zinc/64/06/72/1121640672.db2.gz FOTIGKSRTLIOSO-HIFRSBDPSA-N 1 2 287.794 3.573 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300915 1121640674 /nfs/dbraw/zinc/64/06/74/1121640674.db2.gz FOTIGKSRTLIOSO-HIFRSBDPSA-N 1 2 287.794 3.573 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(F)c(C#N)c2)c1 ZINC001176614730 1121661041 /nfs/dbraw/zinc/66/10/41/1121661041.db2.gz VQFGTHJGVFIAMY-UHFFFAOYSA-N 1 2 255.296 3.788 20 30 CHEDLO N#Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC001176616148 1121661592 /nfs/dbraw/zinc/66/15/92/1121661592.db2.gz YJBXVWVSXJUWHX-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO CCSc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC001307602302 1121666890 /nfs/dbraw/zinc/66/68/90/1121666890.db2.gz QIKGAAWWNGIAHY-INIZCTEOSA-N 1 2 274.433 3.924 20 30 CHEDLO CCSc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001307602302 1121666891 /nfs/dbraw/zinc/66/68/91/1121666891.db2.gz QIKGAAWWNGIAHY-INIZCTEOSA-N 1 2 274.433 3.924 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000397592704 1121689818 /nfs/dbraw/zinc/68/98/18/1121689818.db2.gz COMVLXHGPBEEEC-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000397592704 1121689820 /nfs/dbraw/zinc/68/98/20/1121689820.db2.gz COMVLXHGPBEEEC-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000727260209 1121711131 /nfs/dbraw/zinc/71/11/31/1121711131.db2.gz SIFJBEXPGJGUPI-UHFFFAOYSA-N 1 2 294.402 3.826 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCSC(C)(C)C)c(O)c1 ZINC000727265759 1121712094 /nfs/dbraw/zinc/71/20/94/1121712094.db2.gz XKSLYXUFOHULSQ-LFIBNONCSA-N 1 2 281.421 3.742 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCSC(C)(C)C)c1O ZINC000727265805 1121712169 /nfs/dbraw/zinc/71/21/69/1121712169.db2.gz ZYZGTGUDQLLZHC-LFIBNONCSA-N 1 2 281.421 3.742 20 30 CHEDLO Cc1cc(F)ccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730146319 1121795199 /nfs/dbraw/zinc/79/51/99/1121795199.db2.gz PWNDVXNUZCVVFI-UHFFFAOYSA-N 1 2 279.318 3.550 20 30 CHEDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cs1 ZINC000619755312 1129010517 /nfs/dbraw/zinc/01/05/17/1129010517.db2.gz WRZCAWOKOXESMU-VIFPVBQESA-N 1 2 291.807 3.827 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCc2ccccc21 ZINC000731938520 1121897850 /nfs/dbraw/zinc/89/78/50/1121897850.db2.gz UDCNPQQUUMPHOZ-QCUKBLKESA-N 1 2 251.329 3.541 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC001180029545 1121938334 /nfs/dbraw/zinc/93/83/34/1121938334.db2.gz AXLCGEPXFTYWBC-UHFFFAOYSA-N 1 2 285.435 3.722 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC001180029545 1121938342 /nfs/dbraw/zinc/93/83/42/1121938342.db2.gz AXLCGEPXFTYWBC-UHFFFAOYSA-N 1 2 285.435 3.722 20 30 CHEDLO C=CC[N@@H+](Cc1cccc(F)c1N)Cc1ccccc1F ZINC001180173314 1121955268 /nfs/dbraw/zinc/95/52/68/1121955268.db2.gz FEZIQPQAZFMFCJ-UHFFFAOYSA-N 1 2 288.341 3.735 20 30 CHEDLO C=CC[N@H+](Cc1cccc(F)c1N)Cc1ccccc1F ZINC001180173314 1121955275 /nfs/dbraw/zinc/95/52/75/1121955275.db2.gz FEZIQPQAZFMFCJ-UHFFFAOYSA-N 1 2 288.341 3.735 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@H](CC)CCCC)C(=O)OCC ZINC001183312520 1122217533 /nfs/dbraw/zinc/21/75/33/1122217533.db2.gz KZMCDKILRDOSSK-OLZOCXBDSA-N 1 2 275.820 3.619 20 30 CHEDLO Cc1ccc(C)c(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001185042727 1122313053 /nfs/dbraw/zinc/31/30/53/1122313053.db2.gz HHRQZJGUAOTYHN-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc3nc(C#N)sc3c2)c1 ZINC001203663915 1122430976 /nfs/dbraw/zinc/43/09/76/1122430976.db2.gz YWSCTZRGROJCNM-UHFFFAOYSA-N 1 2 280.356 3.923 20 30 CHEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000425529890 1122544797 /nfs/dbraw/zinc/54/47/97/1122544797.db2.gz CYJFJELOXOUQGF-NSHDSACASA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000425529890 1122544800 /nfs/dbraw/zinc/54/48/00/1122544800.db2.gz CYJFJELOXOUQGF-NSHDSACASA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1nc(C[NH2+][C@@H](CCC#N)c2ccccc2)sc1C ZINC000775554649 1122660902 /nfs/dbraw/zinc/66/09/02/1122660902.db2.gz YNWNGBLLGGQFSR-HNNXBMFYSA-N 1 2 285.416 3.895 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925026076 1122661877 /nfs/dbraw/zinc/66/18/77/1122661877.db2.gz CMTXRDXULNXGLV-HNNXBMFYSA-N 1 2 298.386 3.715 20 30 CHEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CCC(F)(F)F ZINC000438784881 1122724024 /nfs/dbraw/zinc/72/40/24/1122724024.db2.gz LMQRDHTXVHOSRR-UHFFFAOYSA-N 1 2 275.701 3.576 20 30 CHEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CCC(F)(F)F ZINC000438784881 1122724028 /nfs/dbraw/zinc/72/40/28/1122724028.db2.gz LMQRDHTXVHOSRR-UHFFFAOYSA-N 1 2 275.701 3.576 20 30 CHEDLO C=CC[N@@H+](C)Cc1oc2ccccc2c1Br ZINC001193606681 1122705834 /nfs/dbraw/zinc/70/58/34/1122705834.db2.gz QTTBAMOVJRNNMF-UHFFFAOYSA-N 1 2 280.165 3.813 20 30 CHEDLO C=CC[N@H+](C)Cc1oc2ccccc2c1Br ZINC001193606681 1122705837 /nfs/dbraw/zinc/70/58/37/1122705837.db2.gz QTTBAMOVJRNNMF-UHFFFAOYSA-N 1 2 280.165 3.813 20 30 CHEDLO CCCCCCCOC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001194020328 1122740329 /nfs/dbraw/zinc/74/03/29/1122740329.db2.gz USKYIIWCSKXNGX-UHFFFAOYSA-N 1 2 289.379 3.531 20 30 CHEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439436566 1122778520 /nfs/dbraw/zinc/77/85/20/1122778520.db2.gz IHJWHEQVDXQHIK-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439436566 1122778522 /nfs/dbraw/zinc/77/85/22/1122778522.db2.gz IHJWHEQVDXQHIK-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@]1(F)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001194598949 1122785089 /nfs/dbraw/zinc/78/50/89/1122785089.db2.gz HYKZPTSAIRDUMU-HNNXBMFYSA-N 1 2 265.759 3.516 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001194598949 1122785092 /nfs/dbraw/zinc/78/50/92/1122785092.db2.gz HYKZPTSAIRDUMU-HNNXBMFYSA-N 1 2 265.759 3.516 20 30 CHEDLO Cc1cccc(OCCC/[NH+]=C/c2cccc(O)c2O)c1C ZINC000775739526 1122930396 /nfs/dbraw/zinc/93/03/96/1122930396.db2.gz GHVYMDMOYBXXLN-XDHOZWIPSA-N 1 2 299.370 3.603 20 30 CHEDLO Cc1cccc(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001203887539 1122971180 /nfs/dbraw/zinc/97/11/80/1122971180.db2.gz KXNLEJWPKCUJAW-UHFFFAOYSA-N 1 2 264.372 3.911 20 30 CHEDLO Cc1cccc(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001203887539 1122971182 /nfs/dbraw/zinc/97/11/82/1122971182.db2.gz KXNLEJWPKCUJAW-UHFFFAOYSA-N 1 2 264.372 3.911 20 30 CHEDLO Nc1ccc(Nc2ccccc2C#Cc2ccccc2)c[nH+]1 ZINC001201292561 1123084268 /nfs/dbraw/zinc/08/42/68/1123084268.db2.gz PQRPUUKHPXAWJB-UHFFFAOYSA-N 1 2 285.350 3.807 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2c(C#N)cccc2C#N)cc1 ZINC001201497829 1123111247 /nfs/dbraw/zinc/11/12/47/1123111247.db2.gz KIYWLRVHZSRYFZ-UHFFFAOYSA-N 1 2 276.343 3.994 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895560360 1123492329 /nfs/dbraw/zinc/49/23/29/1123492329.db2.gz ROYVSMVEVFFROZ-SECBINFHSA-N 1 2 276.327 3.560 20 30 CHEDLO C=CC[C@@H]1CC[N@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895560360 1123492333 /nfs/dbraw/zinc/49/23/33/1123492333.db2.gz ROYVSMVEVFFROZ-SECBINFHSA-N 1 2 276.327 3.560 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C)cs1)[C@H]1CCc2ccccc21 ZINC000081665710 1129136758 /nfs/dbraw/zinc/13/67/58/1129136758.db2.gz RSRNBLKZYOGSIX-INIZCTEOSA-N 1 2 282.412 3.574 20 30 CHEDLO C#CC[N@H+](Cc1nc(C)cs1)[C@H]1CCc2ccccc21 ZINC000081665710 1129136761 /nfs/dbraw/zinc/13/67/61/1129136761.db2.gz RSRNBLKZYOGSIX-INIZCTEOSA-N 1 2 282.412 3.574 20 30 CHEDLO Cc1ccc(C#N)cc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000346343824 1123682547 /nfs/dbraw/zinc/68/25/47/1123682547.db2.gz XYXJOCORAHXLKT-UHFFFAOYSA-N 1 2 294.383 3.726 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(Cl)c1 ZINC000195411524 1129145474 /nfs/dbraw/zinc/14/54/74/1129145474.db2.gz UGOLPZVQDLFDHT-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccnc(Cl)c1 ZINC000195411524 1129145476 /nfs/dbraw/zinc/14/54/76/1129145476.db2.gz UGOLPZVQDLFDHT-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000339052781 1123847888 /nfs/dbraw/zinc/84/78/88/1123847888.db2.gz XTTVAPJOKYVYES-AWEZNQCLSA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000339052781 1123847893 /nfs/dbraw/zinc/84/78/93/1123847893.db2.gz XTTVAPJOKYVYES-AWEZNQCLSA-N 1 2 285.435 3.891 20 30 CHEDLO CC[C@H](C)c1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000863197964 1123850874 /nfs/dbraw/zinc/85/08/74/1123850874.db2.gz ZGFZDAQUZJDWED-BCPZQOPPSA-N 1 2 254.333 3.819 20 30 CHEDLO Cc1ccc(CSCc2cc[nH+]c(N(C)C)c2)cc1C#N ZINC000863395155 1123867151 /nfs/dbraw/zinc/86/71/51/1123867151.db2.gz CHJMTRIQHBMQOI-UHFFFAOYSA-N 1 2 297.427 3.761 20 30 CHEDLO C[C@@H]1COCC[C@@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000794677974 1123926716 /nfs/dbraw/zinc/92/67/16/1123926716.db2.gz YSMWDGKRTOJUQA-SYCAWLLHSA-N 1 2 283.371 3.637 20 30 CHEDLO C=CC1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000302499700 1123970596 /nfs/dbraw/zinc/97/05/96/1123970596.db2.gz CINXNWVQLYRCFY-UHFFFAOYSA-N 1 2 268.360 3.646 20 30 CHEDLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214090 1124037390 /nfs/dbraw/zinc/03/73/90/1124037390.db2.gz IKAOFGHYUSVWQL-KGLIPLIRSA-N 1 2 280.371 3.984 20 30 CHEDLO C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866222425 1124038745 /nfs/dbraw/zinc/03/87/45/1124038745.db2.gz DAVLRERRWLVJRF-NEPJUHHUSA-N 1 2 286.400 3.607 20 30 CHEDLO CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866243348 1124040912 /nfs/dbraw/zinc/04/09/12/1124040912.db2.gz YLOMQLMQRXXRJH-CYBMUJFWSA-N 1 2 296.370 3.513 20 30 CHEDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866238382 1124041022 /nfs/dbraw/zinc/04/10/22/1124041022.db2.gz MRDCUHSLOZZKNF-KGLIPLIRSA-N 1 2 280.371 3.984 20 30 CHEDLO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CC2 ZINC000866294834 1124048552 /nfs/dbraw/zinc/04/85/52/1124048552.db2.gz XCMRRYSJIMBGJV-ACJLOTCBSA-N 1 2 292.382 3.910 20 30 CHEDLO Cc1cccc(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866305024 1124049372 /nfs/dbraw/zinc/04/93/72/1124049372.db2.gz CKMMVJOJRRHEIB-CQSZACIVSA-N 1 2 280.371 3.732 20 30 CHEDLO Cc1cc(C[N@@H+](C)Cc2cc(F)ccc2C#N)ccc1F ZINC000444730834 1124056326 /nfs/dbraw/zinc/05/63/26/1124056326.db2.gz FSBZKGZTBFMLQW-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(C[N@H+](C)Cc2cc(F)ccc2C#N)ccc1F ZINC000444730834 1124056329 /nfs/dbraw/zinc/05/63/29/1124056329.db2.gz FSBZKGZTBFMLQW-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CCc1cc(C[N@@H+]2Cc3ccc(OC)cc3C2)ccc1C#N ZINC001238779037 1131245096 /nfs/dbraw/zinc/24/50/96/1131245096.db2.gz SRBBLSSUHFDDMF-UHFFFAOYSA-N 1 2 292.382 3.645 20 30 CHEDLO CCc1cc(C[N@H+]2Cc3ccc(OC)cc3C2)ccc1C#N ZINC001238779037 1131245098 /nfs/dbraw/zinc/24/50/98/1131245098.db2.gz SRBBLSSUHFDDMF-UHFFFAOYSA-N 1 2 292.382 3.645 20 30 CHEDLO CC(C)c1ocnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001119294342 1131250156 /nfs/dbraw/zinc/25/01/56/1131250156.db2.gz TZUTWJHRRNJGLL-LBPRGKRZSA-N 1 2 269.348 3.520 20 30 CHEDLO CC[C@H]([NH2+]CCCC(F)(F)F)c1cccc(C#N)c1O ZINC000925192988 1124455255 /nfs/dbraw/zinc/45/52/55/1124455255.db2.gz XYWZOCIQQSPAHV-LBPRGKRZSA-N 1 2 286.297 3.647 20 30 CHEDLO C=CCCCC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000449239999 1124678925 /nfs/dbraw/zinc/67/89/25/1124678925.db2.gz XJDPHCJRWRRSDG-ZBFHGGJFSA-N 1 2 284.407 3.619 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1F ZINC000820605448 1131296176 /nfs/dbraw/zinc/29/61/76/1131296176.db2.gz RWDUJTKFHWFXDK-UHFFFAOYSA-N 1 2 284.334 3.625 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c1 ZINC000125274443 1124877336 /nfs/dbraw/zinc/87/73/36/1124877336.db2.gz YZOAOQQFOFWAHU-CMDGGOBGSA-N 1 2 276.339 3.847 20 30 CHEDLO SCCCNc1[nH+]ccc2cccc(Cl)c21 ZINC001159869984 1131320052 /nfs/dbraw/zinc/32/00/52/1131320052.db2.gz ZNGFJIGRKSZQHF-UHFFFAOYSA-N 1 2 252.770 3.620 20 30 CHEDLO CC(C)[N@H+](Cc1ccccc1F)CC1(C#N)CCC1 ZINC000450301136 1124972721 /nfs/dbraw/zinc/97/27/21/1124972721.db2.gz IIYXCMYDIATWSK-UHFFFAOYSA-N 1 2 260.356 3.730 20 30 CHEDLO CC(C)[N@@H+](Cc1ccccc1F)CC1(C#N)CCC1 ZINC000450301136 1124972723 /nfs/dbraw/zinc/97/27/23/1124972723.db2.gz IIYXCMYDIATWSK-UHFFFAOYSA-N 1 2 260.356 3.730 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000876736375 1124973832 /nfs/dbraw/zinc/97/38/32/1124973832.db2.gz KJHRNMWUEGPSNO-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000876736375 1124973834 /nfs/dbraw/zinc/97/38/34/1124973834.db2.gz KJHRNMWUEGPSNO-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#CCC[C@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1 ZINC000877115116 1125009848 /nfs/dbraw/zinc/00/98/48/1125009848.db2.gz BNOFLVSTPBASKA-LBPRGKRZSA-N 1 2 291.807 3.931 20 30 CHEDLO CN1CCCc2cc([NH2+]C3CCC(C#N)CC3)ccc21 ZINC000877159844 1125014691 /nfs/dbraw/zinc/01/46/91/1125014691.db2.gz NGCBWYSOKJCFEC-UHFFFAOYSA-N 1 2 269.392 3.563 20 30 CHEDLO C[N@@H+]1CCCc2cc(NC3CCC(C#N)CC3)ccc21 ZINC000877159844 1125014700 /nfs/dbraw/zinc/01/47/00/1125014700.db2.gz NGCBWYSOKJCFEC-UHFFFAOYSA-N 1 2 269.392 3.563 20 30 CHEDLO C[N@H+]1CCCc2cc(NC3CCC(C#N)CC3)ccc21 ZINC000877159844 1125014711 /nfs/dbraw/zinc/01/47/11/1125014711.db2.gz NGCBWYSOKJCFEC-UHFFFAOYSA-N 1 2 269.392 3.563 20 30 CHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC2(C#N)CCC2)s1 ZINC000450434409 1125024051 /nfs/dbraw/zinc/02/40/51/1125024051.db2.gz MSVWYANJMFVOCJ-GFCCVEGCSA-N 1 2 277.437 3.701 20 30 CHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC2(C#N)CCC2)s1 ZINC000450434409 1125024056 /nfs/dbraw/zinc/02/40/56/1125024056.db2.gz MSVWYANJMFVOCJ-GFCCVEGCSA-N 1 2 277.437 3.701 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3cc(F)cc(F)c3)c[nH+]c12 ZINC000126508704 1125026214 /nfs/dbraw/zinc/02/62/14/1125026214.db2.gz KLPSIPYEIINVTK-SNAWJCMRSA-N 1 2 298.292 3.817 20 30 CHEDLO N#CCC[N@H+](CCC1=CCCCC1)Cc1ccco1 ZINC000450464433 1125035372 /nfs/dbraw/zinc/03/53/72/1125035372.db2.gz YUSWEAQARCTIAN-UHFFFAOYSA-N 1 2 258.365 3.886 20 30 CHEDLO N#CCC[N@@H+](CCC1=CCCCC1)Cc1ccco1 ZINC000450464433 1125035378 /nfs/dbraw/zinc/03/53/78/1125035378.db2.gz YUSWEAQARCTIAN-UHFFFAOYSA-N 1 2 258.365 3.886 20 30 CHEDLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000879748081 1125229087 /nfs/dbraw/zinc/22/90/87/1125229087.db2.gz YFMISZDUMZQGLB-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000879748081 1125229091 /nfs/dbraw/zinc/22/90/91/1125229091.db2.gz YFMISZDUMZQGLB-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000532344032 1125249085 /nfs/dbraw/zinc/24/90/85/1125249085.db2.gz BMJVJSGJANLOHS-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000532344032 1125249089 /nfs/dbraw/zinc/24/90/89/1125249089.db2.gz BMJVJSGJANLOHS-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1cc(N[C@H]2CCc3ccc(C#N)cc32)c[nH+]c1C ZINC000883342660 1125398353 /nfs/dbraw/zinc/39/83/53/1125398353.db2.gz HIYLDYFMHCSGIH-KRWDZBQOSA-N 1 2 263.344 3.670 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1cc(C#N)ccn1 ZINC001168235662 1125421842 /nfs/dbraw/zinc/42/18/42/1125421842.db2.gz WVKGHCMWGAVGKS-CHWSQXEVSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1cc(C#N)ccn1 ZINC001168235662 1125421844 /nfs/dbraw/zinc/42/18/44/1125421844.db2.gz WVKGHCMWGAVGKS-CHWSQXEVSA-N 1 2 295.361 3.600 20 30 CHEDLO Cc1ccc2c(Nc3c(C)ccnc3C#N)cccc2[nH+]1 ZINC001212796772 1125425930 /nfs/dbraw/zinc/42/59/30/1125425930.db2.gz BOBKHDNAOIXBSL-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO Cc1ccc2c(Nc3cc(C#N)ccc3O)cccc2[nH+]1 ZINC001212797823 1125445339 /nfs/dbraw/zinc/44/53/39/1125445339.db2.gz MIUSJNNDCFKIKF-UHFFFAOYSA-N 1 2 275.311 3.864 20 30 CHEDLO Cc1ccc2c(Nc3ccc(C#N)cc3O)cccc2[nH+]1 ZINC001212797901 1125447728 /nfs/dbraw/zinc/44/77/28/1125447728.db2.gz QZHPTXPOCYDMSJ-UHFFFAOYSA-N 1 2 275.311 3.864 20 30 CHEDLO CC(=[NH+]Nc1cc(F)c(F)cc1F)c1ccc(N)cc1 ZINC000734301657 1129300391 /nfs/dbraw/zinc/30/03/91/1129300391.db2.gz KGFGCIFWXQLLCA-UHFFFAOYSA-N 1 2 279.265 3.522 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CC2Cc3ccccc3C2)c1O ZINC000735228459 1129335246 /nfs/dbraw/zinc/33/52/46/1129335246.db2.gz BOVXPIWOPQSXBR-MOSHPQCFSA-N 1 2 295.382 3.625 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(F)c2)cc1C#N ZINC001239536076 1131371985 /nfs/dbraw/zinc/37/19/85/1131371985.db2.gz CEWHGUAHSXHPHG-YBFXNURJSA-N 1 2 267.307 3.586 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000093100518 1129417106 /nfs/dbraw/zinc/41/71/06/1129417106.db2.gz HDVYRUXCRZNPGE-HKUYNNGSSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000093100518 1129417109 /nfs/dbraw/zinc/41/71/09/1129417109.db2.gz HDVYRUXCRZNPGE-HKUYNNGSSA-N 1 2 291.398 3.601 20 30 CHEDLO COc1ccc2c(c1)CCCC[N@H+]2CCCCC#N ZINC000766270930 1129433872 /nfs/dbraw/zinc/43/38/72/1129433872.db2.gz WZZTZCPBYNMKIK-UHFFFAOYSA-N 1 2 258.365 3.532 20 30 CHEDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCCC#N ZINC000766270930 1129433875 /nfs/dbraw/zinc/43/38/75/1129433875.db2.gz WZZTZCPBYNMKIK-UHFFFAOYSA-N 1 2 258.365 3.532 20 30 CHEDLO Cc1cccn2c(/C=C3\Cc4c(cccc4F)C3=O)c[nH+]c12 ZINC000741468392 1129436730 /nfs/dbraw/zinc/43/67/30/1129436730.db2.gz SIIUCUYIUPNMMV-XYOKQWHBSA-N 1 2 292.313 3.604 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(O)c(C)c3)c[nH+]c12 ZINC000741468302 1129436983 /nfs/dbraw/zinc/43/69/83/1129436983.db2.gz VKXRHZZHHFMGDM-VURMDHGXSA-N 1 2 292.338 3.553 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CC(C2CC2)C2CC2)c(O)c1 ZINC000743044559 1129512054 /nfs/dbraw/zinc/51/20/54/1129512054.db2.gz LPPORJSHINRQPA-VCHYOVAHSA-N 1 2 273.376 3.646 20 30 CHEDLO C=C(C)CNc1[nH+]cccc1OCc1ccccc1 ZINC001155660793 1129583139 /nfs/dbraw/zinc/58/31/39/1129583139.db2.gz MFERLARDWYKRMC-UHFFFAOYSA-N 1 2 254.333 3.649 20 30 CHEDLO C=C(C)C[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1 ZINC000649595733 1129661757 /nfs/dbraw/zinc/66/17/57/1129661757.db2.gz XBSYKYYBHIELCK-UHFFFAOYSA-N 1 2 295.430 3.798 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1 ZINC000649595733 1129661759 /nfs/dbraw/zinc/66/17/59/1129661759.db2.gz XBSYKYYBHIELCK-UHFFFAOYSA-N 1 2 295.430 3.798 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001169243877 1129712486 /nfs/dbraw/zinc/71/24/86/1129712486.db2.gz WSWDGARPHDLIRO-UHFFFAOYSA-N 1 2 264.438 3.593 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001169243877 1129712487 /nfs/dbraw/zinc/71/24/87/1129712487.db2.gz WSWDGARPHDLIRO-UHFFFAOYSA-N 1 2 264.438 3.593 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001169952136 1129767397 /nfs/dbraw/zinc/76/73/97/1129767397.db2.gz WZZUZIJIRJEZLG-UHFFFAOYSA-N 1 2 295.386 3.616 20 30 CHEDLO C=CC[N@@H+](C/C=C(/C)C(=O)OC)Cc1ccc(Cl)s1 ZINC000746493918 1129831570 /nfs/dbraw/zinc/83/15/70/1129831570.db2.gz LHVISLORMMACMH-XFFZJAGNSA-N 1 2 299.823 3.509 20 30 CHEDLO C=CC[N@H+](C/C=C(/C)C(=O)OC)Cc1ccc(Cl)s1 ZINC000746493918 1129831576 /nfs/dbraw/zinc/83/15/76/1129831576.db2.gz LHVISLORMMACMH-XFFZJAGNSA-N 1 2 299.823 3.509 20 30 CHEDLO COc1cccc(/C=[NH+]\CCc2cccc3[nH]ccc32)c1O ZINC000800722217 1129886087 /nfs/dbraw/zinc/88/60/87/1129886087.db2.gz ZUJVQZAXLPEEHD-UNOMPAQXSA-N 1 2 294.354 3.544 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000769334926 1129903240 /nfs/dbraw/zinc/90/32/40/1129903240.db2.gz HSBZEESQEQTNLQ-UHFFFAOYSA-N 1 2 280.799 3.807 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000769334926 1129903242 /nfs/dbraw/zinc/90/32/42/1129903242.db2.gz HSBZEESQEQTNLQ-UHFFFAOYSA-N 1 2 280.799 3.807 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1ccccc1N(C)C ZINC000769570343 1129917783 /nfs/dbraw/zinc/91/77/83/1129917783.db2.gz PNKJUFZPLBTLHH-UHFFFAOYSA-N 1 2 271.339 3.728 20 30 CHEDLO O=C1c2cccc(Cl)c2O/C1=C\c1cccc2[nH+]ccn21 ZINC000769611072 1129919171 /nfs/dbraw/zinc/91/91/71/1129919171.db2.gz VKXUKDRCLJZCKF-LCYFTJDESA-N 1 2 296.713 3.604 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2ccccc2C1=O ZINC000901416386 1129922621 /nfs/dbraw/zinc/92/26/21/1129922621.db2.gz GPOOQHCHWFSGNI-ZROIWOOFSA-N 1 2 266.344 3.677 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(C)cc2C)[nH+]c1C ZINC000901430148 1129924224 /nfs/dbraw/zinc/92/42/24/1129924224.db2.gz IIGZLFJKKAGYRF-BQYQJAHWSA-N 1 2 254.333 3.539 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CSc2ccccc2C1=O ZINC000901428491 1129924480 /nfs/dbraw/zinc/92/44/80/1129924480.db2.gz GYUHYBQDZLKTTR-KPKJPENVSA-N 1 2 284.384 3.836 20 30 CHEDLO COc1cc(C)ccc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901452737 1129927042 /nfs/dbraw/zinc/92/70/42/1129927042.db2.gz ZOQJYFKJMGXOSF-SOFGYWHQSA-N 1 2 284.359 3.677 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1C ZINC000901476579 1129928419 /nfs/dbraw/zinc/92/84/19/1129928419.db2.gz JPDZNWAXJNYGQT-CMDGGOBGSA-N 1 2 268.360 3.977 20 30 CHEDLO Cc1[nH]c(/C=C2\CCOc3c(C)cc(C)cc3C2=O)[nH+]c1C ZINC000901486083 1129929317 /nfs/dbraw/zinc/92/93/17/1129929317.db2.gz WIHMPSURTKFRRI-NTEUORMPSA-N 1 2 296.370 3.692 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2ccc(F)cc2C1=O ZINC000901490628 1129930295 /nfs/dbraw/zinc/93/02/95/1129930295.db2.gz PNPKYCPQHIRLGO-QPEQYQDCSA-N 1 2 284.334 3.816 20 30 CHEDLO COc1ccc2c(c1)C(C)(C)/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901499459 1129931648 /nfs/dbraw/zinc/93/16/48/1129931648.db2.gz GAQOACXGBTZEGS-OQLLNIDSSA-N 1 2 296.370 3.593 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000769978049 1129934024 /nfs/dbraw/zinc/93/40/24/1129934024.db2.gz ODZLIJYTJXPAFT-CYBMUJFWSA-N 1 2 284.428 3.826 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000769978049 1129934026 /nfs/dbraw/zinc/93/40/26/1129934026.db2.gz ODZLIJYTJXPAFT-CYBMUJFWSA-N 1 2 284.428 3.826 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(C(F)F)nc1 ZINC000901540786 1129935007 /nfs/dbraw/zinc/93/50/07/1129935007.db2.gz CXKOYKMGZSBYHD-XQRVVYSFSA-N 1 2 291.301 3.693 20 30 CHEDLO Cn1c[nH+]cc1/C=C1\C(=O)c2ccccc2SC1(C)C ZINC000901543276 1129935437 /nfs/dbraw/zinc/93/54/37/1129935437.db2.gz FHRSAKUALYDCBB-MDWZMJQESA-N 1 2 284.384 3.571 20 30 CHEDLO Cc1ccc(O)c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c1 ZINC000771860986 1129991839 /nfs/dbraw/zinc/99/18/39/1129991839.db2.gz UMKCECKIOSCTOG-ALCCZGGFSA-N 1 2 292.338 3.553 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4c(cccc4F)C3=O)n2c1 ZINC000771860191 1129994475 /nfs/dbraw/zinc/99/44/75/1129994475.db2.gz PXAPPLWCJBTPSU-KPKJPENVSA-N 1 2 292.313 3.604 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000785996615 1130073314 /nfs/dbraw/zinc/07/33/14/1130073314.db2.gz GBLFQISYEFHNJO-CQSZACIVSA-N 1 2 293.794 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000785996615 1130073318 /nfs/dbraw/zinc/07/33/18/1130073318.db2.gz GBLFQISYEFHNJO-CQSZACIVSA-N 1 2 293.794 3.789 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Br)ccc1F ZINC000903105577 1130113582 /nfs/dbraw/zinc/11/35/82/1130113582.db2.gz FBERPGIZMCRVNZ-SECBINFHSA-N 1 2 297.171 3.543 20 30 CHEDLO C[C@@H](Nc1cccc(C2CC2)[nH+]1)c1cccc(C#N)c1O ZINC000903268127 1130140371 /nfs/dbraw/zinc/14/03/71/1130140371.db2.gz QTYAPJISAPMWDL-LLVKDONJSA-N 1 2 279.343 3.709 20 30 CHEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Cl)c1O ZINC000787330863 1130144728 /nfs/dbraw/zinc/14/47/28/1130144728.db2.gz FJVUIHGIJBSTEH-INIZCTEOSA-N 1 2 298.773 3.694 20 30 CHEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1F ZINC001170094132 1130221451 /nfs/dbraw/zinc/22/14/51/1130221451.db2.gz GITRTYFMBVTCMZ-UHFFFAOYSA-N 1 2 271.310 3.600 20 30 CHEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1F ZINC001170094132 1130221458 /nfs/dbraw/zinc/22/14/58/1130221458.db2.gz GITRTYFMBVTCMZ-UHFFFAOYSA-N 1 2 271.310 3.600 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc(Cl)ccc1OC(F)F ZINC000748441111 1130233423 /nfs/dbraw/zinc/23/34/23/1130233423.db2.gz IOKREGDBHDUJNR-DUXPYHPUSA-N 1 2 298.676 3.561 20 30 CHEDLO C=C[C@@H](CC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000677549161 1130316461 /nfs/dbraw/zinc/31/64/61/1130316461.db2.gz GVCCXVRBPXZTSM-AWEZNQCLSA-N 1 2 291.354 3.633 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496385 1130327942 /nfs/dbraw/zinc/32/79/42/1130327942.db2.gz LNWDUVWAEPGALU-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1ccc(N)cc1C ZINC000758117080 1130597987 /nfs/dbraw/zinc/59/79/87/1130597987.db2.gz JASUDCJEXBRNAU-UHFFFAOYSA-N 1 2 293.292 3.831 20 30 CHEDLO CCOC(=[NH2+])c1ccc(O[C@@H](C)CC(C)(C)S)cc1 ZINC001234589875 1130659736 /nfs/dbraw/zinc/65/97/36/1130659736.db2.gz NSBVNBPLSHSWMS-NSHDSACASA-N 1 2 281.421 3.914 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000812459550 1130693652 /nfs/dbraw/zinc/69/36/52/1130693652.db2.gz AFXXHJISQLGGAE-UHFFFAOYSA-N 1 2 271.339 3.728 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000812792489 1130714888 /nfs/dbraw/zinc/71/48/88/1130714888.db2.gz BPUFFXGGOIMRPA-INIZCTEOSA-N 1 2 273.738 3.943 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000812792491 1130715378 /nfs/dbraw/zinc/71/53/78/1130715378.db2.gz BPUFFXGGOIMRPA-MRXNPFEDSA-N 1 2 273.738 3.943 20 30 CHEDLO CC(C)c1nc(C[N@H+](C)Cc2ccccc2CC#N)cs1 ZINC001235524776 1130751092 /nfs/dbraw/zinc/75/10/92/1130751092.db2.gz AMSXBHUWHLOKTC-UHFFFAOYSA-N 1 2 299.443 3.965 20 30 CHEDLO CC(C)c1nc(C[N@@H+](C)Cc2ccccc2CC#N)cs1 ZINC001235524776 1130751094 /nfs/dbraw/zinc/75/10/94/1130751094.db2.gz AMSXBHUWHLOKTC-UHFFFAOYSA-N 1 2 299.443 3.965 20 30 CHEDLO CCCCCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000813858740 1130790195 /nfs/dbraw/zinc/79/01/95/1130790195.db2.gz IWAGCBNNYQUDFM-OAHLLOKOSA-N 1 2 278.444 3.986 20 30 CHEDLO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(N)cc1Cl ZINC000782908742 1130792214 /nfs/dbraw/zinc/79/22/14/1130792214.db2.gz VBTDOIDEMLSUSM-UHFFFAOYSA-N 1 2 299.765 3.635 20 30 CHEDLO O=C1c2ccccc2C/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783697817 1130847670 /nfs/dbraw/zinc/84/76/70/1130847670.db2.gz RKCIXVKMBHTGGT-MDWZMJQESA-N 1 2 292.363 3.756 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1 ZINC000783696130 1130848672 /nfs/dbraw/zinc/84/86/72/1130848672.db2.gz DXEHRBDYTJAKQC-SNAWJCMRSA-N 1 2 298.342 3.969 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000814294194 1130857659 /nfs/dbraw/zinc/85/76/59/1130857659.db2.gz NTLQARWOOLLHMK-UHFFFAOYSA-N 1 2 280.780 3.668 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237019293 1131036745 /nfs/dbraw/zinc/03/67/45/1131036745.db2.gz ZHTJJJBWYKFXCZ-CYBMUJFWSA-N 1 2 297.789 3.747 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237019293 1131036751 /nfs/dbraw/zinc/03/67/51/1131036751.db2.gz ZHTJJJBWYKFXCZ-CYBMUJFWSA-N 1 2 297.789 3.747 20 30 CHEDLO C=CC[C@H](CC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798958757 1131065255 /nfs/dbraw/zinc/06/52/55/1131065255.db2.gz JZKJPBUZZPSEHB-NSHDSACASA-N 1 2 257.736 3.629 20 30 CHEDLO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000798936869 1131063359 /nfs/dbraw/zinc/06/33/59/1131063359.db2.gz MEJWDVACIACELR-KOLCDFICSA-N 1 2 255.308 3.676 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccccc1CCc1ccccc1 ZINC001237298894 1131079894 /nfs/dbraw/zinc/07/98/94/1131079894.db2.gz QQYCULQBWVEMCI-UHFFFAOYSA-N 1 2 278.399 3.817 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccccc1CCc1ccccc1 ZINC001237298894 1131079899 /nfs/dbraw/zinc/07/98/99/1131079899.db2.gz QQYCULQBWVEMCI-UHFFFAOYSA-N 1 2 278.399 3.817 20 30 CHEDLO C=C(Br)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817282317 1131151292 /nfs/dbraw/zinc/15/12/92/1131151292.db2.gz ZPZVCACBBGULSF-SECBINFHSA-N 1 2 286.135 3.559 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817282317 1131151295 /nfs/dbraw/zinc/15/12/95/1131151295.db2.gz ZPZVCACBBGULSF-SECBINFHSA-N 1 2 286.135 3.559 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238068967 1131167250 /nfs/dbraw/zinc/16/72/50/1131167250.db2.gz JDPRXWRYEHVGQN-GOSISDBHSA-N 1 2 298.430 3.991 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238068967 1131167254 /nfs/dbraw/zinc/16/72/54/1131167254.db2.gz JDPRXWRYEHVGQN-GOSISDBHSA-N 1 2 298.430 3.991 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1c(F)ccnc1Cl ZINC001238235532 1131184700 /nfs/dbraw/zinc/18/47/00/1131184700.db2.gz UMGZUVZDHCVBGP-UHFFFAOYSA-N 1 2 256.752 3.662 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1c(F)ccnc1Cl ZINC001238235532 1131184703 /nfs/dbraw/zinc/18/47/03/1131184703.db2.gz UMGZUVZDHCVBGP-UHFFFAOYSA-N 1 2 256.752 3.662 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(OCC)cc1Cl ZINC001238398489 1131195621 /nfs/dbraw/zinc/19/56/21/1131195621.db2.gz BFLYXXHHQCDIQP-UHFFFAOYSA-N 1 2 265.784 3.913 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(C)cc1Br ZINC001137807185 1131417780 /nfs/dbraw/zinc/41/77/80/1131417780.db2.gz LMVXNCFBIVRWJS-UHFFFAOYSA-N 1 2 280.209 3.932 20 30 CHEDLO C#CC[N@@H+](Cc1c(O)cccc1F)[C@@H]1CCc2ccccc21 ZINC001137837442 1131421782 /nfs/dbraw/zinc/42/17/82/1131421782.db2.gz HDPVEGGXPBPLGA-GOSISDBHSA-N 1 2 295.357 3.654 20 30 CHEDLO C#CC[N@H+](Cc1c(O)cccc1F)[C@@H]1CCc2ccccc21 ZINC001137837442 1131421784 /nfs/dbraw/zinc/42/17/84/1131421784.db2.gz HDPVEGGXPBPLGA-GOSISDBHSA-N 1 2 295.357 3.654 20 30 CHEDLO CC(=O)c1ccc([C@H](C)Nc2[nH+]cccc2CC#N)cc1 ZINC001171051727 1131463659 /nfs/dbraw/zinc/46/36/59/1131463659.db2.gz QVPLWSOXHLWMQS-LBPRGKRZSA-N 1 2 279.343 3.523 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(OC)c1Cl ZINC001143371393 1131518332 /nfs/dbraw/zinc/51/83/32/1131518332.db2.gz RNDCUGVOJDRHSN-UHFFFAOYSA-N 1 2 271.763 3.886 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(F)ccc(OC)c1Cl ZINC001143371393 1131518338 /nfs/dbraw/zinc/51/83/38/1131518338.db2.gz RNDCUGVOJDRHSN-UHFFFAOYSA-N 1 2 271.763 3.886 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866898 1131543346 /nfs/dbraw/zinc/54/33/46/1131543346.db2.gz PBBBGYXTTNITTD-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866898 1131543350 /nfs/dbraw/zinc/54/33/50/1131543350.db2.gz PBBBGYXTTNITTD-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO CCCCOc1cccc(C[N@H+](CC)CCC#N)c1 ZINC001138953862 1131564043 /nfs/dbraw/zinc/56/40/43/1131564043.db2.gz KOYRUZSZMCGWFE-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO CCCCOc1cccc(C[N@@H+](CC)CCC#N)c1 ZINC001138953862 1131564046 /nfs/dbraw/zinc/56/40/46/1131564046.db2.gz KOYRUZSZMCGWFE-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001139029110 1131574600 /nfs/dbraw/zinc/57/46/00/1131574600.db2.gz OISTUCLHQUUVLR-OAHLLOKOSA-N 1 2 299.336 3.821 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001139029110 1131574604 /nfs/dbraw/zinc/57/46/04/1131574604.db2.gz OISTUCLHQUUVLR-OAHLLOKOSA-N 1 2 299.336 3.821 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001139029362 1131575199 /nfs/dbraw/zinc/57/51/99/1131575199.db2.gz VQVBXDUFQMGRGD-CVEARBPZSA-N 1 2 281.346 3.523 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001139029362 1131575202 /nfs/dbraw/zinc/57/52/02/1131575202.db2.gz VQVBXDUFQMGRGD-CVEARBPZSA-N 1 2 281.346 3.523 20 30 CHEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001139070317 1131579313 /nfs/dbraw/zinc/57/93/13/1131579313.db2.gz KLZWTTLVRYMEEE-OAHLLOKOSA-N 1 2 292.382 3.708 20 30 CHEDLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](C#N)C1 ZINC001139070317 1131579315 /nfs/dbraw/zinc/57/93/15/1131579315.db2.gz KLZWTTLVRYMEEE-OAHLLOKOSA-N 1 2 292.382 3.708 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139075600 1131580584 /nfs/dbraw/zinc/58/05/84/1131580584.db2.gz OCJOKGXQHMBWKB-UHFFFAOYSA-N 1 2 294.782 3.584 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139075600 1131580587 /nfs/dbraw/zinc/58/05/87/1131580587.db2.gz OCJOKGXQHMBWKB-UHFFFAOYSA-N 1 2 294.782 3.584 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)nc1 ZINC001144163093 1131593224 /nfs/dbraw/zinc/59/32/24/1131593224.db2.gz LZSXXRLYAVKRCL-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)nc1 ZINC001144163093 1131593228 /nfs/dbraw/zinc/59/32/28/1131593228.db2.gz LZSXXRLYAVKRCL-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc(F)c1F ZINC001139529649 1131613804 /nfs/dbraw/zinc/61/38/04/1131613804.db2.gz BINUPSQGAKLIPB-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc(F)c1F ZINC001139529649 1131613805 /nfs/dbraw/zinc/61/38/05/1131613805.db2.gz BINUPSQGAKLIPB-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C(C)C ZINC001139623751 1131624848 /nfs/dbraw/zinc/62/48/48/1131624848.db2.gz CKUBXGPNMBOKCV-KRWDZBQOSA-N 1 2 272.392 3.554 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C(C)C ZINC001139623751 1131624850 /nfs/dbraw/zinc/62/48/50/1131624850.db2.gz CKUBXGPNMBOKCV-KRWDZBQOSA-N 1 2 272.392 3.554 20 30 CHEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1C#N ZINC001139690108 1131628757 /nfs/dbraw/zinc/62/87/57/1131628757.db2.gz PBYXZPWGUXLROF-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1C#N ZINC001139690108 1131628759 /nfs/dbraw/zinc/62/87/59/1131628759.db2.gz PBYXZPWGUXLROF-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C=CCC1(C(=O)OCc2cccc3[nH+]ccn32)CCCC1 ZINC000835235985 1131796462 /nfs/dbraw/zinc/79/64/62/1131796462.db2.gz FYTVDBWRKAJHFB-UHFFFAOYSA-N 1 2 284.359 3.514 20 30 CHEDLO C=C[C@@H](C#CC(C)(C)C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228092703 1131808844 /nfs/dbraw/zinc/80/88/44/1131808844.db2.gz SZGMRQIXIJUGCT-INIZCTEOSA-N 1 2 297.398 3.653 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001140589587 1131814284 /nfs/dbraw/zinc/81/42/84/1131814284.db2.gz OQUSYXXHSNPIHU-VIFPVBQESA-N 1 2 274.216 3.900 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001140589587 1131814292 /nfs/dbraw/zinc/81/42/92/1131814292.db2.gz OQUSYXXHSNPIHU-VIFPVBQESA-N 1 2 274.216 3.900 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001140600884 1131821232 /nfs/dbraw/zinc/82/12/32/1131821232.db2.gz ZAUREVUMXNDIRH-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001140600884 1131821242 /nfs/dbraw/zinc/82/12/42/1131821242.db2.gz ZAUREVUMXNDIRH-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO Cc1ncccc1C[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140604227 1131825118 /nfs/dbraw/zinc/82/51/18/1131825118.db2.gz VUWJQWGOPIKXIX-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ncccc1C[N@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140604227 1131825128 /nfs/dbraw/zinc/82/51/28/1131825128.db2.gz VUWJQWGOPIKXIX-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO N#CCc1ccc[nH+]c1NCc1cc2ccccc2cc1O ZINC001171400278 1131968247 /nfs/dbraw/zinc/96/82/47/1131968247.db2.gz RHSLCFPDGGNFHE-UHFFFAOYSA-N 1 2 289.338 3.619 20 30 CHEDLO Cc1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001140948408 1131970522 /nfs/dbraw/zinc/97/05/22/1131970522.db2.gz GHZLWNAUVMOLIH-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO Cc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001140948408 1131970526 /nfs/dbraw/zinc/97/05/26/1131970526.db2.gz GHZLWNAUVMOLIH-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO C=C[C@@H](C#CC(C)(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953598 1132135807 /nfs/dbraw/zinc/13/58/07/1132135807.db2.gz BTVIUMNGRYMHIU-INIZCTEOSA-N 1 2 280.371 3.855 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCCC(F)(F)C1 ZINC001172309657 1132154979 /nfs/dbraw/zinc/15/49/79/1132154979.db2.gz VMIWXCOGFSOGNN-CYBMUJFWSA-N 1 2 278.346 3.610 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCCC(F)(F)C1 ZINC001172309657 1132154981 /nfs/dbraw/zinc/15/49/81/1132154981.db2.gz VMIWXCOGFSOGNN-CYBMUJFWSA-N 1 2 278.346 3.610 20 30 CHEDLO C[C@H](CCCC#N)[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001172497453 1132247897 /nfs/dbraw/zinc/24/78/97/1132247897.db2.gz CDPNXNPFFSQPGF-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H](CCCC#N)[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001172497453 1132247901 /nfs/dbraw/zinc/24/79/01/1132247901.db2.gz CDPNXNPFFSQPGF-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO O=C1C=C2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2S1 ZINC001172555584 1132267551 /nfs/dbraw/zinc/26/75/51/1132267551.db2.gz ARTOOBHRKZFITQ-PVAVHDDUSA-N 1 2 299.439 3.597 20 30 CHEDLO O=C1C=C2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2S1 ZINC001172555584 1132267556 /nfs/dbraw/zinc/26/75/56/1132267556.db2.gz ARTOOBHRKZFITQ-PVAVHDDUSA-N 1 2 299.439 3.597 20 30 CHEDLO COCC[C@H](C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000840709454 1132272603 /nfs/dbraw/zinc/27/26/03/1132272603.db2.gz DGERSWYOKAJPIE-CYUIRQCWSA-N 1 2 271.360 3.637 20 30 CHEDLO Cc1ccc(-c2ccc(C[N@H+](C)CCC#N)cc2)o1 ZINC001231594380 1132320277 /nfs/dbraw/zinc/32/02/77/1132320277.db2.gz CRBYJIBHOCLCFQ-UHFFFAOYSA-N 1 2 254.333 3.601 20 30 CHEDLO Cc1ccc(-c2ccc(C[N@@H+](C)CCC#N)cc2)o1 ZINC001231594380 1132320285 /nfs/dbraw/zinc/32/02/85/1132320285.db2.gz CRBYJIBHOCLCFQ-UHFFFAOYSA-N 1 2 254.333 3.601 20 30 CHEDLO C[C@H](C#N)[N@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172824731 1132321376 /nfs/dbraw/zinc/32/13/76/1132321376.db2.gz INNUHSPICCYSLP-ODIFPOPNSA-N 1 2 256.393 3.632 20 30 CHEDLO C[C@H](C#N)[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172824731 1132321384 /nfs/dbraw/zinc/32/13/84/1132321384.db2.gz INNUHSPICCYSLP-ODIFPOPNSA-N 1 2 256.393 3.632 20 30 CHEDLO N#CC1([NH2+]C2CCC3(CCOCC3)CC2)CCCCC1 ZINC001173041246 1132378783 /nfs/dbraw/zinc/37/87/83/1132378783.db2.gz VCCVXDJMRXNATP-UHFFFAOYSA-N 1 2 276.424 3.542 20 30 CHEDLO Cc1ccccc1C[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143170681 1132513896 /nfs/dbraw/zinc/51/38/96/1132513896.db2.gz JOHMZMJWJLJQLD-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccccc1C[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143170681 1132513900 /nfs/dbraw/zinc/51/39/00/1132513900.db2.gz JOHMZMJWJLJQLD-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)n1 ZINC001232924643 1132545073 /nfs/dbraw/zinc/54/50/73/1132545073.db2.gz QFQVJLMAXDCKJA-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)n1 ZINC001232924643 1132545078 /nfs/dbraw/zinc/54/50/78/1132545078.db2.gz QFQVJLMAXDCKJA-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO CCCCCCC[N@H+](C)Cc1cc(Cl)ncc1O ZINC001233036804 1132565926 /nfs/dbraw/zinc/56/59/26/1132565926.db2.gz WHRRXVZMDRQSMK-UHFFFAOYSA-N 1 2 270.804 3.843 20 30 CHEDLO CCCCCCC[N@@H+](C)Cc1cc(Cl)ncc1O ZINC001233036804 1132565933 /nfs/dbraw/zinc/56/59/33/1132565933.db2.gz WHRRXVZMDRQSMK-UHFFFAOYSA-N 1 2 270.804 3.843 20 30 CHEDLO N#Cc1cc[nH]c1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001233048012 1132567683 /nfs/dbraw/zinc/56/76/83/1132567683.db2.gz RQYATFQGMONDLW-UHFFFAOYSA-N 1 2 297.427 3.643 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1ccsc1Br ZINC001233481377 1132627879 /nfs/dbraw/zinc/62/78/79/1132627879.db2.gz IHUAJQJVDNPIQK-UHFFFAOYSA-N 1 2 274.227 3.909 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1ccsc1Br ZINC001233481377 1132627883 /nfs/dbraw/zinc/62/78/83/1132627883.db2.gz IHUAJQJVDNPIQK-UHFFFAOYSA-N 1 2 274.227 3.909 20 30 CHEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ccc(F)cn1 ZINC001156676384 1132705652 /nfs/dbraw/zinc/70/56/52/1132705652.db2.gz PETMQTOXQCPJCS-NSHDSACASA-N 1 2 292.317 3.814 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NCc3ccccc3C#N)c2c1 ZINC001156785916 1132710229 /nfs/dbraw/zinc/71/02/29/1132710229.db2.gz NZAWZDJZXFOGIN-UHFFFAOYSA-N 1 2 284.322 3.590 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NC3(c4ccccn4)CC3)c2c1 ZINC001157372333 1132729930 /nfs/dbraw/zinc/72/99/30/1132729930.db2.gz XIDPCNMKIIWSCN-UHFFFAOYSA-N 1 2 286.338 3.603 20 30 CHEDLO C=CCN(c1cc(N)cc(Cl)[nH+]1)C1CCCCC1 ZINC001157850714 1132748573 /nfs/dbraw/zinc/74/85/73/1132748573.db2.gz RYDSHHPACXFYOF-UHFFFAOYSA-N 1 2 265.788 3.642 20 30 CHEDLO Cc1ccc([C@@H](C)Nc2[nH+]ccc3ccc(C#N)cc32)nc1 ZINC001158012574 1132759634 /nfs/dbraw/zinc/75/96/34/1132759634.db2.gz BNYDJVPTTUXEOW-CYBMUJFWSA-N 1 2 288.354 3.983 20 30 CHEDLO C[C@H]1C[C@H](Nc2cc(CC#N)cc[nH+]2)c2ccccc21 ZINC001158470230 1132779110 /nfs/dbraw/zinc/77/91/10/1132779110.db2.gz BVBGVUZCEKBSFN-LRDDRELGSA-N 1 2 263.344 3.808 20 30 CHEDLO C#C[C@](C)(CC)Nc1cc(-c2ccccc2)cc[nH+]1 ZINC001158738280 1132790210 /nfs/dbraw/zinc/79/02/10/1132790210.db2.gz ZPUWBXBALAMKCI-QGZVFWFLSA-N 1 2 250.345 3.962 20 30 CHEDLO C#Cc1cc(Nc2ccc(NCc3ccccc3)cc2)cc[nH+]1 ZINC001159124445 1132810290 /nfs/dbraw/zinc/81/02/90/1132810290.db2.gz XMPGVUOIRURVKE-UHFFFAOYSA-N 1 2 299.377 3.841 20 30 CHEDLO CC(C)(C#N)c1ccc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213028816 1132993492 /nfs/dbraw/zinc/99/34/92/1132993492.db2.gz YLYVZRRFPHSAFZ-UHFFFAOYSA-N 1 2 277.331 3.503 20 30 CHEDLO N#Cc1ccc(Cl)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032381 1133001144 /nfs/dbraw/zinc/00/11/44/1133001144.db2.gz CKMPEGUKMQWPRP-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO C#CCCCNc1[nH+]cccc1OCc1ccccc1F ZINC001162440320 1133077975 /nfs/dbraw/zinc/07/79/75/1133077975.db2.gz YEVUHXBODWZLQX-UHFFFAOYSA-N 1 2 284.334 3.625 20 30 CHEDLO Cc1ccc(Nc2onc(C(C)(C)C)c2C#N)c(C)[nH+]1 ZINC001203370708 1133319385 /nfs/dbraw/zinc/31/93/85/1133319385.db2.gz SQFNKDSWNRXBNN-UHFFFAOYSA-N 1 2 270.336 3.599 20 30 CHEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001203522517 1133336261 /nfs/dbraw/zinc/33/62/61/1133336261.db2.gz REYASSWUXHUDPU-LLVKDONJSA-N 1 2 274.751 3.992 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)c(C)c1OC ZINC001204262436 1133427236 /nfs/dbraw/zinc/42/72/36/1133427236.db2.gz QOWIESWLVJHMPE-UHFFFAOYSA-N 1 2 290.407 3.528 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)c(C)c1OC ZINC001204262436 1133427238 /nfs/dbraw/zinc/42/72/38/1133427238.db2.gz QOWIESWLVJHMPE-UHFFFAOYSA-N 1 2 290.407 3.528 20 30 CHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001204647718 1133470681 /nfs/dbraw/zinc/47/06/81/1133470681.db2.gz BNACJUMHAKHTIB-ZFWWWQNUSA-N 1 2 298.390 3.591 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[NH+]2CC(C)(C#N)C2)cc1 ZINC001207932731 1133863940 /nfs/dbraw/zinc/86/39/40/1133863940.db2.gz OPOMTPQPQGYXLY-HNNXBMFYSA-N 1 2 270.420 3.834 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001209083024 1133974777 /nfs/dbraw/zinc/97/47/77/1133974777.db2.gz MSAIXNRUHCONBV-AWEZNQCLSA-N 1 2 283.202 3.771 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001209083024 1133974783 /nfs/dbraw/zinc/97/47/83/1133974783.db2.gz MSAIXNRUHCONBV-AWEZNQCLSA-N 1 2 283.202 3.771 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209438008 1134020687 /nfs/dbraw/zinc/02/06/87/1134020687.db2.gz BQWJIYZGWFQKEM-AWEZNQCLSA-N 1 2 255.377 3.516 20 30 CHEDLO C=CCCCCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209438008 1134020691 /nfs/dbraw/zinc/02/06/91/1134020691.db2.gz BQWJIYZGWFQKEM-AWEZNQCLSA-N 1 2 255.377 3.516 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(Cl)c(Cl)c2C#N)cc1N ZINC001210290668 1134186555 /nfs/dbraw/zinc/18/65/55/1134186555.db2.gz DDYOBVPMLHBULX-UHFFFAOYSA-N 1 2 293.157 3.894 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001210375428 1134202630 /nfs/dbraw/zinc/20/26/30/1134202630.db2.gz SHCHBCCPVHEWPG-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001210500833 1134230588 /nfs/dbraw/zinc/23/05/88/1134230588.db2.gz CBYZVHMHLUYODA-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO N#Cc1cc(Cl)cc(Nc2cccn3cc[nH+]c23)c1 ZINC001210536744 1134241648 /nfs/dbraw/zinc/24/16/48/1134241648.db2.gz PGDJENOQGMYKRL-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001210554595 1134246907 /nfs/dbraw/zinc/24/69/07/1134246907.db2.gz INHVQELYQZPNOG-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO CCOc1cc(Nc2ccc(C)cc2C#N)cc(C)[nH+]1 ZINC001210565761 1134250085 /nfs/dbraw/zinc/25/00/85/1134250085.db2.gz IKKFCMBSUPLIHJ-UHFFFAOYSA-N 1 2 267.332 3.712 20 30 CHEDLO COc1cc(Nc2ccc(C#N)c(Cl)c2)cc(C)[nH+]1 ZINC001210780409 1134295275 /nfs/dbraw/zinc/29/52/75/1134295275.db2.gz RISKGPYBSFSXGW-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO Cc1coc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C#N ZINC001213088035 1134424883 /nfs/dbraw/zinc/42/48/83/1134424883.db2.gz MGWRZSSLZWAKAO-UHFFFAOYSA-N 1 2 264.288 3.593 20 30 CHEDLO COc1ccc(C#N)cc1Nc1cc(C2CC2)c[nH+]c1C ZINC001213501126 1134456778 /nfs/dbraw/zinc/45/67/78/1134456778.db2.gz IYYFEEVEPZCYKB-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1c[nH+]cc(Nc2cccc(C#CC(C)(C)O)c2)c1C ZINC001213533935 1134461335 /nfs/dbraw/zinc/46/13/35/1134461335.db2.gz CWSJLVGFXWUNJU-UHFFFAOYSA-N 1 2 280.371 3.564 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(F)c(C#N)c2)c1C ZINC001213532386 1134461771 /nfs/dbraw/zinc/46/17/71/1134461771.db2.gz FNYLXIYRJJOOCF-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(OC)c(C#N)c2)c1 ZINC001214998972 1134592712 /nfs/dbraw/zinc/59/27/12/1134592712.db2.gz RNTVREXIEDGHEG-UHFFFAOYSA-N 1 2 267.332 3.658 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(OC)c(C#N)c1 ZINC001214999093 1134593002 /nfs/dbraw/zinc/59/30/02/1134593002.db2.gz ZNJIIHRUQNKVND-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO CCc1ccc[nH+]c1Nc1c(C)cc(C#N)cc1C ZINC001215645040 1134654998 /nfs/dbraw/zinc/65/49/98/1134654998.db2.gz BVWOQRIJVGEUHF-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO CCc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC001216316592 1134850551 /nfs/dbraw/zinc/85/05/51/1134850551.db2.gz WLQDJHBIYJXOTA-UHFFFAOYSA-N 1 2 292.386 3.859 20 30 CHEDLO C#Cc1cc(Nc2cc(C)c(C)cc2OC(C)C)cc[nH+]1 ZINC001216378610 1134875903 /nfs/dbraw/zinc/87/59/03/1134875903.db2.gz KKBSAMPISAVSJM-UHFFFAOYSA-N 1 2 280.371 3.632 20 30 CHEDLO N#Cc1cccc(Nc2cccc(-n3cc[nH+]c3)c2)c1F ZINC001216415137 1134888399 /nfs/dbraw/zinc/88/83/99/1134888399.db2.gz BTOORJJKLFZTTO-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO Cc1cc(C#N)cc(C)c1-c1ccc2[nH+]ccn2c1C ZINC001222672618 1135262823 /nfs/dbraw/zinc/26/28/23/1135262823.db2.gz NFQAKJXDHUQWQF-UHFFFAOYSA-N 1 2 261.328 3.798 20 30 CHEDLO C[C@H](Oc1cc[nH+]cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC001225290798 1135536327 /nfs/dbraw/zinc/53/63/27/1135536327.db2.gz IFQUADQQRYGEFN-LURJTMIESA-N 1 2 291.166 3.682 20 30 CHEDLO C=CCCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000171421349 335065434 /nfs/dbraw/zinc/06/54/34/335065434.db2.gz LFEVKBKXKXDZET-UHFFFAOYSA-N 1 2 283.375 3.667 20 30 CHEDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1C#N ZINC000354857474 227174065 /nfs/dbraw/zinc/17/40/65/227174065.db2.gz ISQUEVQSZITZAI-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccccc1C#N ZINC000354857474 227174069 /nfs/dbraw/zinc/17/40/69/227174069.db2.gz ISQUEVQSZITZAI-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO COc1c(C)c[nH+]c(CSc2ccccc2C#N)c1C ZINC000173708371 261168722 /nfs/dbraw/zinc/16/87/22/261168722.db2.gz IWGOHEAHBICXCS-UHFFFAOYSA-N 1 2 284.384 3.871 20 30 CHEDLO N#Cc1cc(F)ccc1CSCc1cn2ccccc2[nH+]1 ZINC000176901680 261317996 /nfs/dbraw/zinc/31/79/96/261317996.db2.gz FYSKTORFFAYIKD-UHFFFAOYSA-N 1 2 297.358 3.778 20 30 CHEDLO Clc1ccc(C#CC[NH+]2Cc3ccccc3C2)cc1 ZINC000177144869 261335367 /nfs/dbraw/zinc/33/53/67/261335367.db2.gz BXFZBVVBNUAZQW-UHFFFAOYSA-N 1 2 267.759 3.707 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000361599545 261356117 /nfs/dbraw/zinc/35/61/17/261356117.db2.gz DJFNEVZHCNNARJ-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000361599545 261356119 /nfs/dbraw/zinc/35/61/19/261356119.db2.gz DJFNEVZHCNNARJ-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1c(F)cccc1Cl ZINC000175025467 261592161 /nfs/dbraw/zinc/59/21/61/261592161.db2.gz UXNBFNLFMMBRGI-GHMZBOCLSA-N 1 2 279.746 3.573 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000184089766 262008516 /nfs/dbraw/zinc/00/85/16/262008516.db2.gz OJEDBDQHQLXDKM-ZDUSSCGKSA-N 1 2 299.330 3.637 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2ccc(N(C)C(C)C)[nH+]c2)o1 ZINC000191257376 262190849 /nfs/dbraw/zinc/19/08/49/262190849.db2.gz JFTXLNGGIUOCKZ-SOFGYWHQSA-N 1 2 284.359 3.724 20 30 CHEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000488453234 262325165 /nfs/dbraw/zinc/32/51/65/262325165.db2.gz CDANMAIYSAIHRZ-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000488453234 262325167 /nfs/dbraw/zinc/32/51/67/262325167.db2.gz CDANMAIYSAIHRZ-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2sccc2Br)CC1 ZINC000227354522 262388782 /nfs/dbraw/zinc/38/87/82/262388782.db2.gz YDPZFSHPEQBIGG-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C)(C#N)CC1 ZINC000272616281 263007767 /nfs/dbraw/zinc/00/77/67/263007767.db2.gz TXFMLGDOGGFYSS-LBPRGKRZSA-N 1 2 275.396 3.659 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000273851688 263019992 /nfs/dbraw/zinc/01/99/92/263019992.db2.gz KDUAJKQEDOCJFX-LBPRGKRZSA-N 1 2 272.323 3.868 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1Cl ZINC000275373636 263033171 /nfs/dbraw/zinc/03/31/71/263033171.db2.gz LFUIWIBCSQGMPQ-GFCCVEGCSA-N 1 2 280.799 3.719 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1Cl ZINC000275373636 263033172 /nfs/dbraw/zinc/03/31/72/263033172.db2.gz LFUIWIBCSQGMPQ-GFCCVEGCSA-N 1 2 280.799 3.719 20 30 CHEDLO CC1=C[C@H](C)C[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486189 263117173 /nfs/dbraw/zinc/11/71/73/263117173.db2.gz RGEZADGYOFHBFM-DOTOQJQBSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486189 263117174 /nfs/dbraw/zinc/11/71/74/263117174.db2.gz RGEZADGYOFHBFM-DOTOQJQBSA-N 1 2 283.419 3.790 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cc(Cl)cc2cccnc21 ZINC000292080126 263127945 /nfs/dbraw/zinc/12/79/45/263127945.db2.gz DLPVOLKRIPYTFF-UHFFFAOYSA-N 1 2 285.778 3.790 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cc(Cl)cc2cccnc21 ZINC000292080126 263127946 /nfs/dbraw/zinc/12/79/46/263127946.db2.gz DLPVOLKRIPYTFF-UHFFFAOYSA-N 1 2 285.778 3.790 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974637 263153567 /nfs/dbraw/zinc/15/35/67/263153567.db2.gz DGODYJSBMBKQFC-DOMZBBRYSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974637 263153568 /nfs/dbraw/zinc/15/35/68/263153568.db2.gz DGODYJSBMBKQFC-DOMZBBRYSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974659 263153619 /nfs/dbraw/zinc/15/36/19/263153619.db2.gz DGODYJSBMBKQFC-WFASDCNBSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974659 263153620 /nfs/dbraw/zinc/15/36/20/263153620.db2.gz DGODYJSBMBKQFC-WFASDCNBSA-N 1 2 299.805 3.803 20 30 CHEDLO C[C@H](c1ccc(C[N@H+](C)CCC#N)cc1)C(F)(F)F ZINC000294903401 263168958 /nfs/dbraw/zinc/16/89/58/263168958.db2.gz HGUAHFHHITZSJK-LLVKDONJSA-N 1 2 270.298 3.698 20 30 CHEDLO C[C@H](c1ccc(C[N@@H+](C)CCC#N)cc1)C(F)(F)F ZINC000294903401 263168960 /nfs/dbraw/zinc/16/89/60/263168960.db2.gz HGUAHFHHITZSJK-LLVKDONJSA-N 1 2 270.298 3.698 20 30 CHEDLO CCC[C@@H](CC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331336838 264193924 /nfs/dbraw/zinc/19/39/24/264193924.db2.gz QOSMHSXJJJMROO-CYBMUJFWSA-N 1 2 263.385 3.911 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1F)CC1CC1 ZINC000189063607 264266283 /nfs/dbraw/zinc/26/62/83/264266283.db2.gz KHYXDUBDQZFNMF-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1F)CC1CC1 ZINC000189063607 264266285 /nfs/dbraw/zinc/26/62/85/264266285.db2.gz KHYXDUBDQZFNMF-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c[nH]nc1C ZINC000162792353 264334576 /nfs/dbraw/zinc/33/45/76/264334576.db2.gz XIXJCRIPVVIEFF-UHFFFAOYSA-N 1 2 281.812 3.621 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c[nH]nc1C ZINC000162792353 264334578 /nfs/dbraw/zinc/33/45/78/264334578.db2.gz XIXJCRIPVVIEFF-UHFFFAOYSA-N 1 2 281.812 3.621 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294396527 265015381 /nfs/dbraw/zinc/01/53/81/265015381.db2.gz ZVNYZGWCPGCXHQ-ZBFHGGJFSA-N 1 2 297.402 3.560 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1nc2ccc(F)cc2o1 ZINC000119416273 267334003 /nfs/dbraw/zinc/33/40/03/267334003.db2.gz UCHKQPGPCDLPGH-UHFFFAOYSA-N 1 2 289.354 3.729 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1nc2ccc(F)cc2o1 ZINC000119416273 267334004 /nfs/dbraw/zinc/33/40/04/267334004.db2.gz UCHKQPGPCDLPGH-UHFFFAOYSA-N 1 2 289.354 3.729 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2Cl)CCC1 ZINC000418145602 267366081 /nfs/dbraw/zinc/36/60/81/267366081.db2.gz YJIWOYJJJZLBHV-UHFFFAOYSA-N 1 2 269.175 3.777 20 30 CHEDLO C=CCC[C@@H](C)[NH2+][C@H](c1noc(C)n1)c1ccccc1F ZINC000186315425 327687286 /nfs/dbraw/zinc/68/72/86/327687286.db2.gz YYWUITXJJJROMV-ABAIWWIYSA-N 1 2 289.354 3.551 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000563316720 328054300 /nfs/dbraw/zinc/05/43/00/328054300.db2.gz WJNQBABLDOFGTN-OAHLLOKOSA-N 1 2 286.419 3.811 20 30 CHEDLO CCOc1cccc(Cl)c1C[NH2+][C@@H](CC)CC#N ZINC000565175511 328082357 /nfs/dbraw/zinc/08/23/57/328082357.db2.gz VQOQUWMIBXTERA-NSHDSACASA-N 1 2 266.772 3.521 20 30 CHEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160927744 328095449 /nfs/dbraw/zinc/09/54/49/328095449.db2.gz MPZRRYZWTUVMJI-SFHVURJKSA-N 1 2 297.377 3.763 20 30 CHEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000160927744 328095451 /nfs/dbraw/zinc/09/54/51/328095451.db2.gz MPZRRYZWTUVMJI-SFHVURJKSA-N 1 2 297.377 3.763 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1ncc(C)s1)c1ccco1 ZINC000571617618 328137989 /nfs/dbraw/zinc/13/79/89/328137989.db2.gz DMWUUPWZARBPBB-LBPRGKRZSA-N 1 2 262.378 3.842 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cnc(-c2ccccc2)s1 ZINC000266943333 328170845 /nfs/dbraw/zinc/17/08/45/328170845.db2.gz RNSGXVSTYXMCBF-UHFFFAOYSA-N 1 2 271.389 3.546 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)s1 ZINC000266943333 328170846 /nfs/dbraw/zinc/17/08/46/328170846.db2.gz RNSGXVSTYXMCBF-UHFFFAOYSA-N 1 2 271.389 3.546 20 30 CHEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272650290 328200253 /nfs/dbraw/zinc/20/02/53/328200253.db2.gz ZFRAVANQXWPXLF-LLVKDONJSA-N 1 2 264.319 3.651 20 30 CHEDLO CCOc1cc(C[N@H+](CCC#N)C(C)C)cc(Cl)c1O ZINC000582770797 329160341 /nfs/dbraw/zinc/16/03/41/329160341.db2.gz HDAPLMQMAIGANW-UHFFFAOYSA-N 1 2 296.798 3.568 20 30 CHEDLO CCOc1cc(C[N@@H+](CCC#N)C(C)C)cc(Cl)c1O ZINC000582770797 329160343 /nfs/dbraw/zinc/16/03/43/329160343.db2.gz HDAPLMQMAIGANW-UHFFFAOYSA-N 1 2 296.798 3.568 20 30 CHEDLO CCCCCN(C)c1ccc(F)cc1C[NH2+]C[C@H](C)C#N ZINC000558449430 327095308 /nfs/dbraw/zinc/09/53/08/327095308.db2.gz APPTUUPKPOYGHS-CQSZACIVSA-N 1 2 291.414 3.701 20 30 CHEDLO N#Cc1csc(C[NH2+]Cc2c(Cl)cccc2Cl)n1 ZINC000564413985 327402448 /nfs/dbraw/zinc/40/24/48/327402448.db2.gz BHAFLXHJKHSEIN-UHFFFAOYSA-N 1 2 298.198 3.611 20 30 CHEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 ZINC000570662552 327609268 /nfs/dbraw/zinc/60/92/68/327609268.db2.gz MKAHLEICJRUSHV-RHSMWYFYSA-N 1 2 294.402 3.525 20 30 CHEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 ZINC000570662555 327609303 /nfs/dbraw/zinc/60/93/03/327609303.db2.gz MKAHLEICJRUSHV-YOEHRIQHSA-N 1 2 294.402 3.525 20 30 CHEDLO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000103483642 328770912 /nfs/dbraw/zinc/77/09/12/328770912.db2.gz XBZOZXOFVOBATI-UHFFFAOYSA-N 1 2 298.361 3.731 20 30 CHEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)ccc1F ZINC000352836066 328812337 /nfs/dbraw/zinc/81/23/37/328812337.db2.gz LUWCXLYRRJQJAU-ZDUSSCGKSA-N 1 2 293.342 3.534 20 30 CHEDLO C=C(CC)CSCCc1[nH+]c2ccccc2n1C ZINC000571678510 328842144 /nfs/dbraw/zinc/84/21/44/328842144.db2.gz QZBHZKGSSVKNLN-UHFFFAOYSA-N 1 2 260.406 3.815 20 30 CHEDLO C#CCCCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000378397524 329048985 /nfs/dbraw/zinc/04/89/85/329048985.db2.gz PFXULPVTDNTZAK-UHFFFAOYSA-N 1 2 281.359 3.517 20 30 CHEDLO C=CC[N@@H+](Cc1ccn(C(C)C)n1)Cc1cccc(C#N)c1 ZINC000172012956 329082864 /nfs/dbraw/zinc/08/28/64/329082864.db2.gz QDABWMKTXNIXLS-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO C=CC[N@H+](Cc1ccn(C(C)C)n1)Cc1cccc(C#N)c1 ZINC000172012956 329082866 /nfs/dbraw/zinc/08/28/66/329082866.db2.gz QDABWMKTXNIXLS-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000582683826 329127871 /nfs/dbraw/zinc/12/78/71/329127871.db2.gz LUEFCHOKCMPDRU-KBPBESRZSA-N 1 2 259.397 3.694 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000174460929 329159145 /nfs/dbraw/zinc/15/91/45/329159145.db2.gz OREARRJUEUIZKP-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000174460929 329159147 /nfs/dbraw/zinc/15/91/47/329159147.db2.gz OREARRJUEUIZKP-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C=CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1F ZINC000179565845 329209749 /nfs/dbraw/zinc/20/97/49/329209749.db2.gz WXAZMBYJTJGIQB-UHFFFAOYSA-N 1 2 287.382 3.791 20 30 CHEDLO C=CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1F ZINC000179565845 329209750 /nfs/dbraw/zinc/20/97/50/329209750.db2.gz WXAZMBYJTJGIQB-UHFFFAOYSA-N 1 2 287.382 3.791 20 30 CHEDLO CCOc1cc(C#N)ccc1OCc1ccc(C)[nH+]c1C ZINC000185276919 329269962 /nfs/dbraw/zinc/26/99/62/329269962.db2.gz SUGHAFXCFPEJNN-UHFFFAOYSA-N 1 2 282.343 3.548 20 30 CHEDLO Cc1cc(N(C)C[C@@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000425221143 329645152 /nfs/dbraw/zinc/64/51/52/329645152.db2.gz GCAWREFAKCXFCQ-CYBMUJFWSA-N 1 2 265.360 3.502 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000135041546 329663259 /nfs/dbraw/zinc/66/32/59/329663259.db2.gz NKDOFRAWCTVSDD-NSHDSACASA-N 1 2 257.164 3.775 20 30 CHEDLO N#CC1(CSCc2cn3cc(Cl)ccc3[nH+]2)CCC1 ZINC000419420774 329727348 /nfs/dbraw/zinc/72/73/48/329727348.db2.gz DXTJAQPSUBJYHQ-UHFFFAOYSA-N 1 2 291.807 3.915 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1csc(CC)n1)c1ccccc1 ZINC000270182358 330073413 /nfs/dbraw/zinc/07/34/13/330073413.db2.gz JRYMRLUTVXYQEP-HNNXBMFYSA-N 1 2 270.401 3.560 20 30 CHEDLO C=CC[N@H+](Cc1ncc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000270612356 330076666 /nfs/dbraw/zinc/07/66/66/330076666.db2.gz NLKCPTZOWOOQPD-UHFFFAOYSA-N 1 2 293.370 3.612 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000270612356 330076667 /nfs/dbraw/zinc/07/66/67/330076667.db2.gz NLKCPTZOWOOQPD-UHFFFAOYSA-N 1 2 293.370 3.612 20 30 CHEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000271991587 330082769 /nfs/dbraw/zinc/08/27/69/330082769.db2.gz GHTDRDGKDRQZRV-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000271991587 330082771 /nfs/dbraw/zinc/08/27/71/330082771.db2.gz GHTDRDGKDRQZRV-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=CCCC[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279420537 330123243 /nfs/dbraw/zinc/12/32/43/330123243.db2.gz OXPOZLNQVUEGLK-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C=CCCC[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279420537 330123244 /nfs/dbraw/zinc/12/32/44/330123244.db2.gz OXPOZLNQVUEGLK-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc2cc(C)ccc2s1 ZINC000528351394 330321481 /nfs/dbraw/zinc/32/14/81/330321481.db2.gz PDSBGJKRTTUJOE-UHFFFAOYSA-N 1 2 258.390 3.779 20 30 CHEDLO C=C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432742948 330605327 /nfs/dbraw/zinc/60/53/27/330605327.db2.gz WGPPRNLYNUXHCL-UHFFFAOYSA-N 1 2 262.353 3.587 20 30 CHEDLO Cc1cc(CSc2[nH+]cc3ccccn32)ccc1C#N ZINC000447312930 330864346 /nfs/dbraw/zinc/86/43/46/330864346.db2.gz OWSVPEKCJAJJGP-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000450803521 331000353 /nfs/dbraw/zinc/00/03/53/331000353.db2.gz KRNHPZJQEHVMNN-CABCVRRESA-N 1 2 272.323 3.519 20 30 CHEDLO C=CCC[C@@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000450911594 331006700 /nfs/dbraw/zinc/00/67/00/331006700.db2.gz KIMRAGRUHIZKRO-NSHDSACASA-N 1 2 276.767 3.627 20 30 CHEDLO Fc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451852686 331044680 /nfs/dbraw/zinc/04/46/80/331044680.db2.gz KRGPOQWQYNJIPF-GOSISDBHSA-N 1 2 295.357 3.997 20 30 CHEDLO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451852686 331044681 /nfs/dbraw/zinc/04/46/81/331044681.db2.gz KRGPOQWQYNJIPF-GOSISDBHSA-N 1 2 295.357 3.997 20 30 CHEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462322909 331319556 /nfs/dbraw/zinc/31/95/56/331319556.db2.gz RRRZGVDODNTRAX-OAHLLOKOSA-N 1 2 298.213 3.780 20 30 CHEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462322909 331319557 /nfs/dbraw/zinc/31/95/57/331319557.db2.gz RRRZGVDODNTRAX-OAHLLOKOSA-N 1 2 298.213 3.780 20 30 CHEDLO Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2nc(C#N)cs2)c1 ZINC000356057867 533712207 /nfs/dbraw/zinc/71/22/07/533712207.db2.gz FVUYATJGCPYZBJ-CYBMUJFWSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2nc(C#N)cs2)c1 ZINC000356057867 533712210 /nfs/dbraw/zinc/71/22/10/533712210.db2.gz FVUYATJGCPYZBJ-CYBMUJFWSA-N 1 2 285.416 3.825 20 30 CHEDLO C=CCC[C@@H](C(=O)Nc1cc[nH+]cc1CC)c1ccccc1 ZINC000488815074 332026903 /nfs/dbraw/zinc/02/69/03/332026903.db2.gz AVOUMBNQCBRODG-QGZVFWFLSA-N 1 2 294.398 3.754 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(C2CC2)c1C ZINC000489439090 332052140 /nfs/dbraw/zinc/05/21/40/332052140.db2.gz YAZGFBYABPOTJN-OAHLLOKOSA-N 1 2 286.419 3.663 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(C2CC2)c1C ZINC000489439090 332052141 /nfs/dbraw/zinc/05/21/41/332052141.db2.gz YAZGFBYABPOTJN-OAHLLOKOSA-N 1 2 286.419 3.663 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000489488516 332056052 /nfs/dbraw/zinc/05/60/52/332056052.db2.gz AGQNVYRQUUTDFC-CYBMUJFWSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000489488516 332056053 /nfs/dbraw/zinc/05/60/53/332056053.db2.gz AGQNVYRQUUTDFC-CYBMUJFWSA-N 1 2 274.389 3.944 20 30 CHEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000490898488 332127062 /nfs/dbraw/zinc/12/70/62/332127062.db2.gz KUEQXMBZALFJQV-QGZVFWFLSA-N 1 2 292.382 3.675 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000490898488 332127064 /nfs/dbraw/zinc/12/70/64/332127064.db2.gz KUEQXMBZALFJQV-QGZVFWFLSA-N 1 2 292.382 3.675 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000491725765 332309418 /nfs/dbraw/zinc/30/94/18/332309418.db2.gz IGOYYQXPNRYHNU-UHFFFAOYSA-N 1 2 276.430 3.715 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000491725765 332309419 /nfs/dbraw/zinc/30/94/19/332309419.db2.gz IGOYYQXPNRYHNU-UHFFFAOYSA-N 1 2 276.430 3.715 20 30 CHEDLO C#C[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000491733114 332314455 /nfs/dbraw/zinc/31/44/55/332314455.db2.gz MPYPPKAEQJGODR-ZDUSSCGKSA-N 1 2 276.792 3.569 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnccc1C)c1ccc(Cl)cc1F ZINC000491744102 332322046 /nfs/dbraw/zinc/32/20/46/332322046.db2.gz SFEKTXOLOILPDR-MRXNPFEDSA-N 1 2 288.753 3.647 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000513503430 333023169 /nfs/dbraw/zinc/02/31/69/333023169.db2.gz QMPBEOFSYYLVNZ-UHFFFAOYSA-N 1 2 284.172 3.740 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)c(F)c1 ZINC000187372947 333169862 /nfs/dbraw/zinc/16/98/62/333169862.db2.gz URYILMMQPPKAJA-MRXNPFEDSA-N 1 2 288.297 3.836 20 30 CHEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000191961902 333227811 /nfs/dbraw/zinc/22/78/11/333227811.db2.gz MIDVOEUWDFTCCI-YLJYHZDGSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000191961902 333227813 /nfs/dbraw/zinc/22/78/13/333227813.db2.gz MIDVOEUWDFTCCI-YLJYHZDGSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC#Cc1ccccc1 ZINC000191986107 333228063 /nfs/dbraw/zinc/22/80/63/333228063.db2.gz GLEHDEXEFVBOPM-FXAWDEMLSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000191986107 333228064 /nfs/dbraw/zinc/22/80/64/333228064.db2.gz GLEHDEXEFVBOPM-FXAWDEMLSA-N 1 2 291.394 3.500 20 30 CHEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1C#N ZINC000229956195 333312080 /nfs/dbraw/zinc/31/20/80/333312080.db2.gz KRPBBZIXOTVZEO-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1C#N ZINC000229956195 333312081 /nfs/dbraw/zinc/31/20/81/333312081.db2.gz KRPBBZIXOTVZEO-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO Cc1cccc(C)c1OCCC[N@H+](CC#N)C1CCCC1 ZINC000523439149 333326680 /nfs/dbraw/zinc/32/66/80/333326680.db2.gz MAQLXTSUOUSTEG-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO Cc1cccc(C)c1OCCC[N@@H+](CC#N)C1CCCC1 ZINC000523439149 333326681 /nfs/dbraw/zinc/32/66/81/333326681.db2.gz MAQLXTSUOUSTEG-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO C=C1CC[NH+](Cc2nc3cc(C)ccc3s2)CC1 ZINC000528382630 333432738 /nfs/dbraw/zinc/43/27/38/333432738.db2.gz RDPPCMBFYMXJKR-UHFFFAOYSA-N 1 2 258.390 3.757 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529541952 333495752 /nfs/dbraw/zinc/49/57/52/333495752.db2.gz NKMIFZWLAIMELI-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO Cc1c(Cl)cccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092142111 334398041 /nfs/dbraw/zinc/39/80/41/334398041.db2.gz XCCDPKFVEDUSPS-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000565459227 334565147 /nfs/dbraw/zinc/56/51/47/334565147.db2.gz QTOBHADOTZSZAF-JTQLQIEISA-N 1 2 291.807 3.827 20 30 CHEDLO CC1(CNc2cc(CC#N)cc[nH+]2)CCCCCC1 ZINC000577440752 335352430 /nfs/dbraw/zinc/35/24/30/335352430.db2.gz GZYOQIALDRJCIX-UHFFFAOYSA-N 1 2 257.381 3.920 20 30 CHEDLO C=CC[N@H+](Cc1ccnn1C(C)C)Cc1ccc(OC)cc1 ZINC000279732970 518792172 /nfs/dbraw/zinc/79/21/72/518792172.db2.gz WEXITPKSLSIRLK-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C=CC[N@@H+](Cc1ccnn1C(C)C)Cc1ccc(OC)cc1 ZINC000279732970 518792181 /nfs/dbraw/zinc/79/21/81/518792181.db2.gz WEXITPKSLSIRLK-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000290143193 520475486 /nfs/dbraw/zinc/47/54/86/520475486.db2.gz KNPQFZCDQNNWQM-CQSZACIVSA-N 1 2 272.373 3.796 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000290143193 520475496 /nfs/dbraw/zinc/47/54/96/520475496.db2.gz KNPQFZCDQNNWQM-CQSZACIVSA-N 1 2 272.373 3.796 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@@H]1c1cccnc1 ZINC000292686189 520477580 /nfs/dbraw/zinc/47/75/80/520477580.db2.gz AZUHWMCTYGQTJX-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@H]1c1cccnc1 ZINC000292686189 520477587 /nfs/dbraw/zinc/47/75/87/520477587.db2.gz AZUHWMCTYGQTJX-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000292849711 520479214 /nfs/dbraw/zinc/47/92/14/520479214.db2.gz TWNOLQMQLCHBJT-QGZVFWFLSA-N 1 2 277.371 3.536 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000292849711 520479220 /nfs/dbraw/zinc/47/92/20/520479220.db2.gz TWNOLQMQLCHBJT-QGZVFWFLSA-N 1 2 277.371 3.536 20 30 CHEDLO Cc1ccc(C2CCN(c3ccc(C#N)cc3F)CC2)c[nH+]1 ZINC000363676691 524243499 /nfs/dbraw/zinc/24/34/99/524243499.db2.gz XBXHWZGARNWDQS-UHFFFAOYSA-N 1 2 295.361 3.785 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000130663034 524742825 /nfs/dbraw/zinc/74/28/25/524742825.db2.gz ILHHELOYWYYLLD-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000130663034 524742833 /nfs/dbraw/zinc/74/28/33/524742833.db2.gz ILHHELOYWYYLLD-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(NCc2ccc(C#N)s2)c1 ZINC000119988821 527424055 /nfs/dbraw/zinc/42/40/55/527424055.db2.gz LKSIBSIVRYBBMB-UHFFFAOYSA-N 1 2 294.383 3.632 20 30 CHEDLO CC(C)CCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356128239 527700211 /nfs/dbraw/zinc/70/02/11/527700211.db2.gz YQZRAFNNESWVHN-UHFFFAOYSA-N 1 2 277.437 3.663 20 30 CHEDLO CC(C)N(C)c1ccc(CNc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000191842722 528843145 /nfs/dbraw/zinc/84/31/45/528843145.db2.gz UMKHBPFMFGWJAH-UHFFFAOYSA-N 1 2 298.365 3.549 20 30 CHEDLO CC(C)C[C@H](C)C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000499766454 1120513749 /nfs/dbraw/zinc/51/37/49/1120513749.db2.gz BPNLJEKWOZGBJS-GVDBMIGSSA-N 1 2 278.440 3.596 20 30 CHEDLO CC(C)C[C@H](C)C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000499766454 1120513753 /nfs/dbraw/zinc/51/37/53/1120513753.db2.gz BPNLJEKWOZGBJS-GVDBMIGSSA-N 1 2 278.440 3.596 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(OC(F)(F)F)cc1F ZINC001143790988 1131534596 /nfs/dbraw/zinc/53/45/96/1131534596.db2.gz ASFGOLPJEDQTME-UHFFFAOYSA-N 1 2 289.272 3.898 20 30 CHEDLO C#Cc1cc(Nc2c(F)ccc(Cl)c2Cl)cc[nH+]1 ZINC001214504757 1134546367 /nfs/dbraw/zinc/54/63/67/1134546367.db2.gz JUQUKJRODCAMRY-UHFFFAOYSA-N 1 2 281.117 3.674 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(F)c1F ZINC000121951978 1125726637 /nfs/dbraw/zinc/72/66/37/1125726637.db2.gz KQVSVQOQGBEQNA-LLVKDONJSA-N 1 2 272.298 3.687 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000766666367 1129719245 /nfs/dbraw/zinc/71/92/45/1129719245.db2.gz QYUJHDDYQCBJMW-SECBINFHSA-N 1 2 280.780 3.528 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000766666367 1129719247 /nfs/dbraw/zinc/71/92/47/1129719247.db2.gz QYUJHDDYQCBJMW-SECBINFHSA-N 1 2 280.780 3.528 20 30 CHEDLO Cc1cc2[nH]c(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc2c(C)c1 ZINC000481989544 1126737239 /nfs/dbraw/zinc/73/72/39/1126737239.db2.gz IYLMDIDSPKCKBM-ZDUSSCGKSA-N 1 2 281.403 3.909 20 30 CHEDLO Cc1cc2[nH]c(C[N@H+](C[C@@H](C)C#N)C3CC3)cc2c(C)c1 ZINC000481989544 1126737244 /nfs/dbraw/zinc/73/72/44/1126737244.db2.gz IYLMDIDSPKCKBM-ZDUSSCGKSA-N 1 2 281.403 3.909 20 30 CHEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000483947490 1126807127 /nfs/dbraw/zinc/80/71/27/1126807127.db2.gz XWDRMNVNLJCPMC-XLIONFOSSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000483947490 1126807130 /nfs/dbraw/zinc/80/71/30/1126807130.db2.gz XWDRMNVNLJCPMC-XLIONFOSSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1CCCC[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000183048138 1126880855 /nfs/dbraw/zinc/88/08/55/1126880855.db2.gz ADFSDEMQVZKGNT-HOTGVXAUSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@H]1CCCC[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000183048138 1126880858 /nfs/dbraw/zinc/88/08/58/1126880858.db2.gz ADFSDEMQVZKGNT-HOTGVXAUSA-N 1 2 271.408 3.624 20 30 CHEDLO FC(F)(F)CCO[NH+]=C1CCCNc2ccccc21 ZINC000777460376 1126942133 /nfs/dbraw/zinc/94/21/33/1126942133.db2.gz OJDTVUUVCMEERR-UHFFFAOYSA-N 1 2 272.270 3.565 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(Cl)n1 ZINC000797590672 1130995827 /nfs/dbraw/zinc/99/58/27/1130995827.db2.gz ICCHMBJRAFEJDB-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(Cl)n1 ZINC000797590672 1130995832 /nfs/dbraw/zinc/99/58/32/1130995832.db2.gz ICCHMBJRAFEJDB-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1Oc1cccnc1 ZINC000271127731 1127069890 /nfs/dbraw/zinc/06/98/90/1127069890.db2.gz LYTRKHAQPGOQCZ-AWEZNQCLSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1Oc1cccnc1 ZINC000271127731 1127069893 /nfs/dbraw/zinc/06/98/93/1127069893.db2.gz LYTRKHAQPGOQCZ-AWEZNQCLSA-N 1 2 295.386 3.774 20 30 CHEDLO C=C(Cl)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000913395716 1127131524 /nfs/dbraw/zinc/13/15/24/1127131524.db2.gz PHPPYQIXJHIURL-ZDUSSCGKSA-N 1 2 299.245 3.771 20 30 CHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCCCC#N ZINC000588727186 1127192074 /nfs/dbraw/zinc/19/20/74/1127192074.db2.gz GZBUGJCLIOYTQK-UHFFFAOYSA-N 1 2 296.374 3.798 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000057752647 1127277961 /nfs/dbraw/zinc/27/79/61/1127277961.db2.gz BMTPBYAQQOGTBI-LLVKDONJSA-N 1 2 284.197 3.597 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000057752647 1127277963 /nfs/dbraw/zinc/27/79/63/1127277963.db2.gz BMTPBYAQQOGTBI-LLVKDONJSA-N 1 2 284.197 3.597 20 30 CHEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)[C@@H](c2ccco2)C1 ZINC000592071301 1127334322 /nfs/dbraw/zinc/33/43/22/1127334322.db2.gz DSTCYBQXGXFXOL-CZUORRHYSA-N 1 2 281.359 3.519 20 30 CHEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H](c2ccco2)C1 ZINC000592071301 1127334326 /nfs/dbraw/zinc/33/43/26/1127334326.db2.gz DSTCYBQXGXFXOL-CZUORRHYSA-N 1 2 281.359 3.519 20 30 CHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592071981 1127335013 /nfs/dbraw/zinc/33/50/13/1127335013.db2.gz ALHPMINFZAHVBZ-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071981 1127335016 /nfs/dbraw/zinc/33/50/16/1127335016.db2.gz ALHPMINFZAHVBZ-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(-c2ccccc2)cn1 ZINC000593615832 1127391187 /nfs/dbraw/zinc/39/11/87/1127391187.db2.gz SPHMKIGSYLHSFP-AWEZNQCLSA-N 1 2 279.387 3.949 20 30 CHEDLO C[C@@H](C#N)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000593615190 1127391596 /nfs/dbraw/zinc/39/15/96/1127391596.db2.gz NIPVDASZGGZFDO-KBPBESRZSA-N 1 2 265.360 3.559 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000593977964 1127401697 /nfs/dbraw/zinc/40/16/97/1127401697.db2.gz WHHFRYYQWCCYKI-GOSISDBHSA-N 1 2 286.419 3.944 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000593977964 1127401700 /nfs/dbraw/zinc/40/17/00/1127401700.db2.gz WHHFRYYQWCCYKI-GOSISDBHSA-N 1 2 286.419 3.944 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@H+](C)CC(C)(C)C#N ZINC000593992526 1127402410 /nfs/dbraw/zinc/40/24/10/1127402410.db2.gz BBIRAVOLVACKSZ-UHFFFAOYSA-N 1 2 274.408 3.800 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000593992526 1127402412 /nfs/dbraw/zinc/40/24/12/1127402412.db2.gz BBIRAVOLVACKSZ-UHFFFAOYSA-N 1 2 274.408 3.800 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(F)F ZINC000594522159 1127421931 /nfs/dbraw/zinc/42/19/31/1127421931.db2.gz YKVJEUTZVPVTBA-CYBMUJFWSA-N 1 2 266.335 3.621 20 30 CHEDLO C=C(CC)C[N@@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000358515289 1127425439 /nfs/dbraw/zinc/42/54/39/1127425439.db2.gz YCLHGKNYWUIODI-LBPRGKRZSA-N 1 2 268.426 3.639 20 30 CHEDLO C=C(CC)C[N@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000358515289 1127425440 /nfs/dbraw/zinc/42/54/40/1127425440.db2.gz YCLHGKNYWUIODI-LBPRGKRZSA-N 1 2 268.426 3.639 20 30 CHEDLO Cc1ccccc1C(F)(F)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595096487 1127455203 /nfs/dbraw/zinc/45/52/03/1127455203.db2.gz ZPLDEHRYIHAMLA-KGLIPLIRSA-N 1 2 278.346 3.759 20 30 CHEDLO Cc1ccccc1C(F)(F)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595096486 1127455526 /nfs/dbraw/zinc/45/55/26/1127455526.db2.gz ZPLDEHRYIHAMLA-KBPBESRZSA-N 1 2 278.346 3.759 20 30 CHEDLO N#CC1([NH2+][C@@H]2CCc3cc(F)ccc3C2)CCCCCC1 ZINC001168405977 1127456057 /nfs/dbraw/zinc/45/60/57/1127456057.db2.gz UZNMIJGHWVVQNG-QGZVFWFLSA-N 1 2 286.394 3.889 20 30 CHEDLO N#CC1([NH2+][C@H]2CCc3cc(F)ccc3C2)CCCCCC1 ZINC001168405976 1127456100 /nfs/dbraw/zinc/45/61/00/1127456100.db2.gz UZNMIJGHWVVQNG-KRWDZBQOSA-N 1 2 286.394 3.889 20 30 CHEDLO C[C@H](C#N)C[N@H+](CCSc1ccc(F)cc1F)C1CC1 ZINC000595388723 1127461870 /nfs/dbraw/zinc/46/18/70/1127461870.db2.gz LODAQCGMUWSOHJ-LLVKDONJSA-N 1 2 296.386 3.681 20 30 CHEDLO C[C@H](C#N)C[N@@H+](CCSc1ccc(F)cc1F)C1CC1 ZINC000595388723 1127461872 /nfs/dbraw/zinc/46/18/72/1127461872.db2.gz LODAQCGMUWSOHJ-LLVKDONJSA-N 1 2 296.386 3.681 20 30 CHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000595614089 1127469976 /nfs/dbraw/zinc/46/99/76/1127469976.db2.gz FFLHSXPLCZYDPM-UHFFFAOYSA-N 1 2 284.334 3.670 20 30 CHEDLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595609354 1127469983 /nfs/dbraw/zinc/46/99/83/1127469983.db2.gz ISKFCSJSSNRSMF-LBPRGKRZSA-N 1 2 277.437 3.566 20 30 CHEDLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595609354 1127469985 /nfs/dbraw/zinc/46/99/85/1127469985.db2.gz ISKFCSJSSNRSMF-LBPRGKRZSA-N 1 2 277.437 3.566 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000595610217 1127470665 /nfs/dbraw/zinc/47/06/65/1127470665.db2.gz UAQOLABECHAJPM-CQSZACIVSA-N 1 2 297.427 3.936 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000595610217 1127470666 /nfs/dbraw/zinc/47/06/66/1127470666.db2.gz UAQOLABECHAJPM-CQSZACIVSA-N 1 2 297.427 3.936 20 30 CHEDLO Cc1cccc([C@H](C)[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593119953 1127475012 /nfs/dbraw/zinc/47/50/12/1127475012.db2.gz KOWAAJAOORZFII-AWEZNQCLSA-N 1 2 262.356 3.944 20 30 CHEDLO Cc1cccc([C@H](C)[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593119953 1127475015 /nfs/dbraw/zinc/47/50/15/1127475015.db2.gz KOWAAJAOORZFII-AWEZNQCLSA-N 1 2 262.356 3.944 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CCCc1ccsc1)C2 ZINC000593127710 1127478950 /nfs/dbraw/zinc/47/89/50/1127478950.db2.gz UJJJYVZNBINOCU-UHFFFAOYSA-N 1 2 268.385 3.568 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CCCc1ccsc1)C2 ZINC000593127710 1127478953 /nfs/dbraw/zinc/47/89/53/1127478953.db2.gz UJJJYVZNBINOCU-UHFFFAOYSA-N 1 2 268.385 3.568 20 30 CHEDLO CCCc1ccc2[nH+]ccc(N3CC[C@@](C)(C#N)C3)c2c1 ZINC000596532705 1127507235 /nfs/dbraw/zinc/50/72/35/1127507235.db2.gz WMTDWHGWLSHOHT-SFHVURJKSA-N 1 2 279.387 3.927 20 30 CHEDLO N#CCC1C[NH+](CCCc2c(Cl)cccc2Cl)C1 ZINC000597202860 1127534954 /nfs/dbraw/zinc/53/49/54/1127534954.db2.gz DFPSEOMXHOPMPN-UHFFFAOYSA-N 1 2 283.202 3.771 20 30 CHEDLO CCc1cccc(Cl)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232274 1127535667 /nfs/dbraw/zinc/53/56/67/1127535667.db2.gz RYHVFXSPDZGUHL-OAHLLOKOSA-N 1 2 262.784 3.638 20 30 CHEDLO CCc1cccc(Cl)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232274 1127535669 /nfs/dbraw/zinc/53/56/69/1127535669.db2.gz RYHVFXSPDZGUHL-OAHLLOKOSA-N 1 2 262.784 3.638 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597231137 1127536019 /nfs/dbraw/zinc/53/60/19/1127536019.db2.gz KXUUSDSYUFKPLS-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597231137 1127536021 /nfs/dbraw/zinc/53/60/21/1127536021.db2.gz KXUUSDSYUFKPLS-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602437528 1127578310 /nfs/dbraw/zinc/57/83/10/1127578310.db2.gz BFFWAIWUCOYSJA-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602437528 1127578314 /nfs/dbraw/zinc/57/83/14/1127578314.db2.gz BFFWAIWUCOYSJA-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(NC3CCC(C#N)CC3)cc2)c1C ZINC000602678947 1127605739 /nfs/dbraw/zinc/60/57/39/1127605739.db2.gz ZXXKCULORFSZQT-UHFFFAOYSA-N 1 2 294.402 3.983 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602981778 1127624250 /nfs/dbraw/zinc/62/42/50/1127624250.db2.gz JLPODLVAARNACX-TZMCWYRMSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602981778 1127624251 /nfs/dbraw/zinc/62/42/51/1127624251.db2.gz JLPODLVAARNACX-TZMCWYRMSA-N 1 2 294.345 3.721 20 30 CHEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284026 1127625512 /nfs/dbraw/zinc/62/55/12/1127625512.db2.gz KLCXAUCZWUZUKH-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284026 1127625516 /nfs/dbraw/zinc/62/55/16/1127625516.db2.gz KLCXAUCZWUZUKH-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(F)c(F)c1 ZINC000296487980 1127674089 /nfs/dbraw/zinc/67/40/89/1127674089.db2.gz PNCCAPFWJPDCRI-CABCVRRESA-N 1 2 289.329 3.513 20 30 CHEDLO C[C@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@H](C)C1(F)F ZINC000599514859 1127677004 /nfs/dbraw/zinc/67/70/04/1127677004.db2.gz LXJZZYYQZDYKSP-QWRGUYRKSA-N 1 2 298.764 3.935 20 30 CHEDLO CCCCCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363571516 1127677923 /nfs/dbraw/zinc/67/79/23/1127677923.db2.gz ORWRLNGYSCQKAX-OAHLLOKOSA-N 1 2 291.439 3.866 20 30 CHEDLO COc1cccc2c1C[N@@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000599645606 1127685050 /nfs/dbraw/zinc/68/50/50/1127685050.db2.gz QPMCPYJAPLDVBL-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1cccc2c1C[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000599645606 1127685053 /nfs/dbraw/zinc/68/50/53/1127685053.db2.gz QPMCPYJAPLDVBL-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(F)cc(F)c1)C2 ZINC000599677309 1127686264 /nfs/dbraw/zinc/68/62/64/1127686264.db2.gz DXLVJGUXJVIDOR-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(F)cc(F)c1)C2 ZINC000599677309 1127686265 /nfs/dbraw/zinc/68/62/65/1127686265.db2.gz DXLVJGUXJVIDOR-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1Cl ZINC000615224184 1127712602 /nfs/dbraw/zinc/71/26/02/1127712602.db2.gz WTTGYZSJTIKWFJ-UHFFFAOYSA-N 1 2 274.751 3.827 20 30 CHEDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1Cl ZINC000615224184 1127712607 /nfs/dbraw/zinc/71/26/07/1127712607.db2.gz WTTGYZSJTIKWFJ-UHFFFAOYSA-N 1 2 274.751 3.827 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)nc1 ZINC000594009095 1127767989 /nfs/dbraw/zinc/76/79/89/1127767989.db2.gz OKIQPMYTHNNVOY-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)nc1 ZINC000594009095 1127767992 /nfs/dbraw/zinc/76/79/92/1127767992.db2.gz OKIQPMYTHNNVOY-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO CC(C)(C)[C@H]([NH2+]CCC#N)c1ccc(F)cc1F ZINC000411473522 1127861643 /nfs/dbraw/zinc/86/16/43/1127861643.db2.gz KNNYRCHOFZPVCJ-CYBMUJFWSA-N 1 2 252.308 3.555 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000468848308 1128025309 /nfs/dbraw/zinc/02/53/09/1128025309.db2.gz FUGVBQXXMQZLFZ-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000468848308 1128025314 /nfs/dbraw/zinc/02/53/14/1128025314.db2.gz FUGVBQXXMQZLFZ-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO CCc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000469131075 1128035893 /nfs/dbraw/zinc/03/58/93/1128035893.db2.gz WUYRSBAGVKIESZ-UHFFFAOYSA-N 1 2 282.362 3.892 20 30 CHEDLO CCc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000469131075 1128035900 /nfs/dbraw/zinc/03/59/00/1128035900.db2.gz WUYRSBAGVKIESZ-UHFFFAOYSA-N 1 2 282.362 3.892 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000491737984 1128076004 /nfs/dbraw/zinc/07/60/04/1128076004.db2.gz ONGUQZBEIPABFP-OAHLLOKOSA-N 1 2 259.736 3.706 20 30 CHEDLO Cc1[nH+]c(C(C)N=Nc2ccc(Cl)cc2Cl)cn1C ZINC000800808283 1128079513 /nfs/dbraw/zinc/07/95/13/1128079513.db2.gz PRZFZOVIZUJPLQ-UHFFFAOYSA-N 1 2 297.189 3.871 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000926050553 1128151219 /nfs/dbraw/zinc/15/12/19/1128151219.db2.gz BLZQLGJHVYDDHJ-ZDUSSCGKSA-N 1 2 268.364 3.613 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCc3c2nccc3Cl)CCCCC1 ZINC000926711889 1128189612 /nfs/dbraw/zinc/18/96/12/1128189612.db2.gz OYPMFJFXVRKGGM-CQSZACIVSA-N 1 2 289.810 3.786 20 30 CHEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000914814607 1128246603 /nfs/dbraw/zinc/24/66/03/1128246603.db2.gz AEGIJKNQSJJTKK-UHFFFAOYSA-N 1 2 291.822 3.951 20 30 CHEDLO C=CCC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000780471033 1128232075 /nfs/dbraw/zinc/23/20/75/1128232075.db2.gz ADRFMQNVUQATAC-HOCLYGCPSA-N 1 2 275.392 3.577 20 30 CHEDLO C=CCC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000780471033 1128232079 /nfs/dbraw/zinc/23/20/79/1128232079.db2.gz ADRFMQNVUQATAC-HOCLYGCPSA-N 1 2 275.392 3.577 20 30 CHEDLO COc1cccc(/C=[NH+]/CCC2CCCCC2)c1O ZINC000914702021 1128232300 /nfs/dbraw/zinc/23/23/00/1128232300.db2.gz VFLPDBQCJNULFQ-SFQUDFHCSA-N 1 2 261.365 3.790 20 30 CHEDLO CCc1nc(C[N@H+](C)Cc2c(C)cc(C#N)cc2C)cs1 ZINC000929344084 1128271226 /nfs/dbraw/zinc/27/12/26/1128271226.db2.gz OWBOVBREFZLRSY-UHFFFAOYSA-N 1 2 299.443 3.826 20 30 CHEDLO CCc1nc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)cs1 ZINC000929344084 1128271230 /nfs/dbraw/zinc/27/12/30/1128271230.db2.gz OWBOVBREFZLRSY-UHFFFAOYSA-N 1 2 299.443 3.826 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000272267936 1128278227 /nfs/dbraw/zinc/27/82/27/1128278227.db2.gz MUFDGQVRCZBCCJ-LLVKDONJSA-N 1 2 283.400 3.663 20 30 CHEDLO CCc1ccccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000915051932 1128278315 /nfs/dbraw/zinc/27/83/15/1128278315.db2.gz ZVKROKWYDVTQQX-UHFFFAOYSA-N 1 2 290.370 3.881 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000929633668 1128279603 /nfs/dbraw/zinc/27/96/03/1128279603.db2.gz ZKDTWVWMDLKADV-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000929633668 1128279606 /nfs/dbraw/zinc/27/96/06/1128279606.db2.gz ZKDTWVWMDLKADV-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO Oc1cccc(/C=[NH+]\CCc2cccc3ccccc32)c1O ZINC000915113247 1128284295 /nfs/dbraw/zinc/28/42/95/1128284295.db2.gz SFPWXSBEQDBRJO-MOSHPQCFSA-N 1 2 291.350 3.913 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cncc(C#N)c1 ZINC000930166932 1128303565 /nfs/dbraw/zinc/30/35/65/1128303565.db2.gz PAIRUYBPMIDUFC-OLZOCXBDSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cncc(C#N)c1 ZINC000930166932 1128303568 /nfs/dbraw/zinc/30/35/68/1128303568.db2.gz PAIRUYBPMIDUFC-OLZOCXBDSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1cncc(C#N)c1 ZINC000930166933 1128303601 /nfs/dbraw/zinc/30/36/01/1128303601.db2.gz PAIRUYBPMIDUFC-QWHCGFSZSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1cncc(C#N)c1 ZINC000930166933 1128303605 /nfs/dbraw/zinc/30/36/05/1128303605.db2.gz PAIRUYBPMIDUFC-QWHCGFSZSA-N 1 2 295.361 3.600 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1ccccc1 ZINC000930219068 1128307955 /nfs/dbraw/zinc/30/79/55/1128307955.db2.gz CXPTXEOIHKFFCC-MRXNPFEDSA-N 1 2 282.387 3.826 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(C)c1Br ZINC000930693066 1128331351 /nfs/dbraw/zinc/33/13/51/1128331351.db2.gz LLWUYXJJHIOJAZ-LBPRGKRZSA-N 1 2 281.197 3.539 20 30 CHEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(Cl)ccc1F ZINC001168499354 1128340949 /nfs/dbraw/zinc/34/09/49/1128340949.db2.gz WHWGIRRUJLDSNC-GHMZBOCLSA-N 1 2 279.746 3.573 20 30 CHEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000932153141 1128396697 /nfs/dbraw/zinc/39/66/97/1128396697.db2.gz VYXHJYRVBSFKBV-IAQYHMDHSA-N 1 2 260.768 3.563 20 30 CHEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000932153141 1128396701 /nfs/dbraw/zinc/39/67/01/1128396701.db2.gz VYXHJYRVBSFKBV-IAQYHMDHSA-N 1 2 260.768 3.563 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)nc1Cl ZINC000933770799 1128442540 /nfs/dbraw/zinc/44/25/40/1128442540.db2.gz SPILELMOJWATAD-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)nc1Cl ZINC000933770799 1128442542 /nfs/dbraw/zinc/44/25/42/1128442542.db2.gz SPILELMOJWATAD-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1cc(C)cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917028667 1128468585 /nfs/dbraw/zinc/46/85/85/1128468585.db2.gz ZDPXMQDPPWZHPU-UHFFFAOYSA-N 1 2 290.370 3.935 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000066215710 1128471502 /nfs/dbraw/zinc/47/15/02/1128471502.db2.gz ZGSBQTQRGQDJRP-UHFFFAOYSA-N 1 2 299.201 3.606 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1F ZINC000563861893 1128482160 /nfs/dbraw/zinc/48/21/60/1128482160.db2.gz XSZOKMAPKMDZSV-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1F ZINC000563861893 1128482162 /nfs/dbraw/zinc/48/21/62/1128482162.db2.gz XSZOKMAPKMDZSV-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO Cc1ccc(C[NH2+]CCC#N)c(O[C@H](C)CC(C)C)c1 ZINC000563882017 1128483797 /nfs/dbraw/zinc/48/37/97/1128483797.db2.gz VFDGRDWVPANUMF-OAHLLOKOSA-N 1 2 274.408 3.812 20 30 CHEDLO C=CC[N@@H+](CCOC)Cc1cccc(Cl)c1Cl ZINC000565380648 1128525251 /nfs/dbraw/zinc/52/52/51/1128525251.db2.gz RULZVBCGBCYTMJ-UHFFFAOYSA-N 1 2 274.191 3.628 20 30 CHEDLO C=CC[N@H+](CCOC)Cc1cccc(Cl)c1Cl ZINC000565380648 1128525255 /nfs/dbraw/zinc/52/52/55/1128525255.db2.gz RULZVBCGBCYTMJ-UHFFFAOYSA-N 1 2 274.191 3.628 20 30 CHEDLO C=C(Br)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000919647988 1128618611 /nfs/dbraw/zinc/61/86/11/1128618611.db2.gz XOWNOMYRIGZDOF-UHFFFAOYSA-N 1 2 296.183 3.823 20 30 CHEDLO C=C(Br)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000919647988 1128618614 /nfs/dbraw/zinc/61/86/14/1128618614.db2.gz XOWNOMYRIGZDOF-UHFFFAOYSA-N 1 2 296.183 3.823 20 30 CHEDLO COc1cc(Nc2ccc(C3(C#N)CC3)cc2)cc(C)[nH+]1 ZINC001212251846 1128699290 /nfs/dbraw/zinc/69/92/90/1128699290.db2.gz YDODKWUGSPKMNH-UHFFFAOYSA-N 1 2 279.343 3.697 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccccc1C#N ZINC000610003946 1128734332 /nfs/dbraw/zinc/73/43/32/1128734332.db2.gz RNQQPYGNXBIYJE-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccccc1C#N ZINC000610003946 1128734336 /nfs/dbraw/zinc/73/43/36/1128734336.db2.gz RNQQPYGNXBIYJE-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C=C(C)CN(CC)c1[nH+]ccc2ccc(C#N)cc21 ZINC001167050152 1117780984 /nfs/dbraw/zinc/78/09/84/1117780984.db2.gz SGJRIQHZSRNPBK-UHFFFAOYSA-N 1 2 251.333 3.509 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CC(c4ccccc4)C3)c2c1 ZINC001167062675 1117844838 /nfs/dbraw/zinc/84/48/38/1117844838.db2.gz DNZLEPVMFOXESB-UHFFFAOYSA-N 1 2 285.350 3.710 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(F)cc3)n2c1 ZINC000254943738 1117909888 /nfs/dbraw/zinc/90/98/88/1117909888.db2.gz PGOUVSFOEXNQKO-FPLPWBNLSA-N 1 2 280.302 3.678 20 30 CHEDLO C[C@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1ccco1 ZINC000182027470 1118011288 /nfs/dbraw/zinc/01/12/88/1118011288.db2.gz WXDGQFQVNKCAGN-MRXNPFEDSA-N 1 2 282.387 3.874 20 30 CHEDLO C[C@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1ccco1 ZINC000182027470 1118011294 /nfs/dbraw/zinc/01/12/94/1118011294.db2.gz WXDGQFQVNKCAGN-MRXNPFEDSA-N 1 2 282.387 3.874 20 30 CHEDLO C#CC[N@@H+](Cc1cc(Cl)cc(Cl)c1OC)C1CC1 ZINC000764675868 1118106088 /nfs/dbraw/zinc/10/60/88/1118106088.db2.gz CBOANBXCMZSSNX-UHFFFAOYSA-N 1 2 284.186 3.600 20 30 CHEDLO C#CC[N@H+](Cc1cc(Cl)cc(Cl)c1OC)C1CC1 ZINC000764675868 1118106089 /nfs/dbraw/zinc/10/60/89/1118106089.db2.gz CBOANBXCMZSSNX-UHFFFAOYSA-N 1 2 284.186 3.600 20 30 CHEDLO CCCCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000610346482 1118341016 /nfs/dbraw/zinc/34/10/16/1118341016.db2.gz VOZJIKKPEZAYAD-CHWSQXEVSA-N 1 2 298.390 3.696 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616756145 1128799642 /nfs/dbraw/zinc/79/96/42/1128799642.db2.gz LTZYUGNLAQAOOM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616756145 1128799646 /nfs/dbraw/zinc/79/96/46/1128799646.db2.gz LTZYUGNLAQAOOM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO COCC#CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000677132574 1118784171 /nfs/dbraw/zinc/78/41/71/1118784171.db2.gz GIQNTEJQIBRBAC-NSHDSACASA-N 1 2 286.202 3.636 20 30 CHEDLO COCC#CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000677132574 1118784168 /nfs/dbraw/zinc/78/41/68/1118784168.db2.gz GIQNTEJQIBRBAC-NSHDSACASA-N 1 2 286.202 3.636 20 30 CHEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000891805351 1118785034 /nfs/dbraw/zinc/78/50/34/1118785034.db2.gz HYJOYOKUQKXGDP-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000891805351 1118785036 /nfs/dbraw/zinc/78/50/36/1118785036.db2.gz HYJOYOKUQKXGDP-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000091983149 1118837605 /nfs/dbraw/zinc/83/76/05/1118837605.db2.gz AWECAGHJQOXVCN-JTQLQIEISA-N 1 2 288.288 3.826 20 30 CHEDLO CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000091983149 1118837609 /nfs/dbraw/zinc/83/76/09/1118837609.db2.gz AWECAGHJQOXVCN-JTQLQIEISA-N 1 2 288.288 3.826 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000255424234 1118908641 /nfs/dbraw/zinc/90/86/41/1118908641.db2.gz SFJMXLSMSYHVHD-MSKPBERXSA-N 1 2 295.382 3.979 20 30 CHEDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(C)s1 ZINC000610946358 1118910892 /nfs/dbraw/zinc/91/08/92/1118910892.db2.gz GKSQUXXJPSRMSE-VIFPVBQESA-N 1 2 289.379 3.622 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2cccc(C#N)c2F)cc1 ZINC001216418283 1119068047 /nfs/dbraw/zinc/06/80/47/1119068047.db2.gz WXFHSUHZBFPWRH-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2cccc(C#N)c2F)cc1 ZINC001216418283 1119068050 /nfs/dbraw/zinc/06/80/50/1119068050.db2.gz WXFHSUHZBFPWRH-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C)n1 ZINC000342600632 1119097290 /nfs/dbraw/zinc/09/72/90/1119097290.db2.gz KLBLKABSMSTCSJ-UHFFFAOYSA-N 1 2 259.397 3.542 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C)n1 ZINC000342600632 1119097293 /nfs/dbraw/zinc/09/72/93/1119097293.db2.gz KLBLKABSMSTCSJ-UHFFFAOYSA-N 1 2 259.397 3.542 20 30 CHEDLO Cc1nc2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2s1 ZINC000617314404 1128829001 /nfs/dbraw/zinc/82/90/01/1128829001.db2.gz XKVSNQJOFUKWBV-INIZCTEOSA-N 1 2 285.416 3.730 20 30 CHEDLO Cc1nc2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2s1 ZINC000617314404 1128829007 /nfs/dbraw/zinc/82/90/07/1128829007.db2.gz XKVSNQJOFUKWBV-INIZCTEOSA-N 1 2 285.416 3.730 20 30 CHEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)CC2 ZINC000511195602 1119209967 /nfs/dbraw/zinc/20/99/67/1119209967.db2.gz AKJUIKDQIOGTTK-UHFFFAOYSA-N 1 2 268.404 3.646 20 30 CHEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC1(C#N)CC1)CC2 ZINC000511195602 1119209970 /nfs/dbraw/zinc/20/99/70/1119209970.db2.gz AKJUIKDQIOGTTK-UHFFFAOYSA-N 1 2 268.404 3.646 20 30 CHEDLO CC(C)[C@@H](C#N)c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167617229 1119214130 /nfs/dbraw/zinc/21/41/30/1119214130.db2.gz XAUPKOJCXVKDJH-MRXNPFEDSA-N 1 2 280.375 3.539 20 30 CHEDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000178790292 1119297083 /nfs/dbraw/zinc/29/70/83/1119297083.db2.gz VBIGEKSIPQKRBB-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO C=CCC[N@H+](Cc1ccccc1)Cc1nccnc1Cl ZINC001236615049 1128839302 /nfs/dbraw/zinc/83/93/02/1128839302.db2.gz NRLIPZAETGBLCZ-UHFFFAOYSA-N 1 2 287.794 3.708 20 30 CHEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1nccnc1Cl ZINC001236615049 1128839306 /nfs/dbraw/zinc/83/93/06/1128839306.db2.gz NRLIPZAETGBLCZ-UHFFFAOYSA-N 1 2 287.794 3.708 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000135041569 1119492640 /nfs/dbraw/zinc/49/26/40/1119492640.db2.gz NKDOFRAWCTVSDD-LLVKDONJSA-N 1 2 257.164 3.775 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1oc(C)nc1C ZINC000685560749 1119630759 /nfs/dbraw/zinc/63/07/59/1119630759.db2.gz AFFUHYARDWBLND-UHFFFAOYSA-N 1 2 262.378 3.541 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1oc(C)nc1C ZINC000685560749 1119630761 /nfs/dbraw/zinc/63/07/61/1119630761.db2.gz AFFUHYARDWBLND-UHFFFAOYSA-N 1 2 262.378 3.541 20 30 CHEDLO O=C1c2ccc(F)cc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000176941104 1119646607 /nfs/dbraw/zinc/64/66/07/1119646607.db2.gz BGZFQDAZTICVBH-RAXLEYEMSA-N 1 2 292.313 3.686 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc2ccccc2o1 ZINC000255639107 1119679316 /nfs/dbraw/zinc/67/93/16/1119679316.db2.gz OQROGDFCNCJFRT-HJWRWDBZSA-N 1 2 288.306 3.977 20 30 CHEDLO CCc1cc(N2CCC[C@@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000612108721 1119700806 /nfs/dbraw/zinc/70/08/06/1119700806.db2.gz RMRNGXVNSDFDGV-SFHVURJKSA-N 1 2 279.387 3.927 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)s1 ZINC000255729390 1119735491 /nfs/dbraw/zinc/73/54/91/1119735491.db2.gz CJVUFUOJHIKHNK-WAYWQWQTSA-N 1 2 282.368 3.909 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(-c2ccccc2)no1 ZINC000926628063 1119747181 /nfs/dbraw/zinc/74/71/81/1119747181.db2.gz SDXOMDDMMYMOOV-ZDUSSCGKSA-N 1 2 281.359 3.686 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)c(Br)cn1 ZINC000628253988 1119763199 /nfs/dbraw/zinc/76/31/99/1119763199.db2.gz HGYRUPYTNXFYLB-ZDUSSCGKSA-N 1 2 295.224 3.693 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(Br)cn1 ZINC000628253988 1119763201 /nfs/dbraw/zinc/76/32/01/1119763201.db2.gz HGYRUPYTNXFYLB-ZDUSSCGKSA-N 1 2 295.224 3.693 20 30 CHEDLO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000612406422 1119783097 /nfs/dbraw/zinc/78/30/97/1119783097.db2.gz LWVUUCZRVHWDAA-SFHVURJKSA-N 1 2 284.403 3.526 20 30 CHEDLO CC1(C)Cc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000612406422 1119783099 /nfs/dbraw/zinc/78/30/99/1119783099.db2.gz LWVUUCZRVHWDAA-SFHVURJKSA-N 1 2 284.403 3.526 20 30 CHEDLO CCCOc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612405639 1119784593 /nfs/dbraw/zinc/78/45/93/1119784593.db2.gz BSQIHSWQINBBHS-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCOc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612405639 1119784596 /nfs/dbraw/zinc/78/45/96/1119784596.db2.gz BSQIHSWQINBBHS-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO C[C@@H](CC#N)[NH2+]Cc1sc2ccccc2c1Cl ZINC000612584319 1119802166 /nfs/dbraw/zinc/80/21/66/1119802166.db2.gz AKOQGOZHGIPZKN-VIFPVBQESA-N 1 2 264.781 3.946 20 30 CHEDLO COc1cc(Cl)c(C[NH2+]CC(C)(C)C#N)cc1Cl ZINC000612584895 1119802831 /nfs/dbraw/zinc/80/28/31/1119802831.db2.gz GQEKQQQRMGUCAQ-UHFFFAOYSA-N 1 2 287.190 3.641 20 30 CHEDLO C#CCCCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921662596 1120058021 /nfs/dbraw/zinc/05/80/21/1120058021.db2.gz NKWUGDQPCFYBJK-UHFFFAOYSA-N 1 2 295.386 3.826 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N)cc1Cl ZINC000782900423 1120062508 /nfs/dbraw/zinc/06/25/08/1120062508.db2.gz JHJXPXNORMMWGC-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000301162507 1120131330 /nfs/dbraw/zinc/13/13/30/1120131330.db2.gz GPZKLZGVQGXPDB-UHFFFAOYSA-N 1 2 296.761 3.514 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000181588521 1120326080 /nfs/dbraw/zinc/32/60/80/1120326080.db2.gz VDVNNCFNAPNZOD-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO CCSCc1ccc[nH+]c1NCc1csc(C#N)c1 ZINC000922336949 1120519239 /nfs/dbraw/zinc/51/92/39/1120519239.db2.gz GHEMTRYPTDVDJV-UHFFFAOYSA-N 1 2 289.429 3.880 20 30 CHEDLO COc1cccc2[nH]cc(CC/[NH+]=C/c3ccccc3O)c21 ZINC000182049303 1128923406 /nfs/dbraw/zinc/92/34/06/1128923406.db2.gz NLWDDBJBMMVYNV-YBFXNURJSA-N 1 2 294.354 3.544 20 30 CHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccsc2Cl)c1 ZINC000312785833 1120616744 /nfs/dbraw/zinc/61/67/44/1120616744.db2.gz VENASHLFGIUXOC-UHFFFAOYSA-N 1 2 280.755 3.702 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000625151967 1120639643 /nfs/dbraw/zinc/63/96/43/1120639643.db2.gz CTHBAEZBLQMDQL-UHFFFAOYSA-N 1 2 272.323 3.633 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)o1 ZINC000162207235 1120664890 /nfs/dbraw/zinc/66/48/90/1120664890.db2.gz OKZOXKOFEDFPKE-UHFFFAOYSA-N 1 2 292.338 3.947 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)o1 ZINC000162207235 1120664895 /nfs/dbraw/zinc/66/48/95/1120664895.db2.gz OKZOXKOFEDFPKE-UHFFFAOYSA-N 1 2 292.338 3.947 20 30 CHEDLO C=CC[N@@H+](Cc1csc(CCCC)n1)[C@@H](C)COC ZINC000661244563 1120743460 /nfs/dbraw/zinc/74/34/60/1120743460.db2.gz VEYXQFUMSKVOCH-ZDUSSCGKSA-N 1 2 282.453 3.509 20 30 CHEDLO C=CC[N@H+](Cc1csc(CCCC)n1)[C@@H](C)COC ZINC000661244563 1120743464 /nfs/dbraw/zinc/74/34/64/1120743464.db2.gz VEYXQFUMSKVOCH-ZDUSSCGKSA-N 1 2 282.453 3.509 20 30 CHEDLO C=CCOc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000006314126 1121067173 /nfs/dbraw/zinc/06/71/73/1121067173.db2.gz AVPBYCMDZSIBKH-UHFFFAOYSA-N 1 2 282.387 3.930 20 30 CHEDLO N#C[C@H]1CC[C@H](Nc2cc3cc(F)ccc3c[nH+]2)CC1 ZINC001167843159 1121070972 /nfs/dbraw/zinc/07/09/72/1121070972.db2.gz XKQVIASUZCRTQO-FUKZOUPISA-N 1 2 269.323 3.868 20 30 CHEDLO C=CCOc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000674144040 1121093159 /nfs/dbraw/zinc/09/31/59/1121093159.db2.gz OECXQWKJYJYWJJ-UHFFFAOYSA-N 1 2 281.346 3.919 20 30 CHEDLO Cc1cc(O)cc(C)c1C[N@H+](CCC#N)Cc1ccccc1 ZINC001139712176 1121154271 /nfs/dbraw/zinc/15/42/71/1121154271.db2.gz NLJFWBOBDLLBSS-UHFFFAOYSA-N 1 2 294.398 3.925 20 30 CHEDLO Cc1cc(O)cc(C)c1C[N@@H+](CCC#N)Cc1ccccc1 ZINC001139712176 1121154273 /nfs/dbraw/zinc/15/42/73/1121154273.db2.gz NLJFWBOBDLLBSS-UHFFFAOYSA-N 1 2 294.398 3.925 20 30 CHEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175343025 1121272325 /nfs/dbraw/zinc/27/23/25/1121272325.db2.gz CYLQHCSRPZSLKX-UHFFFAOYSA-N 1 2 286.766 3.725 20 30 CHEDLO Cc1ccc(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC001175352918 1121293814 /nfs/dbraw/zinc/29/38/14/1121293814.db2.gz PWCXDUZFFZVBSA-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175352284 1121294153 /nfs/dbraw/zinc/29/41/53/1121294153.db2.gz IBUJZVBPTBLUJE-UHFFFAOYSA-N 1 2 296.349 3.745 20 30 CHEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC001175351862 1121294244 /nfs/dbraw/zinc/29/42/44/1121294244.db2.gz WCAWPFUNJFPQQH-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO CC(C)c1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433019417 1121519211 /nfs/dbraw/zinc/51/92/11/1121519211.db2.gz NSPFLDKOALPDHE-HNNXBMFYSA-N 1 2 298.390 3.718 20 30 CHEDLO COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](C)C#N ZINC000543619727 1121528666 /nfs/dbraw/zinc/52/86/66/1121528666.db2.gz LXMLTUHSYRKZNY-CQSZACIVSA-N 1 2 280.371 3.611 20 30 CHEDLO C#Cc1cc(Nc2cccc(OC3CCCC3)c2)cc[nH+]1 ZINC001176097665 1121540144 /nfs/dbraw/zinc/54/01/44/1121540144.db2.gz RYSQNTDCNUSGFR-UHFFFAOYSA-N 1 2 278.355 3.550 20 30 CHEDLO COc1cc[nH+]cc1Nc1cccc(C(C)(C)C#N)c1 ZINC001176122561 1121558649 /nfs/dbraw/zinc/55/86/49/1121558649.db2.gz ARUIVHKUJPFFQU-UHFFFAOYSA-N 1 2 267.332 3.635 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001176123498 1121558677 /nfs/dbraw/zinc/55/86/77/1121558677.db2.gz WPJIJJWDBRCCBB-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO COc1cc[nH+]cc1Nc1cccc2c(C#N)cccc12 ZINC001176123058 1121558780 /nfs/dbraw/zinc/55/87/80/1121558780.db2.gz LMAMHFFKEZFUAS-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1cscc1Br ZINC000336668113 1121579520 /nfs/dbraw/zinc/57/95/20/1121579520.db2.gz ZQXCKRPFVVOCSP-UHFFFAOYSA-N 1 2 260.200 3.519 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1cscc1Br ZINC000336668113 1121579522 /nfs/dbraw/zinc/57/95/22/1121579522.db2.gz ZQXCKRPFVVOCSP-UHFFFAOYSA-N 1 2 260.200 3.519 20 30 CHEDLO C#Cc1cc(Nc2ccc(OCCC)c(Cl)c2)cc[nH+]1 ZINC001176306418 1121605924 /nfs/dbraw/zinc/60/59/24/1121605924.db2.gz PWMQWNADOZQZJJ-UHFFFAOYSA-N 1 2 286.762 3.671 20 30 CHEDLO CC(C)CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509799400 1121609435 /nfs/dbraw/zinc/60/94/35/1121609435.db2.gz NVASWUIJIYPTHS-OAHLLOKOSA-N 1 2 274.408 3.703 20 30 CHEDLO CC(C)CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509799400 1121609434 /nfs/dbraw/zinc/60/94/34/1121609434.db2.gz NVASWUIJIYPTHS-OAHLLOKOSA-N 1 2 274.408 3.703 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268797 1121633273 /nfs/dbraw/zinc/63/32/73/1121633273.db2.gz BQERRZPMJWXURU-UHFFFAOYSA-N 1 2 284.407 3.715 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268797 1121633276 /nfs/dbraw/zinc/63/32/76/1121633276.db2.gz BQERRZPMJWXURU-UHFFFAOYSA-N 1 2 284.407 3.715 20 30 CHEDLO C=CCn1cc(Nc2ccc([NH+]3CCCCC3)cc2)cn1 ZINC001176546691 1121651615 /nfs/dbraw/zinc/65/16/15/1121651615.db2.gz YOGKFCSHBFATSD-UHFFFAOYSA-N 1 2 282.391 3.803 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccsc1 ZINC000730146361 1121794223 /nfs/dbraw/zinc/79/42/23/1121794223.db2.gz SLUMBUWEHSJLQF-UHFFFAOYSA-N 1 2 267.357 3.554 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cc1 ZINC000730147786 1121794233 /nfs/dbraw/zinc/79/42/33/1121794233.db2.gz JZNBUWPJMLOXBU-UHFFFAOYSA-N 1 2 279.318 3.632 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C)s1 ZINC000730147731 1121794764 /nfs/dbraw/zinc/79/47/64/1121794764.db2.gz JCZRIGLLCLEPRG-UHFFFAOYSA-N 1 2 281.384 3.863 20 30 CHEDLO Cc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1F ZINC000731487463 1121870984 /nfs/dbraw/zinc/87/09/84/1121870984.db2.gz WNMGVOMWUHSFJR-UHFFFAOYSA-N 1 2 279.318 3.550 20 30 CHEDLO CC(C)c1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000182987529 1129015823 /nfs/dbraw/zinc/01/58/23/1129015823.db2.gz WQCXVEHQFPOHCK-UHFFFAOYSA-N 1 2 285.416 3.770 20 30 CHEDLO CC(C)c1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000182987529 1129015827 /nfs/dbraw/zinc/01/58/27/1129015827.db2.gz WQCXVEHQFPOHCK-UHFFFAOYSA-N 1 2 285.416 3.770 20 30 CHEDLO C#C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccc(Cl)cc1 ZINC001182159736 1122116360 /nfs/dbraw/zinc/11/63/60/1122116360.db2.gz BKBQSKCPDRMQAU-HOTGVXAUSA-N 1 2 282.774 3.686 20 30 CHEDLO C=C(Br)C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000711819204 1122351390 /nfs/dbraw/zinc/35/13/90/1122351390.db2.gz UECWDUFRGPFHNY-VIFPVBQESA-N 1 2 272.211 3.576 20 30 CHEDLO C=C(Br)C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000711819204 1122351394 /nfs/dbraw/zinc/35/13/94/1122351394.db2.gz UECWDUFRGPFHNY-VIFPVBQESA-N 1 2 272.211 3.576 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2c(C)ccc(C)c2C#N)c1 ZINC001203669178 1122445571 /nfs/dbraw/zinc/44/55/71/1122445571.db2.gz NNLVLDTYXWSONX-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO Cc1cc(C)c(NC(=O)/C=C/c2ccccc2C#N)c(C)[nH+]1 ZINC000193183317 1129057791 /nfs/dbraw/zinc/05/77/91/1129057791.db2.gz FTEFEGSYEPCCGT-CMDGGOBGSA-N 1 2 291.354 3.530 20 30 CHEDLO C=CC[N@@H+](CC(=O)OCC)Cc1c(C)ccc2ccccc21 ZINC001190635996 1122550240 /nfs/dbraw/zinc/55/02/40/1122550240.db2.gz YDVNZZPTJCWHDM-UHFFFAOYSA-N 1 2 297.398 3.699 20 30 CHEDLO C=CC[N@H+](CC(=O)OCC)Cc1c(C)ccc2ccccc21 ZINC001190635996 1122550245 /nfs/dbraw/zinc/55/02/45/1122550245.db2.gz YDVNZZPTJCWHDM-UHFFFAOYSA-N 1 2 297.398 3.699 20 30 CHEDLO Cc1nc(C[NH2+][C@H](CCC#N)c2ccccc2)sc1C ZINC000775554659 1122660709 /nfs/dbraw/zinc/66/07/09/1122660709.db2.gz YNWNGBLLGGQFSR-OAHLLOKOSA-N 1 2 285.416 3.895 20 30 CHEDLO Cc1cn2cccc(NC=Cc3ccc(C#N)cc3)c2[nH+]1 ZINC001203299115 1122832172 /nfs/dbraw/zinc/83/21/72/1122832172.db2.gz XKEDDUAJSCJAIU-CMDGGOBGSA-N 1 2 274.327 3.597 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001196348551 1122918394 /nfs/dbraw/zinc/91/83/94/1122918394.db2.gz OQMLRMAGMHKGHJ-IUODEOHRSA-N 1 2 292.220 3.998 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001196348551 1122918398 /nfs/dbraw/zinc/91/83/98/1122918398.db2.gz OQMLRMAGMHKGHJ-IUODEOHRSA-N 1 2 292.220 3.998 20 30 CHEDLO N#Cc1ccc(-c2ccc(Nc3ccc(N)[nH+]c3)cc2)cc1 ZINC001201284220 1123080725 /nfs/dbraw/zinc/08/07/25/1123080725.db2.gz NXZFYXMWUXUBAF-UHFFFAOYSA-N 1 2 286.338 3.946 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000343241200 1123095605 /nfs/dbraw/zinc/09/56/05/1123095605.db2.gz XYJZLQDHJNQSGN-AWEZNQCLSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000343241200 1123095610 /nfs/dbraw/zinc/09/56/10/1123095610.db2.gz XYJZLQDHJNQSGN-AWEZNQCLSA-N 1 2 260.768 3.781 20 30 CHEDLO Cc1ccnc(C#N)c1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201490524 1123109410 /nfs/dbraw/zinc/10/94/10/1123109410.db2.gz FYZWCDDNSLQWRG-UHFFFAOYSA-N 1 2 266.348 3.826 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(O)c(C#N)c2)cc1 ZINC001201498284 1123111092 /nfs/dbraw/zinc/11/10/92/1123111092.db2.gz WIUVFODNGDOXTK-UHFFFAOYSA-N 1 2 267.332 3.828 20 30 CHEDLO O=C1c2cc(F)ccc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000776192136 1123121727 /nfs/dbraw/zinc/12/17/27/1123121727.db2.gz IMAAGUDTONEYGB-LCYFTJDESA-N 1 2 292.313 3.686 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000776252609 1123179638 /nfs/dbraw/zinc/17/96/38/1123179638.db2.gz NJHIVIMMWJDTSJ-MRXNPFEDSA-N 1 2 285.774 3.900 20 30 CHEDLO C=C(Br)C[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000269610068 1129105033 /nfs/dbraw/zinc/10/50/33/1129105033.db2.gz DXVJPYVTMZMOIO-LLVKDONJSA-N 1 2 289.242 3.575 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000032514664 1123286258 /nfs/dbraw/zinc/28/62/58/1123286258.db2.gz YZHPCCIRTVPVGH-INIZCTEOSA-N 1 2 289.382 3.809 20 30 CHEDLO Clc1cc(N[NH+]=C2CC[C@H]3CNc4cccc2c43)ccn1 ZINC000853395361 1123439477 /nfs/dbraw/zinc/43/94/77/1123439477.db2.gz URPSCZCGKACEDK-JTQLQIEISA-N 1 2 298.777 3.854 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCC[C@]1(C)CC1(F)F ZINC000853848544 1123459019 /nfs/dbraw/zinc/45/90/19/1123459019.db2.gz DNTAHJOGSDFNOC-OAHLLOKOSA-N 1 2 294.345 3.721 20 30 CHEDLO CC(C)(C)C1=CC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428301077 1123589212 /nfs/dbraw/zinc/58/92/12/1123589212.db2.gz JDUVZEFKRAYMSN-UHFFFAOYSA-N 1 2 272.367 3.876 20 30 CHEDLO CC(C)(C)C1=CC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428301077 1123589217 /nfs/dbraw/zinc/58/92/17/1123589217.db2.gz JDUVZEFKRAYMSN-UHFFFAOYSA-N 1 2 272.367 3.876 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)s1 ZINC000119124697 1123832643 /nfs/dbraw/zinc/83/26/43/1123832643.db2.gz OVRVCVJJRDCOSU-VOTSOKGWSA-N 1 2 268.341 3.600 20 30 CHEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000173515674 1123873704 /nfs/dbraw/zinc/87/37/04/1123873704.db2.gz YCRRROWMSXOWGH-OAHLLOKOSA-N 1 2 289.379 3.569 20 30 CHEDLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866240243 1124040869 /nfs/dbraw/zinc/04/08/69/1124040869.db2.gz ZDCWQQLPPSHOLT-STQMWFEESA-N 1 2 296.370 3.684 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc(C#N)c1O ZINC000866249120 1124041197 /nfs/dbraw/zinc/04/11/97/1124041197.db2.gz HWVGRAAJPFXRDF-PIGZYNQJSA-N 1 2 296.345 3.741 20 30 CHEDLO CCc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866270960 1124044267 /nfs/dbraw/zinc/04/42/67/1124044267.db2.gz ZOWDHRSIXOWPTP-CYBMUJFWSA-N 1 2 280.371 3.677 20 30 CHEDLO C=CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccncc1 ZINC000866268326 1124044423 /nfs/dbraw/zinc/04/44/23/1124044423.db2.gz SLNKVSDARDWYPH-XYJFISCASA-N 1 2 298.361 3.760 20 30 CHEDLO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866294720 1124048457 /nfs/dbraw/zinc/04/84/57/1124048457.db2.gz MEECUPFVEFXXSC-ACJLOTCBSA-N 1 2 292.382 3.910 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccc(C#N)c1O ZINC000866348774 1124056010 /nfs/dbraw/zinc/05/60/10/1124056010.db2.gz VALOVNCBUDCBNY-CYBMUJFWSA-N 1 2 292.382 3.992 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1cccc(C#N)c1F ZINC000444709720 1124056118 /nfs/dbraw/zinc/05/61/18/1124056118.db2.gz QWXZZFIEUGIPIR-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cccc(C#N)c1F ZINC000444709720 1124056121 /nfs/dbraw/zinc/05/61/21/1124056121.db2.gz QWXZZFIEUGIPIR-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[C@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)c1ccccc1 ZINC000444720330 1124057116 /nfs/dbraw/zinc/05/71/16/1124057116.db2.gz SQSWIBQOZGOWEJ-GDBMZVCRSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)c1ccccc1 ZINC000444720330 1124057119 /nfs/dbraw/zinc/05/71/19/1124057119.db2.gz SQSWIBQOZGOWEJ-GDBMZVCRSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 ZINC000444720333 1124057259 /nfs/dbraw/zinc/05/72/59/1124057259.db2.gz SQSWIBQOZGOWEJ-ZBFHGGJFSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 ZINC000444720333 1124057265 /nfs/dbraw/zinc/05/72/65/1124057265.db2.gz SQSWIBQOZGOWEJ-ZBFHGGJFSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 ZINC000444720332 1124057788 /nfs/dbraw/zinc/05/77/88/1124057788.db2.gz SQSWIBQOZGOWEJ-HOCLYGCPSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccccc1 ZINC000444720332 1124057791 /nfs/dbraw/zinc/05/77/91/1124057791.db2.gz SQSWIBQOZGOWEJ-HOCLYGCPSA-N 1 2 256.393 3.804 20 30 CHEDLO NC(=[NH+]OC/C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000021653744 1124086487 /nfs/dbraw/zinc/08/64/87/1124086487.db2.gz LKELUMSLXKAONC-QPJJXVBHSA-N 1 2 286.762 3.690 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(Cl)c(OC)cc1F ZINC001238792272 1131250134 /nfs/dbraw/zinc/25/01/34/1131250134.db2.gz HGRPZXWDGHDKOY-UHFFFAOYSA-N 1 2 269.747 3.662 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000526057080 1124502677 /nfs/dbraw/zinc/50/26/77/1124502677.db2.gz HQCUAQDLAKDXHY-ZRMMWKCHSA-N 1 2 274.795 3.977 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000526057080 1124502686 /nfs/dbraw/zinc/50/26/86/1124502686.db2.gz HQCUAQDLAKDXHY-ZRMMWKCHSA-N 1 2 274.795 3.977 20 30 CHEDLO CCC(C)(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000447908761 1124542460 /nfs/dbraw/zinc/54/24/60/1124542460.db2.gz VKWJYSLWSIKNGS-DOTOQJQBSA-N 1 2 278.440 3.740 20 30 CHEDLO CCC(C)(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000447908761 1124542463 /nfs/dbraw/zinc/54/24/63/1124542463.db2.gz VKWJYSLWSIKNGS-DOTOQJQBSA-N 1 2 278.440 3.740 20 30 CHEDLO CC[N@@H+](Cc1cc2ccccc2cc1OC)C[C@H](C)C#N ZINC000449014228 1124630083 /nfs/dbraw/zinc/63/00/83/1124630083.db2.gz HHJZIVLMBRZSJZ-CQSZACIVSA-N 1 2 282.387 3.830 20 30 CHEDLO CC[N@H+](Cc1cc2ccccc2cc1OC)C[C@H](C)C#N ZINC000449014228 1124630086 /nfs/dbraw/zinc/63/00/86/1124630086.db2.gz HHJZIVLMBRZSJZ-CQSZACIVSA-N 1 2 282.387 3.830 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncccc1Cl ZINC000528528382 1124684673 /nfs/dbraw/zinc/68/46/73/1124684673.db2.gz YLOVWLCRLKIWQU-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncccc1Cl ZINC000528528382 1124684676 /nfs/dbraw/zinc/68/46/76/1124684676.db2.gz YLOVWLCRLKIWQU-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C=C(Cl)CN1C[C@@H](CC)[N@@H+](CC(=C)Cl)C[C@H]1CC ZINC000125453113 1124892008 /nfs/dbraw/zinc/89/20/08/1124892008.db2.gz RITGXVUDRXODOM-ZIAGYGMSSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Cl)CN1C[C@@H](CC)[N@H+](CC(=C)Cl)C[C@H]1CC ZINC000125453113 1124892014 /nfs/dbraw/zinc/89/20/14/1124892014.db2.gz RITGXVUDRXODOM-ZIAGYGMSSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Cl)CN1C[C@H](CC)[N@@H+](CC(=C)Cl)C[C@H]1CC ZINC000125453301 1124893023 /nfs/dbraw/zinc/89/30/23/1124893023.db2.gz RITGXVUDRXODOM-OKILXGFUSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Cl)CN1C[C@H](CC)[N@H+](CC(=C)Cl)C[C@H]1CC ZINC000125453301 1124893029 /nfs/dbraw/zinc/89/30/29/1124893029.db2.gz RITGXVUDRXODOM-OKILXGFUSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Cl)CN1C[C@@H](CC)[N@@H+](CC(=C)Cl)C[C@@H]1CC ZINC000125453301 1124893048 /nfs/dbraw/zinc/89/30/48/1124893048.db2.gz RITGXVUDRXODOM-OKILXGFUSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Cl)CN1C[C@@H](CC)[N@H+](CC(=C)Cl)C[C@@H]1CC ZINC000125453301 1124893060 /nfs/dbraw/zinc/89/30/60/1124893060.db2.gz RITGXVUDRXODOM-OKILXGFUSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Br)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340152 1124941684 /nfs/dbraw/zinc/94/16/84/1124941684.db2.gz BBHVBWLGMKPXHW-GFCCVEGCSA-N 1 2 293.208 3.850 20 30 CHEDLO C=C(Br)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340152 1124941686 /nfs/dbraw/zinc/94/16/86/1124941686.db2.gz BBHVBWLGMKPXHW-GFCCVEGCSA-N 1 2 293.208 3.850 20 30 CHEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000876559554 1124959166 /nfs/dbraw/zinc/95/91/66/1124959166.db2.gz CPKYWNHPJPLXKB-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000876559554 1124959175 /nfs/dbraw/zinc/95/91/75/1124959175.db2.gz CPKYWNHPJPLXKB-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876690838 1124969973 /nfs/dbraw/zinc/96/99/73/1124969973.db2.gz SOPBRBZWOCYKHT-CYBMUJFWSA-N 1 2 260.381 3.598 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876690838 1124969977 /nfs/dbraw/zinc/96/99/77/1124969977.db2.gz SOPBRBZWOCYKHT-CYBMUJFWSA-N 1 2 260.381 3.598 20 30 CHEDLO N#CCC[N@@H+](CCc1ccc(Cl)cc1)Cc1ccco1 ZINC000450463442 1125027676 /nfs/dbraw/zinc/02/76/76/1125027676.db2.gz PAKDRFYEHUUKFK-UHFFFAOYSA-N 1 2 288.778 3.891 20 30 CHEDLO N#CCC[N@H+](CCc1ccc(Cl)cc1)Cc1ccco1 ZINC000450463442 1125027685 /nfs/dbraw/zinc/02/76/85/1125027685.db2.gz PAKDRFYEHUUKFK-UHFFFAOYSA-N 1 2 288.778 3.891 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1nc(C)c(Br)s1 ZINC000877935106 1125104083 /nfs/dbraw/zinc/10/40/83/1125104083.db2.gz IBAQOTTUMATMCM-UHFFFAOYSA-N 1 2 289.242 3.612 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1nc(C)c(Br)s1 ZINC000877935106 1125104088 /nfs/dbraw/zinc/10/40/88/1125104088.db2.gz IBAQOTTUMATMCM-UHFFFAOYSA-N 1 2 289.242 3.612 20 30 CHEDLO CC(C)c1nnc(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)s1 ZINC000025790948 1125224801 /nfs/dbraw/zinc/22/48/01/1125224801.db2.gz FTLGXEDQHRBWAO-GHMZBOCLSA-N 1 2 296.440 3.512 20 30 CHEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136516 1125301433 /nfs/dbraw/zinc/30/14/33/1125301433.db2.gz ZABRYNFXQVITFC-JKSUJKDBSA-N 1 2 297.389 3.512 20 30 CHEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136516 1125301440 /nfs/dbraw/zinc/30/14/40/1125301440.db2.gz ZABRYNFXQVITFC-JKSUJKDBSA-N 1 2 297.389 3.512 20 30 CHEDLO C=CCCC[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000882235169 1125341793 /nfs/dbraw/zinc/34/17/93/1125341793.db2.gz HYZKDSACAAZARY-KRWDZBQOSA-N 1 2 297.402 3.556 20 30 CHEDLO C=CCCC[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000882235169 1125341794 /nfs/dbraw/zinc/34/17/94/1125341794.db2.gz HYZKDSACAAZARY-KRWDZBQOSA-N 1 2 297.402 3.556 20 30 CHEDLO Cc1cc(NCc2cccc(OCCCC#N)c2)c[nH+]c1C ZINC000883342176 1125398748 /nfs/dbraw/zinc/39/87/48/1125398748.db2.gz NEBYEULQBXWIBL-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(Cl)c1 ZINC000133158733 1125434350 /nfs/dbraw/zinc/43/43/50/1125434350.db2.gz MWQKDWFWYBUHMR-BQYQJAHWSA-N 1 2 282.730 3.884 20 30 CHEDLO C=CC[N@@H+](Cc1cscc1Br)C1CC1 ZINC000348262540 1125448932 /nfs/dbraw/zinc/44/89/32/1125448932.db2.gz PMMOINXQWRCJON-UHFFFAOYSA-N 1 2 272.211 3.661 20 30 CHEDLO C=CC[N@H+](Cc1cscc1Br)C1CC1 ZINC000348262540 1125448933 /nfs/dbraw/zinc/44/89/33/1125448933.db2.gz PMMOINXQWRCJON-UHFFFAOYSA-N 1 2 272.211 3.661 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000133412474 1125455258 /nfs/dbraw/zinc/45/52/58/1125455258.db2.gz ARNXTNNFTJJCLM-NSHDSACASA-N 1 2 270.829 3.767 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000133412474 1125455259 /nfs/dbraw/zinc/45/52/59/1125455259.db2.gz ARNXTNNFTJJCLM-NSHDSACASA-N 1 2 270.829 3.767 20 30 CHEDLO CC[N@H+](C)c1ccc(NC2=CC[C@@H](C#N)CC2)cc1 ZINC001212868353 1129204356 /nfs/dbraw/zinc/20/43/56/1129204356.db2.gz OGUPMUJWOOJIKA-CYBMUJFWSA-N 1 2 255.365 3.762 20 30 CHEDLO CC[N@@H+](C)c1ccc(NC2=CC[C@@H](C#N)CC2)cc1 ZINC001212868353 1129204359 /nfs/dbraw/zinc/20/43/59/1129204359.db2.gz OGUPMUJWOOJIKA-CYBMUJFWSA-N 1 2 255.365 3.762 20 30 CHEDLO CCCCCCCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983916 1129289928 /nfs/dbraw/zinc/28/99/28/1129289928.db2.gz RGZHCLMDXYFPAA-UHFFFAOYSA-N 1 2 291.439 3.797 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735561754 1129351504 /nfs/dbraw/zinc/35/15/04/1129351504.db2.gz DAGHRVKYPABKBK-CYBMUJFWSA-N 1 2 253.798 3.529 20 30 CHEDLO C=C(Cl)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735561754 1129351508 /nfs/dbraw/zinc/35/15/08/1129351508.db2.gz DAGHRVKYPABKBK-CYBMUJFWSA-N 1 2 253.798 3.529 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)Cc2cccs2)c1 ZINC000741464480 1129436750 /nfs/dbraw/zinc/43/67/50/1129436750.db2.gz PDBDAVNBMSWIDD-PBSOMRJOSA-N 1 2 289.400 3.760 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CC(C2CC2)C2CC2)c1O ZINC000743044900 1129511800 /nfs/dbraw/zinc/51/18/00/1129511800.db2.gz TXDUCBVRABGJJA-ZDLGFXPLSA-N 1 2 273.376 3.646 20 30 CHEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000746157967 1129627596 /nfs/dbraw/zinc/62/75/96/1129627596.db2.gz ZWEKHMBKSHXVFC-UHFFFAOYSA-N 1 2 271.310 3.600 20 30 CHEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000746157967 1129627597 /nfs/dbraw/zinc/62/75/97/1129627597.db2.gz ZWEKHMBKSHXVFC-UHFFFAOYSA-N 1 2 271.310 3.600 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1ccc(C)cn1 ZINC001168850330 1129680325 /nfs/dbraw/zinc/68/03/25/1129680325.db2.gz INHOMDLTVXGVKX-AWEZNQCLSA-N 1 2 267.376 3.995 20 30 CHEDLO C#CC[N@@H+](Cc1nc(Cl)ccc1Cl)C1CCCC1 ZINC000766797066 1129749502 /nfs/dbraw/zinc/74/95/02/1129749502.db2.gz QPAGFNPKJVDIMK-UHFFFAOYSA-N 1 2 283.202 3.766 20 30 CHEDLO C#CC[N@H+](Cc1nc(Cl)ccc1Cl)C1CCCC1 ZINC000766797066 1129749506 /nfs/dbraw/zinc/74/95/06/1129749506.db2.gz QPAGFNPKJVDIMK-UHFFFAOYSA-N 1 2 283.202 3.766 20 30 CHEDLO C=CC(C)(C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000822729968 1131396508 /nfs/dbraw/zinc/39/65/08/1131396508.db2.gz DFFLYWMFAMRGGS-UHFFFAOYSA-N 1 2 283.375 3.844 20 30 CHEDLO Cc1cccc(C[N@H+](CCC#N)C2CCCC2)c1F ZINC001137675910 1131397488 /nfs/dbraw/zinc/39/74/88/1131397488.db2.gz BGJPFUOFPVBKBP-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO Cc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1F ZINC001137675910 1131397494 /nfs/dbraw/zinc/39/74/94/1131397494.db2.gz BGJPFUOFPVBKBP-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO CCC[N@H+](Cc1coc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000768485165 1129857544 /nfs/dbraw/zinc/85/75/44/1129857544.db2.gz UDXZCXFXFQRHHX-UHFFFAOYSA-N 1 2 295.386 3.836 20 30 CHEDLO CCC[N@@H+](Cc1coc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000768485165 1129857547 /nfs/dbraw/zinc/85/75/47/1129857547.db2.gz UDXZCXFXFQRHHX-UHFFFAOYSA-N 1 2 295.386 3.836 20 30 CHEDLO Cc1ccsc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000769610465 1129919044 /nfs/dbraw/zinc/91/90/44/1129919044.db2.gz QMUDAKGAYWOTNT-WAYWQWQTSA-N 1 2 268.341 3.600 20 30 CHEDLO Cc1cc(F)ccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000769611177 1129919100 /nfs/dbraw/zinc/91/91/00/1129919100.db2.gz WQNGTUHAHMDYRQ-VURMDHGXSA-N 1 2 280.302 3.678 20 30 CHEDLO O=C1c2ccsc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000769610440 1129919189 /nfs/dbraw/zinc/91/91/89/1129919189.db2.gz QGUZTCLBOKQKHU-KHPPLWFESA-N 1 2 280.352 3.608 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc(F)ccc1F ZINC000769606722 1129919314 /nfs/dbraw/zinc/91/93/14/1129919314.db2.gz DLBWGALIXRKDJE-FNORWQNLSA-N 1 2 284.265 3.509 20 30 CHEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000901418879 1129923781 /nfs/dbraw/zinc/92/37/81/1129923781.db2.gz QWJSJZFGPIQBEL-KTKRTIGZSA-N 1 2 268.360 3.614 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c(C)c1 ZINC000901431940 1129924853 /nfs/dbraw/zinc/92/48/53/1129924853.db2.gz ZCDVUWOHTSDDFQ-VURMDHGXSA-N 1 2 268.360 3.977 20 30 CHEDLO COc1ccc(C)cc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901443212 1129925578 /nfs/dbraw/zinc/92/55/78/1129925578.db2.gz MMQYCIPVOHGRKL-VOTSOKGWSA-N 1 2 284.359 3.677 20 30 CHEDLO Cc1[nH]c(/C=C2/C[C@H](C)c3ccccc3C2=O)[nH+]c1C ZINC000901486306 1129929718 /nfs/dbraw/zinc/92/97/18/1129929718.db2.gz ARSRTGWKSVILOM-AVMBBCFPSA-N 1 2 266.344 3.800 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C)c(C)s1)[C@H]1CCc2ccccc21 ZINC000746504078 1129946834 /nfs/dbraw/zinc/94/68/34/1129946834.db2.gz XXRQCQDWGBSHOH-KRWDZBQOSA-N 1 2 296.439 3.883 20 30 CHEDLO C#CC[N@H+](Cc1nc(C)c(C)s1)[C@H]1CCc2ccccc21 ZINC000746504078 1129946836 /nfs/dbraw/zinc/94/68/36/1129946836.db2.gz XXRQCQDWGBSHOH-KRWDZBQOSA-N 1 2 296.439 3.883 20 30 CHEDLO CCOC(=[NH2+])c1ccc(-c2ccc(C)cc2C#N)cc1 ZINC001242593456 1129947120 /nfs/dbraw/zinc/94/71/20/1129947120.db2.gz QFFCAJBSZNSXML-UHFFFAOYSA-N 1 2 264.328 3.896 20 30 CHEDLO FC(F)(F)c1cccc2cc[nH+]c(NCCCS)c21 ZINC001171000683 1131410510 /nfs/dbraw/zinc/41/05/10/1131410510.db2.gz CAPJXIHWMPPLIY-UHFFFAOYSA-N 1 2 286.322 3.985 20 30 CHEDLO SCCCNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001171003288 1131411312 /nfs/dbraw/zinc/41/13/12/1131411312.db2.gz SFDIHIHUNAJCAB-UHFFFAOYSA-N 1 2 283.400 3.962 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c(O)c1 ZINC000771859571 1129994073 /nfs/dbraw/zinc/99/40/73/1129994073.db2.gz NTSJJTCLKMIRNJ-FNORWQNLSA-N 1 2 292.338 3.553 20 30 CHEDLO Cc1cc(N[C@H](C)c2cc(C#N)ccn2)ccc1[NH+](C)C ZINC000902932289 1130086582 /nfs/dbraw/zinc/08/65/82/1130086582.db2.gz GKGCLJCEHDGHFZ-CYBMUJFWSA-N 1 2 280.375 3.501 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(-c2ccco2)s1 ZINC000787047745 1130128020 /nfs/dbraw/zinc/12/80/20/1130128020.db2.gz DGVZYARQCCCTQR-UHFFFAOYSA-N 1 2 289.404 3.775 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(-c2ccco2)s1 ZINC000787047745 1130128025 /nfs/dbraw/zinc/12/80/25/1130128025.db2.gz DGVZYARQCCCTQR-UHFFFAOYSA-N 1 2 289.404 3.775 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1ncccn1)c1cccc(Cl)c1 ZINC000903203666 1130130182 /nfs/dbraw/zinc/13/01/82/1130130182.db2.gz MUVHIVRPJIQFDE-OAHLLOKOSA-N 1 2 287.794 3.927 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(C2CCCC2)n1 ZINC000787999237 1130168440 /nfs/dbraw/zinc/16/84/40/1130168440.db2.gz MHIVCCYOZIWGMP-UHFFFAOYSA-N 1 2 262.422 3.644 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC000787999237 1130168441 /nfs/dbraw/zinc/16/84/41/1130168441.db2.gz MHIVCCYOZIWGMP-UHFFFAOYSA-N 1 2 262.422 3.644 20 30 CHEDLO CC(=[NH+]Nc1ccccc1)c1ccc(N2CCCC2)cc1O ZINC000748247246 1130224337 /nfs/dbraw/zinc/22/43/37/1130224337.db2.gz SEFOOARKXLWPCO-UHFFFAOYSA-N 1 2 295.386 3.829 20 30 CHEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1Cl ZINC001240401681 1130292445 /nfs/dbraw/zinc/29/24/45/1130292445.db2.gz CPHHBHDWPCQPCH-UHFFFAOYSA-N 1 2 253.692 3.526 20 30 CHEDLO COc1cc2[nH+]ccn2cc1-c1ccc(Cl)c(C#N)c1 ZINC001240403829 1130292512 /nfs/dbraw/zinc/29/25/12/1130292512.db2.gz VAWDMJKRRHHDFA-UHFFFAOYSA-N 1 2 283.718 3.535 20 30 CHEDLO N#CCc1c[nH]c2cccc(-c3ccn4cc[nH+]c4c3)c12 ZINC001240512242 1130336948 /nfs/dbraw/zinc/33/69/48/1130336948.db2.gz SBHPDLPFDLEFFY-UHFFFAOYSA-N 1 2 272.311 3.549 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240513378 1130337875 /nfs/dbraw/zinc/33/78/75/1130337875.db2.gz OMQWYOSENCBHEQ-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO C=CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)C(C)(C)C ZINC001157585643 1130374652 /nfs/dbraw/zinc/37/46/52/1130374652.db2.gz MYRRIYBGODNSED-UHFFFAOYSA-N 1 2 261.413 3.873 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCCOC2CCCC2)c(O)c1 ZINC000747033723 1130392399 /nfs/dbraw/zinc/39/23/99/1130392399.db2.gz UHWUTFNKNNOGLZ-AQTBWJFISA-N 1 2 291.391 3.559 20 30 CHEDLO C[C@H](N[NH+]=Cc1ccc(N2CCCCC2)o1)C(C)(C)C ZINC000793111559 1130519873 /nfs/dbraw/zinc/51/98/73/1130519873.db2.gz JDUSFYUUZJYTQS-ZDUSSCGKSA-N 1 2 277.412 3.628 20 30 CHEDLO N#CCOc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001212607930 1130906977 /nfs/dbraw/zinc/90/69/77/1130906977.db2.gz HJCZSGRZPKYOGI-UHFFFAOYSA-N 1 2 290.326 3.518 20 30 CHEDLO CC(=[NH+]Nc1cccc2cnccc21)c1cc(N)ccc1F ZINC000814835957 1130922171 /nfs/dbraw/zinc/92/21/71/1130922171.db2.gz FZUSKIOCYJHDPZ-UHFFFAOYSA-N 1 2 294.333 3.792 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)nc1C(F)(F)F ZINC000797602485 1130997784 /nfs/dbraw/zinc/99/77/84/1130997784.db2.gz RRXDBNGDOLAMSM-SECBINFHSA-N 1 2 291.704 3.536 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000797785064 1131001716 /nfs/dbraw/zinc/00/17/16/1131001716.db2.gz SLGSOHSGDUZPGA-MHGUWOPYSA-N 1 2 295.382 3.946 20 30 CHEDLO CCCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815600931 1131007078 /nfs/dbraw/zinc/00/70/78/1131007078.db2.gz JBYSULXBEOCQCP-HNNXBMFYSA-N 1 2 290.386 3.593 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(-c2ccccc2)o1 ZINC001237374496 1131092729 /nfs/dbraw/zinc/09/27/29/1131092729.db2.gz SNXSNIRTIKCVQZ-UHFFFAOYSA-N 1 2 283.375 3.857 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)o1 ZINC001237374496 1131092735 /nfs/dbraw/zinc/09/27/35/1131092735.db2.gz SNXSNIRTIKCVQZ-UHFFFAOYSA-N 1 2 283.375 3.857 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cc(F)cc2Cl)C1 ZINC001237598132 1131117295 /nfs/dbraw/zinc/11/72/95/1131117295.db2.gz IOVUGAWAQIALBP-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cc(F)cc2Cl)C1 ZINC001237598132 1131117297 /nfs/dbraw/zinc/11/72/97/1131117297.db2.gz IOVUGAWAQIALBP-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO N#Cc1ccc(N[NH2+]C=CC(F)(F)F)c(C(F)(F)F)c1 ZINC000817328069 1131154386 /nfs/dbraw/zinc/15/43/86/1131154386.db2.gz WAIIPKQYYCOLAD-UHFFFAOYSA-N 1 2 295.186 3.927 20 30 CHEDLO CC(C)Oc1cncc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001238464164 1131203830 /nfs/dbraw/zinc/20/38/30/1131203830.db2.gz CMVKAIGNVZUNNQ-UHFFFAOYSA-N 1 2 287.407 3.527 20 30 CHEDLO CC(C)Oc1cncc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001238464164 1131203833 /nfs/dbraw/zinc/20/38/33/1131203833.db2.gz CMVKAIGNVZUNNQ-UHFFFAOYSA-N 1 2 287.407 3.527 20 30 CHEDLO Cc1cccc(C)c1NC(=[NH2+])c1ccc2ccccc2n1 ZINC001171046419 1131455314 /nfs/dbraw/zinc/45/53/14/1131455314.db2.gz PENSZPRLFDQXFS-UHFFFAOYSA-N 1 2 275.355 3.889 20 30 CHEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc2cc[nH]c2c[nH+]1 ZINC001171059519 1131474749 /nfs/dbraw/zinc/47/47/49/1131474749.db2.gz MVIYQHGWHCARPM-OAHLLOKOSA-N 1 2 274.327 3.534 20 30 CHEDLO CN(C)c1ccc(C[N@H+](CCC#N)Cc2ccccc2)s1 ZINC001138489141 1131512341 /nfs/dbraw/zinc/51/23/41/1131512341.db2.gz OTUHZPVLZSAXRS-UHFFFAOYSA-N 1 2 299.443 3.730 20 30 CHEDLO CN(C)c1ccc(C[N@@H+](CCC#N)Cc2ccccc2)s1 ZINC001138489141 1131512343 /nfs/dbraw/zinc/51/23/43/1131512343.db2.gz OTUHZPVLZSAXRS-UHFFFAOYSA-N 1 2 299.443 3.730 20 30 CHEDLO C[N@H+](Cc1ccccc1O)Cc1c(Cl)cccc1C#N ZINC001143730918 1131528791 /nfs/dbraw/zinc/52/87/91/1131528791.db2.gz GHIZLTGDMVBGTN-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1ccccc1O)Cc1c(Cl)cccc1C#N ZINC001143730918 1131528796 /nfs/dbraw/zinc/52/87/96/1131528796.db2.gz GHIZLTGDMVBGTN-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1cncs1 ZINC001138666262 1131535153 /nfs/dbraw/zinc/53/51/53/1131535153.db2.gz ODBRGWLTABXQNF-UHFFFAOYSA-N 1 2 288.416 3.730 20 30 CHEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cncs1 ZINC001138666262 1131535155 /nfs/dbraw/zinc/53/51/55/1131535155.db2.gz ODBRGWLTABXQNF-UHFFFAOYSA-N 1 2 288.416 3.730 20 30 CHEDLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143897404 1131550043 /nfs/dbraw/zinc/55/00/43/1131550043.db2.gz DVLFDOMLORUPOG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143897404 1131550046 /nfs/dbraw/zinc/55/00/46/1131550046.db2.gz DVLFDOMLORUPOG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccc(OCC#N)cc2)cc1 ZINC001212613492 1131593419 /nfs/dbraw/zinc/59/34/19/1131593419.db2.gz WQMDFNLDLLZLHF-UHFFFAOYSA-N 1 2 281.359 3.789 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccc(OCC#N)cc2)cc1 ZINC001212613492 1131593423 /nfs/dbraw/zinc/59/34/23/1131593423.db2.gz WQMDFNLDLLZLHF-UHFFFAOYSA-N 1 2 281.359 3.789 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cccc(Br)c1F ZINC001139532927 1131613707 /nfs/dbraw/zinc/61/37/07/1131613707.db2.gz RECRLFNVMMPDIL-UHFFFAOYSA-N 1 2 284.172 3.762 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(O)cc1C(F)(F)F ZINC001144385873 1131623030 /nfs/dbraw/zinc/62/30/30/1131623030.db2.gz IUXPAKFDYCNTCQ-UHFFFAOYSA-N 1 2 286.297 3.537 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(O)cc1C(F)(F)F ZINC001144385873 1131623033 /nfs/dbraw/zinc/62/30/33/1131623033.db2.gz IUXPAKFDYCNTCQ-UHFFFAOYSA-N 1 2 286.297 3.537 20 30 CHEDLO N#Cc1c(Cl)cccc1C[NH+]1CC(c2ccccc2)C1 ZINC001139691651 1131628729 /nfs/dbraw/zinc/62/87/29/1131628729.db2.gz CQJAKSVCEKDWPY-UHFFFAOYSA-N 1 2 282.774 3.811 20 30 CHEDLO C=CC[N@@H+](Cc1c(F)cc(O)cc1F)C1CCCCC1 ZINC001144561821 1131659774 /nfs/dbraw/zinc/65/97/74/1131659774.db2.gz NTXZIZJTGYULLS-UHFFFAOYSA-N 1 2 281.346 3.991 20 30 CHEDLO C=CC[N@H+](Cc1c(F)cc(O)cc1F)C1CCCCC1 ZINC001144561821 1131659779 /nfs/dbraw/zinc/65/97/79/1131659779.db2.gz NTXZIZJTGYULLS-UHFFFAOYSA-N 1 2 281.346 3.991 20 30 CHEDLO C=CCCN(Cc1[nH+]cn2ccccc12)Cc1ccccc1 ZINC001144622167 1131669466 /nfs/dbraw/zinc/66/94/66/1131669466.db2.gz DYAJIEISJBDXCX-UHFFFAOYSA-N 1 2 291.398 3.913 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC001140212282 1131677955 /nfs/dbraw/zinc/67/79/55/1131677955.db2.gz BWZZILNDGVEHGL-UHFFFAOYSA-N 1 2 299.187 3.714 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC001140212282 1131677956 /nfs/dbraw/zinc/67/79/56/1131677956.db2.gz BWZZILNDGVEHGL-UHFFFAOYSA-N 1 2 299.187 3.714 20 30 CHEDLO C=CCCCCCCCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001144798035 1131708392 /nfs/dbraw/zinc/70/83/92/1131708392.db2.gz YVKVQEJZIGIJKP-UHFFFAOYSA-N 1 2 292.467 3.623 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cn1 ZINC001140546606 1131788820 /nfs/dbraw/zinc/78/88/20/1131788820.db2.gz NMKRZKFGEYJCBM-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cn1 ZINC001140546606 1131788823 /nfs/dbraw/zinc/78/88/23/1131788823.db2.gz NMKRZKFGEYJCBM-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#CCC1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001140701343 1131882301 /nfs/dbraw/zinc/88/23/01/1131882301.db2.gz JUDUBPKHXUWERJ-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1F ZINC001140755079 1131907213 /nfs/dbraw/zinc/90/72/13/1131907213.db2.gz SINXJVXLSFWBNB-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H]2c2ccccc2)cc1F ZINC001140755079 1131907216 /nfs/dbraw/zinc/90/72/16/1131907216.db2.gz SINXJVXLSFWBNB-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1c(F)cc(C[NH+]2CC3(C2)CCCCC3)cc1F ZINC001140755047 1131908038 /nfs/dbraw/zinc/90/80/38/1131908038.db2.gz RKIRNNMVASZKFH-UHFFFAOYSA-N 1 2 276.330 3.603 20 30 CHEDLO CC[N@H+](Cc1ccccn1)Cc1cccc(C#N)c1Cl ZINC001140809911 1131932750 /nfs/dbraw/zinc/93/27/50/1131932750.db2.gz MUFMYFZKUFWTDL-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccccn1)Cc1cccc(C#N)c1Cl ZINC001140809911 1131932753 /nfs/dbraw/zinc/93/27/53/1131932753.db2.gz MUFMYFZKUFWTDL-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cc(F)cc(OC)c1 ZINC001171411533 1131979605 /nfs/dbraw/zinc/97/96/05/1131979605.db2.gz ZNQMYCIFNAMJGK-UHFFFAOYSA-N 1 2 286.350 3.878 20 30 CHEDLO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001141103877 1132018449 /nfs/dbraw/zinc/01/84/49/1132018449.db2.gz LCGBZDRJRPUUFM-HNNXBMFYSA-N 1 2 256.393 3.720 20 30 CHEDLO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001141103877 1132018456 /nfs/dbraw/zinc/01/84/56/1132018456.db2.gz LCGBZDRJRPUUFM-HNNXBMFYSA-N 1 2 256.393 3.720 20 30 CHEDLO CC1(C)CCc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc2O1 ZINC001141183548 1132035922 /nfs/dbraw/zinc/03/59/22/1132035922.db2.gz LWGRZOQPRMBPRD-OAHLLOKOSA-N 1 2 284.403 3.526 20 30 CHEDLO CC1(C)CCc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc2O1 ZINC001141183548 1132035929 /nfs/dbraw/zinc/03/59/29/1132035929.db2.gz LWGRZOQPRMBPRD-OAHLLOKOSA-N 1 2 284.403 3.526 20 30 CHEDLO C[C@H](CC(C)(C)S)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953582 1132135191 /nfs/dbraw/zinc/13/51/91/1132135191.db2.gz BNLRVRXQKLDXRK-GFCCVEGCSA-N 1 2 276.405 3.738 20 30 CHEDLO C=C[C@H](CCCC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954510 1132137238 /nfs/dbraw/zinc/13/72/38/1132137238.db2.gz PYOYRHZIVHQQPW-OAHLLOKOSA-N 1 2 256.349 3.996 20 30 CHEDLO C=CC[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001229954515 1132137303 /nfs/dbraw/zinc/13/73/03/1132137303.db2.gz PYVJXPGTDJCXLF-INIZCTEOSA-N 1 2 256.349 3.852 20 30 CHEDLO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@@H]([C@H](C)CC)C1 ZINC000839528825 1132221222 /nfs/dbraw/zinc/22/12/22/1132221222.db2.gz RKDRHUNBRDLKBG-BXUZGUMPSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@@H]([C@H](C)CC)C1 ZINC000839528825 1132221229 /nfs/dbraw/zinc/22/12/29/1132221229.db2.gz RKDRHUNBRDLKBG-BXUZGUMPSA-N 1 2 291.266 3.524 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc2cc(F)ccc2n1 ZINC001141646310 1132221935 /nfs/dbraw/zinc/22/19/35/1132221935.db2.gz MKEGECNORICXEC-UHFFFAOYSA-N 1 2 285.366 3.890 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc2cc(F)ccc2n1 ZINC001141646310 1132221942 /nfs/dbraw/zinc/22/19/42/1132221942.db2.gz MKEGECNORICXEC-UHFFFAOYSA-N 1 2 285.366 3.890 20 30 CHEDLO N#Cc1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c(F)c1 ZINC000840233985 1132251550 /nfs/dbraw/zinc/25/15/50/1132251550.db2.gz LUTUQUKOJQDEIC-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CCCCCCC[C@H](CCC)[NH2+]C1(C(=O)OC)CC1 ZINC001172503089 1132251563 /nfs/dbraw/zinc/25/15/63/1132251563.db2.gz VXQIUYGYEVDXHS-AWEZNQCLSA-N 1 2 269.429 3.811 20 30 CHEDLO CC#CC[C@@H](CC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082788 1132252851 /nfs/dbraw/zinc/25/28/51/1132252851.db2.gz ZIBDAWIAAVZZDO-CQSZACIVSA-N 1 2 254.333 3.648 20 30 CHEDLO C[C@H](CC(C)(C)S)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083378 1132253095 /nfs/dbraw/zinc/25/30/95/1132253095.db2.gz JYGOLIGZTGKPSR-GFCCVEGCSA-N 1 2 290.432 3.953 20 30 CHEDLO C#C[C@H](CC(C)C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083361 1132253209 /nfs/dbraw/zinc/25/32/09/1132253209.db2.gz JNGVUYKGPAIKSX-OAHLLOKOSA-N 1 2 268.360 3.514 20 30 CHEDLO O=C1C=C2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@H]2S1 ZINC001172555573 1132267213 /nfs/dbraw/zinc/26/72/13/1132267213.db2.gz ARTOOBHRKZFITQ-DJIMGWMZSA-N 1 2 299.439 3.597 20 30 CHEDLO O=C1C=C2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@H]2S1 ZINC001172555573 1132267218 /nfs/dbraw/zinc/26/72/18/1132267218.db2.gz ARTOOBHRKZFITQ-DJIMGWMZSA-N 1 2 299.439 3.597 20 30 CHEDLO CC1(C#N)C[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172546456 1132278345 /nfs/dbraw/zinc/27/83/45/1132278345.db2.gz QEKUHUGHRXUJGS-CVEARBPZSA-N 1 2 254.377 3.558 20 30 CHEDLO C=CCOc1cccc(C[NH+]2CC(Oc3ccccc3)C2)c1 ZINC001231623705 1132328775 /nfs/dbraw/zinc/32/87/75/1132328775.db2.gz QSVHTLHJUVLWJE-UHFFFAOYSA-N 1 2 295.382 3.515 20 30 CHEDLO C=CCOc1cccc(C[N@H+]2Cc3ccc(OC)cc3C2)c1 ZINC001231625553 1132329841 /nfs/dbraw/zinc/32/98/41/1132329841.db2.gz UAZOAXPJEFFEMI-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C=CCOc1cccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c1 ZINC001231625553 1132329845 /nfs/dbraw/zinc/32/98/45/1132329845.db2.gz UAZOAXPJEFFEMI-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172872566 1132352703 /nfs/dbraw/zinc/35/27/03/1132352703.db2.gz NJMUNSJTDQMUSJ-ABAIWWIYSA-N 1 2 280.774 3.646 20 30 CHEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001172872566 1132352707 /nfs/dbraw/zinc/35/27/07/1132352707.db2.gz NJMUNSJTDQMUSJ-ABAIWWIYSA-N 1 2 280.774 3.646 20 30 CHEDLO C=CC[N@@H+](C)Cc1c(SC(C)C)nc2sccn21 ZINC001231780577 1132357385 /nfs/dbraw/zinc/35/73/85/1132357385.db2.gz SVNUIOOFJSCFJJ-UHFFFAOYSA-N 1 2 281.450 3.514 20 30 CHEDLO C=CC[N@H+](C)Cc1c(SC(C)C)nc2sccn21 ZINC001231780577 1132357393 /nfs/dbraw/zinc/35/73/93/1132357393.db2.gz SVNUIOOFJSCFJJ-UHFFFAOYSA-N 1 2 281.450 3.514 20 30 CHEDLO N#CCC[N@H+](Cc1ccns1)C1CCCCCCC1 ZINC001232192763 1132434205 /nfs/dbraw/zinc/43/42/05/1132434205.db2.gz AJIKNQDPFJPWTK-UHFFFAOYSA-N 1 2 277.437 3.972 20 30 CHEDLO N#CCC[N@@H+](Cc1ccns1)C1CCCCCCC1 ZINC001232192763 1132434207 /nfs/dbraw/zinc/43/42/07/1132434207.db2.gz AJIKNQDPFJPWTK-UHFFFAOYSA-N 1 2 277.437 3.972 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001232609352 1132491718 /nfs/dbraw/zinc/49/17/18/1132491718.db2.gz YQYMAAWLSJDEQI-UHFFFAOYSA-N 1 2 282.774 3.811 20 30 CHEDLO CCCCCCC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232676567 1132504787 /nfs/dbraw/zinc/50/47/87/1132504787.db2.gz MEFPKTQXVSIEQN-UHFFFAOYSA-N 1 2 260.381 3.666 20 30 CHEDLO CCCCCCC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232676567 1132504794 /nfs/dbraw/zinc/50/47/94/1132504794.db2.gz MEFPKTQXVSIEQN-UHFFFAOYSA-N 1 2 260.381 3.666 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001232673269 1132506068 /nfs/dbraw/zinc/50/60/68/1132506068.db2.gz DCFIDEDEQBRBPF-KRWDZBQOSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001232673269 1132506074 /nfs/dbraw/zinc/50/60/74/1132506074.db2.gz DCFIDEDEQBRBPF-KRWDZBQOSA-N 1 2 296.345 3.740 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(F)cc1F ZINC001232785241 1132522495 /nfs/dbraw/zinc/52/24/95/1132522495.db2.gz PHZSILRWGGNGMQ-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(F)cc1F ZINC001232785241 1132522497 /nfs/dbraw/zinc/52/24/97/1132522497.db2.gz PHZSILRWGGNGMQ-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001143370992 1132538374 /nfs/dbraw/zinc/53/83/74/1132538374.db2.gz AJHSCJIRUDJXER-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001143370992 1132538380 /nfs/dbraw/zinc/53/83/80/1132538380.db2.gz AJHSCJIRUDJXER-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccccc1C[N@H+](C)Cc1ccc(C)cc1C#N ZINC001232966355 1132552856 /nfs/dbraw/zinc/55/28/56/1132552856.db2.gz ONQDVZILTSQFJH-UHFFFAOYSA-N 1 2 280.371 3.507 20 30 CHEDLO COc1ccccc1C[N@@H+](C)Cc1ccc(C)cc1C#N ZINC001232966355 1132552860 /nfs/dbraw/zinc/55/28/60/1132552860.db2.gz ONQDVZILTSQFJH-UHFFFAOYSA-N 1 2 280.371 3.507 20 30 CHEDLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(C#N)c1 ZINC001232969556 1132553254 /nfs/dbraw/zinc/55/32/54/1132553254.db2.gz SVPYDAKNLQZMFC-OAHLLOKOSA-N 1 2 296.414 3.590 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(C#N)c1 ZINC001232969556 1132553259 /nfs/dbraw/zinc/55/32/59/1132553259.db2.gz SVPYDAKNLQZMFC-OAHLLOKOSA-N 1 2 296.414 3.590 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001233414603 1132618151 /nfs/dbraw/zinc/61/81/51/1132618151.db2.gz WCOGAQGBTQJMBN-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2csc(Br)c2)CC1 ZINC001233414603 1132618157 /nfs/dbraw/zinc/61/81/57/1132618157.db2.gz WCOGAQGBTQJMBN-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#Cc1ccc(CNc2cc3ccccc3c[nH+]2)s1 ZINC001159174520 1132813601 /nfs/dbraw/zinc/81/36/01/1132813601.db2.gz YYHKHEIBCZMPQM-UHFFFAOYSA-N 1 2 265.341 3.780 20 30 CHEDLO CCc1cccc(Nc2ccc(Cl)c(C#N)c2)[nH+]1 ZINC001174402401 1132815289 /nfs/dbraw/zinc/81/52/89/1132815289.db2.gz GPTGIQQDSOBGQD-UHFFFAOYSA-N 1 2 257.724 3.913 20 30 CHEDLO Cc1cnc(C#N)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001174381987 1132828337 /nfs/dbraw/zinc/82/83/37/1132828337.db2.gz UJBAFOPMLUZDRL-UHFFFAOYSA-N 1 2 291.358 3.936 20 30 CHEDLO N#Cc1cc(Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC001174403892 1132843725 /nfs/dbraw/zinc/84/37/25/1132843725.db2.gz YRYCJMNIWLYJIV-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO N#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1Cl ZINC001174412701 1132850701 /nfs/dbraw/zinc/85/07/01/1132850701.db2.gz XTBKTACKJLBRFV-UHFFFAOYSA-N 1 2 268.707 3.783 20 30 CHEDLO CC1(C)C[C@@H](CNc2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001161424926 1133000697 /nfs/dbraw/zinc/00/06/97/1133000697.db2.gz LNYKQCDETDELSQ-AWEZNQCLSA-N 1 2 295.386 3.724 20 30 CHEDLO Cc1cc(C#N)c(Nc2cccc3[nH+]c[nH]c32)cc1F ZINC001213034425 1133014146 /nfs/dbraw/zinc/01/41/46/1133014146.db2.gz JFFBJIFTYHPXME-UHFFFAOYSA-N 1 2 266.279 3.626 20 30 CHEDLO Cc1ccc2c(NCC3(C#N)CCC3)cc[nH+]c2c1 ZINC001162416723 1133077228 /nfs/dbraw/zinc/07/72/28/1133077228.db2.gz GQIMQJJVAZEAHT-UHFFFAOYSA-N 1 2 251.333 3.649 20 30 CHEDLO C=CCC[C@H]1CCCN1c1cc(CC)[nH+]c(CC)n1 ZINC001164287399 1133211545 /nfs/dbraw/zinc/21/15/45/1133211545.db2.gz AISFCYMXXOZBFE-AWEZNQCLSA-N 1 2 259.397 3.536 20 30 CHEDLO C#C[C@@H]1CCCN(c2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001167005864 1133298830 /nfs/dbraw/zinc/29/88/30/1133298830.db2.gz GXELNGAZXCNGEI-GFCCVEGCSA-N 1 2 270.763 3.738 20 30 CHEDLO N#Cc1ccc(C=CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001203302187 1133312680 /nfs/dbraw/zinc/31/26/80/1133312680.db2.gz OECOCCJPGLGDLW-CMDGGOBGSA-N 1 2 286.338 3.827 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cnc(C#N)c(C(F)(F)F)c2)c1 ZINC001203657034 1133349668 /nfs/dbraw/zinc/34/96/68/1133349668.db2.gz HAALCNZXNQZOGA-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO N#Cc1cc(O)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203723937 1133358313 /nfs/dbraw/zinc/35/83/13/1133358313.db2.gz DMEWOYQMVYVGEH-UHFFFAOYSA-N 1 2 293.370 3.998 20 30 CHEDLO N#Cc1ncc(F)cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718698 1133358574 /nfs/dbraw/zinc/35/85/74/1133358574.db2.gz LDCHBCZOYPFKMF-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1cccc(N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203724683 1133360670 /nfs/dbraw/zinc/36/06/70/1133360670.db2.gz WDZOXRNAUYYCAL-UHFFFAOYSA-N 1 2 292.386 3.874 20 30 CHEDLO N#Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1F ZINC001204054483 1133405103 /nfs/dbraw/zinc/40/51/03/1133405103.db2.gz UHLPRMPBDMTKQB-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO Cc1csc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001204374650 1133441478 /nfs/dbraw/zinc/44/14/78/1133441478.db2.gz CWFLPPUCOFURBO-UHFFFAOYSA-N 1 2 297.427 3.509 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cn(C(C)=O)c2ccccc12 ZINC001204409134 1133444478 /nfs/dbraw/zinc/44/44/78/1133444478.db2.gz SQVSKSDVJWJZJP-UHFFFAOYSA-N 1 2 297.402 3.817 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cn(C(C)=O)c2ccccc12 ZINC001204409134 1133444482 /nfs/dbraw/zinc/44/44/82/1133444482.db2.gz SQVSKSDVJWJZJP-UHFFFAOYSA-N 1 2 297.402 3.817 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1)C1CCCC1 ZINC001205430415 1133576366 /nfs/dbraw/zinc/57/63/66/1133576366.db2.gz PBJBBDKMCKNPPE-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(C(F)(F)F)nc1)C1CCCC1 ZINC001205430415 1133576369 /nfs/dbraw/zinc/57/63/69/1133576369.db2.gz PBJBBDKMCKNPPE-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO C=CCC[C@H]([NH2+][C@@H](C)CCc1ccsc1)C(=O)OCC ZINC001205842371 1133621114 /nfs/dbraw/zinc/62/11/14/1133621114.db2.gz YQOSAXCLZQHEJG-ZFWWWQNUSA-N 1 2 295.448 3.557 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)C2CCCCCCC2)n(C)n1 ZINC001205904539 1133628690 /nfs/dbraw/zinc/62/86/90/1133628690.db2.gz IIHGVZXWHKVCOT-UHFFFAOYSA-N 1 2 288.439 3.557 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)C2CCCCCCC2)n(C)n1 ZINC001205904539 1133628691 /nfs/dbraw/zinc/62/86/91/1133628691.db2.gz IIHGVZXWHKVCOT-UHFFFAOYSA-N 1 2 288.439 3.557 20 30 CHEDLO CC(C)=CCCC1=CC[C@@H](C[NH+]2CC(C#N)C2)CC1 ZINC001207941510 1133868496 /nfs/dbraw/zinc/86/84/96/1133868496.db2.gz RTRROTUCGWVXRV-MRXNPFEDSA-N 1 2 258.409 3.915 20 30 CHEDLO CCCCCCC/C=C/C[NH+]1CC2(C1)CCCO2 ZINC001208120541 1133880892 /nfs/dbraw/zinc/88/08/92/1133880892.db2.gz RUZCXQFALMAQAK-CMDGGOBGSA-N 1 2 251.414 3.768 20 30 CHEDLO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCCC[C@@H]1C#N ZINC001208217787 1133908895 /nfs/dbraw/zinc/90/88/95/1133908895.db2.gz LBXCUOQDCRXWSJ-HZPDHXFCSA-N 1 2 280.456 3.986 20 30 CHEDLO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC[C@@H]1C#N ZINC001208217787 1133908899 /nfs/dbraw/zinc/90/88/99/1133908899.db2.gz LBXCUOQDCRXWSJ-HZPDHXFCSA-N 1 2 280.456 3.986 20 30 CHEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccc(C#N)nc1 ZINC001209559450 1134037340 /nfs/dbraw/zinc/03/73/40/1134037340.db2.gz KKYMVUNRSHXNNT-UHFFFAOYSA-N 1 2 266.348 3.599 20 30 CHEDLO COc1c(Cl)ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001209700432 1134052086 /nfs/dbraw/zinc/05/20/86/1134052086.db2.gz HBAUZUYLGGHHGX-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(Cl)ccc(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001209700432 1134052096 /nfs/dbraw/zinc/05/20/96/1134052096.db2.gz HBAUZUYLGGHHGX-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1cc(Nc2ccc(C#N)c(F)c2)ccc1[NH+](C)C ZINC001210042708 1134132298 /nfs/dbraw/zinc/13/22/98/1134132298.db2.gz AWUNJWCWPVDQFV-UHFFFAOYSA-N 1 2 269.323 3.815 20 30 CHEDLO N#Cc1cc2cccnc2nc1Nc1cccc2cc[nH+]cc21 ZINC001210224392 1134171044 /nfs/dbraw/zinc/17/10/44/1134171044.db2.gz ZCZTUUMTVCHSTB-UHFFFAOYSA-N 1 2 297.321 3.793 20 30 CHEDLO N#Cc1sccc1Nc1cccc2cc[nH+]cc21 ZINC001210224024 1134171681 /nfs/dbraw/zinc/17/16/81/1134171681.db2.gz AXVNFDDEDCLLOK-UHFFFAOYSA-N 1 2 251.314 3.912 20 30 CHEDLO Cc1cn2cccc(Nc3ccc(C#N)cc3C)c2[nH+]1 ZINC001210374090 1134201443 /nfs/dbraw/zinc/20/14/43/1134201443.db2.gz GVPDXKLEHXKIMY-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO CSc1cc(Nc2cc(C#N)ccc2C)cc[nH+]1 ZINC001210501052 1134231194 /nfs/dbraw/zinc/23/11/94/1134231194.db2.gz LXCTYZDIPRGVKQ-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO CC#Cc1cncc(Nc2cccc3cc[nH+]cc32)c1 ZINC001211058782 1134359826 /nfs/dbraw/zinc/35/98/26/1134359826.db2.gz IRZJNNOZAXGFBW-UHFFFAOYSA-N 1 2 259.312 3.745 20 30 CHEDLO N#Cc1ncc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Cl ZINC001213087759 1134424605 /nfs/dbraw/zinc/42/46/05/1134424605.db2.gz ZAKRUFWXKDXLPI-UHFFFAOYSA-N 1 2 295.733 3.740 20 30 CHEDLO N#Cc1cc(F)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC001213089040 1134425862 /nfs/dbraw/zinc/42/58/62/1134425862.db2.gz QJMLVENMHMSHDE-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3ccc(C#N)cc3N)ccc12 ZINC001213363422 1134443482 /nfs/dbraw/zinc/44/34/82/1134443482.db2.gz APGIJFKLMAEQDN-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ncc(C#N)cc1Cl ZINC001213491507 1134453603 /nfs/dbraw/zinc/45/36/03/1134453603.db2.gz LXWMVJNUBHVJIT-UHFFFAOYSA-N 1 2 284.750 3.931 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(Cl)nc1C#N ZINC001213489354 1134454107 /nfs/dbraw/zinc/45/41/07/1134454107.db2.gz PTXMJKSKXOJKGS-UHFFFAOYSA-N 1 2 284.750 3.931 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C#N)cc1O ZINC001213501185 1134455946 /nfs/dbraw/zinc/45/59/46/1134455946.db2.gz LKVRHTNSBBEHOQ-UHFFFAOYSA-N 1 2 265.316 3.588 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1c[nH+]c(C)cc1C ZINC001213513312 1134458067 /nfs/dbraw/zinc/45/80/67/1134458067.db2.gz BHLLSRNJSPHWKL-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(C#N)c3ncccc23)c1C ZINC001213536207 1134463298 /nfs/dbraw/zinc/46/32/98/1134463298.db2.gz BIZWLBJXEPQGMV-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO CCc1cc(Nc2ccc(C)[nH+]c2C)ccc1C#N ZINC001216313606 1134847671 /nfs/dbraw/zinc/84/76/71/1134847671.db2.gz NZHFYQCMIYWFIJ-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO CCc1cc(Nc2cccn3cc[nH+]c23)ccc1C#N ZINC001216315376 1134849059 /nfs/dbraw/zinc/84/90/59/1134849059.db2.gz FFLBUJNPXWLSSQ-UHFFFAOYSA-N 1 2 262.316 3.512 20 30 CHEDLO CCOc1cc(Nc2cccc(C#N)c2F)cc(C)[nH+]1 ZINC001216414122 1134888719 /nfs/dbraw/zinc/88/87/19/1134888719.db2.gz HSKWFGJACYTELL-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO CC[C@H](C#Cc1ccccc1)Oc1c(C)cc[nH+]c1C ZINC001227262477 1135812421 /nfs/dbraw/zinc/81/24/21/1135812421.db2.gz PNHNYVRYQNSCGR-QGZVFWFLSA-N 1 2 265.356 3.908 20 30 CHEDLO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(C)cs1 ZINC000347637317 529630213 /nfs/dbraw/zinc/63/02/13/529630213.db2.gz NTDSRFAQFVPIAC-ZDUSSCGKSA-N 1 2 289.379 3.703 20 30 CHEDLO C[N@@H+](Cc1csc2ccccc12)Cc1nc(C#N)cs1 ZINC000356054935 530019870 /nfs/dbraw/zinc/01/98/70/530019870.db2.gz KLSHDDTVLLHBLN-UHFFFAOYSA-N 1 2 299.424 3.861 20 30 CHEDLO C[N@H+](Cc1csc2ccccc12)Cc1nc(C#N)cs1 ZINC000356054935 530019872 /nfs/dbraw/zinc/01/98/72/530019872.db2.gz KLSHDDTVLLHBLN-UHFFFAOYSA-N 1 2 299.424 3.861 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000194969583 533394563 /nfs/dbraw/zinc/39/45/63/533394563.db2.gz DXQBQSZJNDKPET-INIZCTEOSA-N 1 2 294.398 4.000 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000194969583 533394569 /nfs/dbraw/zinc/39/45/69/533394569.db2.gz DXQBQSZJNDKPET-INIZCTEOSA-N 1 2 294.398 4.000 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(NC2CCC(C)(C#N)CC2)c1 ZINC000334656529 225259643 /nfs/dbraw/zinc/25/96/43/225259643.db2.gz MOTDRUTZMSAPPC-UHFFFAOYSA-N 1 2 294.402 3.971 20 30 CHEDLO N#CCCCCNc1[nH+]cccc1OCc1ccccc1 ZINC000354610000 227049082 /nfs/dbraw/zinc/04/90/82/227049082.db2.gz VHAAYZWWMAPCJF-UHFFFAOYSA-N 1 2 281.359 3.766 20 30 CHEDLO CCn1nc(C[N@H+](CCC#N)CCC(C)C)c2ccccc21 ZINC000352011030 228174259 /nfs/dbraw/zinc/17/42/59/228174259.db2.gz NKZLWWAZIOTOAZ-UHFFFAOYSA-N 1 2 298.434 3.818 20 30 CHEDLO CCn1nc(C[N@@H+](CCC#N)CCC(C)C)c2ccccc21 ZINC000352011030 228174260 /nfs/dbraw/zinc/17/42/60/228174260.db2.gz NKZLWWAZIOTOAZ-UHFFFAOYSA-N 1 2 298.434 3.818 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000187771115 260056518 /nfs/dbraw/zinc/05/65/18/260056518.db2.gz KXNNZYDHTBRBIW-INIZCTEOSA-N 1 2 269.348 3.618 20 30 CHEDLO C[C@H]1CCC[C@@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356987371 260121830 /nfs/dbraw/zinc/12/18/30/260121830.db2.gz PYQIOISVSGBWEU-LSDHHAIUSA-N 1 2 260.381 3.822 20 30 CHEDLO C[C@H]1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356987371 260121832 /nfs/dbraw/zinc/12/18/32/260121832.db2.gz PYQIOISVSGBWEU-LSDHHAIUSA-N 1 2 260.381 3.822 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnc(C)s1 ZINC000298148928 260145227 /nfs/dbraw/zinc/14/52/27/260145227.db2.gz OVHRDLXKMMLCRO-ZDUSSCGKSA-N 1 2 287.432 3.638 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnc(C)s1 ZINC000298148928 260145228 /nfs/dbraw/zinc/14/52/28/260145228.db2.gz OVHRDLXKMMLCRO-ZDUSSCGKSA-N 1 2 287.432 3.638 20 30 CHEDLO CCSCc1cc[nH+]c(NCc2ccc(C#N)cc2)c1 ZINC000090228777 260457545 /nfs/dbraw/zinc/45/75/45/260457545.db2.gz YVUZULANDVVJSN-UHFFFAOYSA-N 1 2 283.400 3.818 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cnc(-c2ccccc2F)s1 ZINC000449011678 261086151 /nfs/dbraw/zinc/08/61/51/261086151.db2.gz SOQOHNIJVXOXMR-UHFFFAOYSA-N 1 2 289.379 3.685 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cnc(-c2ccccc2F)s1 ZINC000449011678 261086153 /nfs/dbraw/zinc/08/61/53/261086153.db2.gz SOQOHNIJVXOXMR-UHFFFAOYSA-N 1 2 289.379 3.685 20 30 CHEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000154234164 261089076 /nfs/dbraw/zinc/08/90/76/261089076.db2.gz VQHJXYNTPSJJGW-JFLZBYRCSA-N 1 2 281.355 3.731 20 30 CHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccccc1F ZINC000162262930 261274675 /nfs/dbraw/zinc/27/46/75/261274675.db2.gz JHNGZWUKBQMDGT-UHFFFAOYSA-N 1 2 285.322 3.515 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(C)cs1 ZINC000162537854 261284869 /nfs/dbraw/zinc/28/48/69/261284869.db2.gz YEXVFUPBLFXPFH-AWEZNQCLSA-N 1 2 289.379 3.703 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ncc(CC)s1)c1ccc(Cl)cc1 ZINC000491628457 261697809 /nfs/dbraw/zinc/69/78/09/261697809.db2.gz KRKGWXLBZGZYMC-CQSZACIVSA-N 1 2 290.819 3.823 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187036151 262121565 /nfs/dbraw/zinc/12/15/65/262121565.db2.gz PVYBAZRCXHYZPM-GFCCVEGCSA-N 1 2 295.477 3.563 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187036151 262121568 /nfs/dbraw/zinc/12/15/68/262121568.db2.gz PVYBAZRCXHYZPM-GFCCVEGCSA-N 1 2 295.477 3.563 20 30 CHEDLO C=C(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000187769438 262143458 /nfs/dbraw/zinc/14/34/58/262143458.db2.gz ZUOUTHKKPHWCQN-WBMJQRKESA-N 1 2 289.329 3.615 20 30 CHEDLO COc1cc(OC)c([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000193072511 262215344 /nfs/dbraw/zinc/21/53/44/262215344.db2.gz PRPVCEGGSXQBRA-GHMZBOCLSA-N 1 2 294.782 3.851 20 30 CHEDLO CC(C)CCc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000272530778 263006065 /nfs/dbraw/zinc/00/60/65/263006065.db2.gz IIRSLCBXLHFGIR-UHFFFAOYSA-N 1 2 291.464 3.857 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000273823646 263019540 /nfs/dbraw/zinc/01/95/40/263019540.db2.gz DHUSRQJRAVFREK-LLVKDONJSA-N 1 2 274.261 3.626 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000274213899 263022129 /nfs/dbraw/zinc/02/21/29/263022129.db2.gz OGEJSRAOABCDNJ-UONOGXRCSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000274213899 263022130 /nfs/dbraw/zinc/02/21/30/263022130.db2.gz OGEJSRAOABCDNJ-UONOGXRCSA-N 1 2 257.381 3.555 20 30 CHEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000340285374 263104484 /nfs/dbraw/zinc/10/44/84/263104484.db2.gz XZBBMRKQWRQJTM-CYBMUJFWSA-N 1 2 281.197 3.557 20 30 CHEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000340285374 263104485 /nfs/dbraw/zinc/10/44/85/263104485.db2.gz XZBBMRKQWRQJTM-CYBMUJFWSA-N 1 2 281.197 3.557 20 30 CHEDLO Cc1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)no1 ZINC000290766260 263118639 /nfs/dbraw/zinc/11/86/39/263118639.db2.gz RXJIDJKLGFINQJ-UKRRQHHQSA-N 1 2 269.348 3.679 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000292679888 263133551 /nfs/dbraw/zinc/13/35/51/263133551.db2.gz AOEPCSFBDVTPJO-UHFFFAOYSA-N 1 2 283.419 3.579 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000292679888 263133552 /nfs/dbraw/zinc/13/35/52/263133552.db2.gz AOEPCSFBDVTPJO-UHFFFAOYSA-N 1 2 283.419 3.579 20 30 CHEDLO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000294929404 263169282 /nfs/dbraw/zinc/16/92/82/263169282.db2.gz BLWNYVZLRNVYII-CABZTGNLSA-N 1 2 299.201 3.871 20 30 CHEDLO CC[N@H+](Cc1nccn1C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000299572218 263248241 /nfs/dbraw/zinc/24/82/41/263248241.db2.gz HGRCZJYYGHZWBF-OAHLLOKOSA-N 1 2 296.418 3.919 20 30 CHEDLO CC[N@@H+](Cc1nccn1C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000299572218 263248245 /nfs/dbraw/zinc/24/82/45/263248245.db2.gz HGRCZJYYGHZWBF-OAHLLOKOSA-N 1 2 296.418 3.919 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1cc(Cl)ccc1Cl ZINC000187526738 263260146 /nfs/dbraw/zinc/26/01/46/263260146.db2.gz UOISECMVZGPXIU-DTWKUNHWSA-N 1 2 257.164 3.946 20 30 CHEDLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425363095 264135990 /nfs/dbraw/zinc/13/59/90/264135990.db2.gz AOIDRCWKMLGHQW-LBPRGKRZSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425363095 264135991 /nfs/dbraw/zinc/13/59/91/264135991.db2.gz AOIDRCWKMLGHQW-LBPRGKRZSA-N 1 2 271.389 3.516 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000360131870 266686423 /nfs/dbraw/zinc/68/64/23/266686423.db2.gz NRNRXYNNFNMTRZ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCc2ccsc2C1 ZINC000360131870 266686424 /nfs/dbraw/zinc/68/64/24/266686424.db2.gz NRNRXYNNFNMTRZ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc2ccccc2[nH]1 ZINC000119178930 267305194 /nfs/dbraw/zinc/30/51/94/267305194.db2.gz WKNSQOOBVURUEK-UHFFFAOYSA-N 1 2 284.407 3.715 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc2ccccc2[nH]1 ZINC000119178930 267305197 /nfs/dbraw/zinc/30/51/97/267305197.db2.gz WKNSQOOBVURUEK-UHFFFAOYSA-N 1 2 284.407 3.715 20 30 CHEDLO CCOc1c(Cl)cccc1C[NH2+]CC1(C#N)CCC1 ZINC000418140780 267362508 /nfs/dbraw/zinc/36/25/08/267362508.db2.gz KEOPUWNFKLOTOZ-UHFFFAOYSA-N 1 2 278.783 3.522 20 30 CHEDLO C=CCCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371247978 267377294 /nfs/dbraw/zinc/37/72/94/267377294.db2.gz SIKGZWOMDUZRHE-UHFFFAOYSA-N 1 2 269.348 3.680 20 30 CHEDLO N#CC1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000121081700 267553262 /nfs/dbraw/zinc/55/32/62/267553262.db2.gz XBPJSMOQKFEPHS-UHFFFAOYSA-N 1 2 293.326 3.506 20 30 CHEDLO CCCCCCCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374644324 267805473 /nfs/dbraw/zinc/80/54/73/267805473.db2.gz HFAFFGZEMUNIDL-UHFFFAOYSA-N 1 2 291.439 3.674 20 30 CHEDLO C=C[C@H](CC(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000534000247 328031081 /nfs/dbraw/zinc/03/10/81/328031081.db2.gz MZVBPQZYRPJBLV-CQSZACIVSA-N 1 2 291.354 3.633 20 30 CHEDLO C=CCCOCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287271916 328250586 /nfs/dbraw/zinc/25/05/86/328250586.db2.gz AZWNJNSYQKSCRQ-AWEZNQCLSA-N 1 2 283.799 3.679 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000227352084 329272202 /nfs/dbraw/zinc/27/22/02/329272202.db2.gz UIIYMQCLFYUPQV-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(F)cc1C(F)(F)F ZINC000535077273 328384561 /nfs/dbraw/zinc/38/45/61/328384561.db2.gz KYZSPYNIDRASOJ-UHFFFAOYSA-N 1 2 288.288 3.969 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(F)cc1C(F)(F)F ZINC000535077273 328384563 /nfs/dbraw/zinc/38/45/63/328384563.db2.gz KYZSPYNIDRASOJ-UHFFFAOYSA-N 1 2 288.288 3.969 20 30 CHEDLO C=CCCC[C@H](C)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000398174385 326872928 /nfs/dbraw/zinc/87/29/28/326872928.db2.gz MGDRBEJGRSLZLU-HOCLYGCPSA-N 1 2 275.392 3.625 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(Br)cc2OC)CC1 ZINC000557479747 327007798 /nfs/dbraw/zinc/00/77/98/327007798.db2.gz BLMGPZUTFBZNTN-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3ccccc3C)o2)CC1 ZINC000533815789 327104754 /nfs/dbraw/zinc/10/47/54/327104754.db2.gz MXISBRYUOULKFA-UHFFFAOYSA-N 1 2 268.360 3.802 20 30 CHEDLO COc1c(C)cc(C[N@H+](CC#N)C2CCCC2)cc1C ZINC000093563209 327198540 /nfs/dbraw/zinc/19/85/40/327198540.db2.gz OFIXIJLJZQTJAV-UHFFFAOYSA-N 1 2 272.392 3.580 20 30 CHEDLO COc1c(C)cc(C[N@@H+](CC#N)C2CCCC2)cc1C ZINC000093563209 327198542 /nfs/dbraw/zinc/19/85/42/327198542.db2.gz OFIXIJLJZQTJAV-UHFFFAOYSA-N 1 2 272.392 3.580 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)c1C ZINC000564662009 327248525 /nfs/dbraw/zinc/24/85/25/327248525.db2.gz UYAVNZLNGDNLJD-GOEBONIOSA-N 1 2 280.375 3.593 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000566429504 327361345 /nfs/dbraw/zinc/36/13/45/327361345.db2.gz UHYGYOAANDQIBE-AWEZNQCLSA-N 1 2 285.416 3.516 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000561487450 327399221 /nfs/dbraw/zinc/39/92/21/327399221.db2.gz RSTNRMZAZXSQDG-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000561487450 327399222 /nfs/dbraw/zinc/39/92/22/327399222.db2.gz RSTNRMZAZXSQDG-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000562391606 327478123 /nfs/dbraw/zinc/47/81/23/327478123.db2.gz LHHQWJPEDGPJDB-UHFFFAOYSA-N 1 2 286.762 3.993 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC000582189236 328621923 /nfs/dbraw/zinc/62/19/23/328621923.db2.gz JXLFUEPEJXUPFX-VHSXEESVSA-N 1 2 254.736 3.822 20 30 CHEDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1ccc(C#N)cc1 ZINC000185853923 329333688 /nfs/dbraw/zinc/33/36/88/329333688.db2.gz AJGMCVFZBWDCNP-UHFFFAOYSA-N 1 2 296.761 3.710 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(F)c(F)c1 ZINC000186447114 329342611 /nfs/dbraw/zinc/34/26/11/329342611.db2.gz NIAPRRZRWCPSLZ-IAQYHMDHSA-N 1 2 291.345 3.666 20 30 CHEDLO Cc1cc(N2CC[C@@H](c3c(F)cccc3F)C2)c(C#N)c[nH+]1 ZINC000425245096 329649721 /nfs/dbraw/zinc/64/97/21/329649721.db2.gz TXLWBDOBXBJZOC-GFCCVEGCSA-N 1 2 299.324 3.534 20 30 CHEDLO Cc1cc(N2CC[C@@H](c3cccc(Cl)c3)C2)c(C#N)c[nH+]1 ZINC000425274267 329654480 /nfs/dbraw/zinc/65/44/80/329654480.db2.gz ZHPTXDIHVSCOLI-CQSZACIVSA-N 1 2 297.789 3.909 20 30 CHEDLO Cc1cccn2cc(CSCC3(C#N)CCC3)[nH+]c12 ZINC000419432735 329728640 /nfs/dbraw/zinc/72/86/40/329728640.db2.gz YHCVWCWEWYGGMI-UHFFFAOYSA-N 1 2 271.389 3.570 20 30 CHEDLO C=CCCCCCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420852814 329784751 /nfs/dbraw/zinc/78/47/51/329784751.db2.gz SPKYTNHLRUGLJJ-UHFFFAOYSA-N 1 2 289.423 3.586 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000572426216 330069898 /nfs/dbraw/zinc/06/98/98/330069898.db2.gz YGINNTDRSJMBQT-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000572426216 330069900 /nfs/dbraw/zinc/06/99/00/330069900.db2.gz YGINNTDRSJMBQT-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000276576132 330114046 /nfs/dbraw/zinc/11/40/46/330114046.db2.gz NYDIULBBABGFAM-CYBMUJFWSA-N 1 2 271.364 3.696 20 30 CHEDLO C=C(C)C[N@H+](CC)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000276576132 330114047 /nfs/dbraw/zinc/11/40/47/330114047.db2.gz NYDIULBBABGFAM-CYBMUJFWSA-N 1 2 271.364 3.696 20 30 CHEDLO C=CC[C@H]1N(C(=O)Nc2cc[nH+]cc2C)CCCC1(C)C ZINC000278027277 330118927 /nfs/dbraw/zinc/11/89/27/330118927.db2.gz BANRJZJHFVPQAR-OAHLLOKOSA-N 1 2 287.407 3.989 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000527485914 330249432 /nfs/dbraw/zinc/24/94/32/330249432.db2.gz WYTIXBCGYITYCU-MRXNPFEDSA-N 1 2 269.348 3.618 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ncccc2Cl)C2CC2)cc1 ZINC000528359825 330322180 /nfs/dbraw/zinc/32/21/80/330322180.db2.gz LOJJCLRZJIZLMU-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ncccc2Cl)C2CC2)cc1 ZINC000528359825 330322181 /nfs/dbraw/zinc/32/21/81/330322181.db2.gz LOJJCLRZJIZLMU-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)c1ccc(C#N)cc1F ZINC000424325035 330341136 /nfs/dbraw/zinc/34/11/36/330341136.db2.gz NFSOJHGUKTVGOD-UYHISHBKSA-N 1 2 298.336 3.985 20 30 CHEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428397361 330522280 /nfs/dbraw/zinc/52/22/80/330522280.db2.gz BVIYMUMHFUJRKD-GHJWDPDVSA-N 1 2 293.382 3.539 20 30 CHEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccccc1F ZINC000429250658 330541138 /nfs/dbraw/zinc/54/11/38/330541138.db2.gz AYRWQLUIQXAKTK-UHFFFAOYSA-N 1 2 286.325 3.861 20 30 CHEDLO CCCc1ccc2[nH+]ccc(N(C)CCC#N)c2c1 ZINC000450209878 330965962 /nfs/dbraw/zinc/96/59/62/330965962.db2.gz YRFMZSKXRFZHNR-UHFFFAOYSA-N 1 2 253.349 3.537 20 30 CHEDLO C=CCC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccco1 ZINC000453332548 331117823 /nfs/dbraw/zinc/11/78/23/331117823.db2.gz AXQHVAUELXKXHI-RDBSUJKOSA-N 1 2 271.364 3.779 20 30 CHEDLO C=CCC[C@H](CCC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000463290852 331345446 /nfs/dbraw/zinc/34/54/46/331345446.db2.gz LLGYRVLIQDXRSZ-HOTGVXAUSA-N 1 2 275.392 3.625 20 30 CHEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1c(F)cccc1F ZINC000484098170 331892663 /nfs/dbraw/zinc/89/26/63/331892663.db2.gz MENUQZQHOAIBEY-CYBMUJFWSA-N 1 2 271.310 3.667 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000489462865 332054387 /nfs/dbraw/zinc/05/43/87/332054387.db2.gz LGIUFSIITJMXFE-INIZCTEOSA-N 1 2 297.402 3.509 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000489462865 332054388 /nfs/dbraw/zinc/05/43/88/332054388.db2.gz LGIUFSIITJMXFE-INIZCTEOSA-N 1 2 297.402 3.509 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC000491771981 332338376 /nfs/dbraw/zinc/33/83/76/332338376.db2.gz PROJCPYPPNMAGY-MRXNPFEDSA-N 1 2 287.794 3.582 20 30 CHEDLO C=CCCC[NH2+][C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000512280786 332961314 /nfs/dbraw/zinc/96/13/14/332961314.db2.gz XFJLUANDQDSJTL-INIZCTEOSA-N 1 2 295.810 3.674 20 30 CHEDLO Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1Cl ZINC000125096966 333563743 /nfs/dbraw/zinc/56/37/43/333563743.db2.gz ZOHPZXXORHTPKM-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO CCc1cc(Nc2cccc(OCCCC#N)c2)nc(C)[nH+]1 ZINC000542021698 333807298 /nfs/dbraw/zinc/80/72/98/333807298.db2.gz SPVNSYVTYAXHBQ-UHFFFAOYSA-N 1 2 296.374 3.774 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000542692557 333836258 /nfs/dbraw/zinc/83/62/58/333836258.db2.gz YRYHEILZLCGMOI-LLVKDONJSA-N 1 2 272.323 3.643 20 30 CHEDLO CC(C)Cc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000547341398 334081226 /nfs/dbraw/zinc/08/12/26/334081226.db2.gz SGDKKQXIACPVLZ-UHFFFAOYSA-N 1 2 279.387 3.958 20 30 CHEDLO N#Cc1ccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)o1 ZINC000564318998 334083829 /nfs/dbraw/zinc/08/38/29/334083829.db2.gz BRWOXZQBRUPUPD-UHFFFAOYSA-N 1 2 296.345 3.970 20 30 CHEDLO CCCCOc1ccccc1C[N@H+](CC)CCC#N ZINC000136152242 334148223 /nfs/dbraw/zinc/14/82/23/334148223.db2.gz QJSUNOVPFAEHDH-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+](CC)CCC#N ZINC000136152242 334148224 /nfs/dbraw/zinc/14/82/24/334148224.db2.gz QJSUNOVPFAEHDH-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO C=CCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000549039967 334183591 /nfs/dbraw/zinc/18/35/91/334183591.db2.gz LEUZFGYKIIOOLX-UHFFFAOYSA-N 1 2 284.172 3.522 20 30 CHEDLO C=CCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000549039967 334183592 /nfs/dbraw/zinc/18/35/92/334183592.db2.gz LEUZFGYKIIOOLX-UHFFFAOYSA-N 1 2 284.172 3.522 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000552085648 334287329 /nfs/dbraw/zinc/28/73/29/334287329.db2.gz GMQZQZKZWSJCOL-UHFFFAOYSA-N 1 2 282.334 3.578 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000552085648 334287331 /nfs/dbraw/zinc/28/73/31/334287331.db2.gz GMQZQZKZWSJCOL-UHFFFAOYSA-N 1 2 282.334 3.578 20 30 CHEDLO C=CC[N@H+](Cc1csc(Cc2ccccc2)n1)C1CC1 ZINC000552835753 334347196 /nfs/dbraw/zinc/34/71/96/334347196.db2.gz ZIBCKFNJHNSIMK-UHFFFAOYSA-N 1 2 284.428 3.884 20 30 CHEDLO C=CC[N@@H+](Cc1csc(Cc2ccccc2)n1)C1CC1 ZINC000552835753 334347198 /nfs/dbraw/zinc/34/71/98/334347198.db2.gz ZIBCKFNJHNSIMK-UHFFFAOYSA-N 1 2 284.428 3.884 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(CCC(C)C)n1 ZINC000566429125 334648363 /nfs/dbraw/zinc/64/83/63/334648363.db2.gz QCRFQCZVGVKPHG-GFCCVEGCSA-N 1 2 265.426 3.514 20 30 CHEDLO N#CC[N@@H+](C[C@H]1CCCCC1(F)F)C1CCCC1 ZINC000381741800 336072160 /nfs/dbraw/zinc/07/21/60/336072160.db2.gz URUDNSQWVCBLBU-GFCCVEGCSA-N 1 2 256.340 3.580 20 30 CHEDLO N#CC[N@H+](C[C@H]1CCCCC1(F)F)C1CCCC1 ZINC000381741800 336072162 /nfs/dbraw/zinc/07/21/62/336072162.db2.gz URUDNSQWVCBLBU-GFCCVEGCSA-N 1 2 256.340 3.580 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ncc(-c2ccccc2)o1 ZINC000332169887 533985089 /nfs/dbraw/zinc/98/50/89/533985089.db2.gz KRKANGQBFZNEBX-AEGPPILISA-N 1 2 281.359 3.684 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)o1 ZINC000130847414 526100574 /nfs/dbraw/zinc/10/05/74/526100574.db2.gz TYGMNADNVFWJDC-NSHDSACASA-N 1 2 274.751 3.998 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000130847414 526100581 /nfs/dbraw/zinc/10/05/81/526100581.db2.gz TYGMNADNVFWJDC-NSHDSACASA-N 1 2 274.751 3.998 20 30 CHEDLO C=CCN(Cc1ccccc1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000351935663 526355162 /nfs/dbraw/zinc/35/51/62/526355162.db2.gz ILNCUXXTUKBKQH-UHFFFAOYSA-N 1 2 295.386 3.919 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936618 526426112 /nfs/dbraw/zinc/42/61/12/526426112.db2.gz RJVWGVXQNQUXQG-VIFPVBQESA-N 1 2 289.242 3.661 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106936618 526426119 /nfs/dbraw/zinc/42/61/19/526426119.db2.gz RJVWGVXQNQUXQG-VIFPVBQESA-N 1 2 289.242 3.661 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)c(C(F)(F)F)c1 ZINC000354520659 526612280 /nfs/dbraw/zinc/61/22/80/526612280.db2.gz LFGADUNYKGDFLV-GFCCVEGCSA-N 1 2 286.272 3.511 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(C(F)(F)F)c1 ZINC000354520659 526612288 /nfs/dbraw/zinc/61/22/88/526612288.db2.gz LFGADUNYKGDFLV-GFCCVEGCSA-N 1 2 286.272 3.511 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CF)c(C(F)(F)F)c1 ZINC000354520660 526614184 /nfs/dbraw/zinc/61/41/84/526614184.db2.gz LFGADUNYKGDFLV-LBPRGKRZSA-N 1 2 286.272 3.511 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CF)c(C(F)(F)F)c1 ZINC000354520660 526614190 /nfs/dbraw/zinc/61/41/90/526614190.db2.gz LFGADUNYKGDFLV-LBPRGKRZSA-N 1 2 286.272 3.511 20 30 CHEDLO C=C1CC[NH+](Cc2nc3ccccc3n2CCC)CC1 ZINC000353328153 526906206 /nfs/dbraw/zinc/90/62/06/526906206.db2.gz HBPRJQJVGIZMMU-UHFFFAOYSA-N 1 2 269.392 3.598 20 30 CHEDLO CC1=C[C@@H](C)C[C@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356061176 528133945 /nfs/dbraw/zinc/13/39/45/528133945.db2.gz JZPVGOWDTDNKOU-ZBFHGGJFSA-N 1 2 272.392 3.988 20 30 CHEDLO CC1=C[C@@H](C)C[C@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356061176 528133949 /nfs/dbraw/zinc/13/39/49/528133949.db2.gz JZPVGOWDTDNKOU-ZBFHGGJFSA-N 1 2 272.392 3.988 20 30 CHEDLO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000352090468 528386742 /nfs/dbraw/zinc/38/67/42/528386742.db2.gz ALFUMXRAYDTELR-OAHLLOKOSA-N 1 2 296.418 3.587 20 30 CHEDLO CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H](C)C#N ZINC000352090468 528386752 /nfs/dbraw/zinc/38/67/52/528386752.db2.gz ALFUMXRAYDTELR-OAHLLOKOSA-N 1 2 296.418 3.587 20 30 CHEDLO CC1(C#N)CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000332447827 528833382 /nfs/dbraw/zinc/83/33/82/528833382.db2.gz KVENOWPCFOXFAL-UHFFFAOYSA-N 1 2 284.407 3.566 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000127449470 1125460735 /nfs/dbraw/zinc/46/07/35/1125460735.db2.gz IPEXBYCBAYMGCZ-AWEZNQCLSA-N 1 2 299.805 3.873 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000127449470 1125460737 /nfs/dbraw/zinc/46/07/37/1125460737.db2.gz IPEXBYCBAYMGCZ-AWEZNQCLSA-N 1 2 299.805 3.873 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(-c2cccs2)on1 ZINC000052868617 1119486069 /nfs/dbraw/zinc/48/60/69/1119486069.db2.gz QYJXFEXWUNRRIL-UHFFFAOYSA-N 1 2 260.362 3.577 20 30 CHEDLO C=CC[N@@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509422651 1121587106 /nfs/dbraw/zinc/58/71/06/1121587106.db2.gz VQNOZPWFDGKWOH-SNVBAGLBSA-N 1 2 266.182 3.554 20 30 CHEDLO C=CC[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509422651 1121587110 /nfs/dbraw/zinc/58/71/10/1121587110.db2.gz VQNOZPWFDGKWOH-SNVBAGLBSA-N 1 2 266.182 3.554 20 30 CHEDLO CCCCCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201804128 1123150130 /nfs/dbraw/zinc/15/01/30/1123150130.db2.gz CGDNBEWPPNBYNA-AWEZNQCLSA-N 1 2 267.438 3.621 20 30 CHEDLO CCCCCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201804128 1123150132 /nfs/dbraw/zinc/15/01/32/1123150132.db2.gz CGDNBEWPPNBYNA-AWEZNQCLSA-N 1 2 267.438 3.621 20 30 CHEDLO C#CC1CC[NH+](Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001232704328 1132508632 /nfs/dbraw/zinc/50/86/32/1132508632.db2.gz XTZVKFQHNAXYSH-UHFFFAOYSA-N 1 2 286.177 3.978 20 30 CHEDLO C#CC1(Nc2cc(SCC)cc[nH+]2)CCCCC1 ZINC001162480011 1133081663 /nfs/dbraw/zinc/08/16/63/1133081663.db2.gz UGMZZSHJPSEJPB-UHFFFAOYSA-N 1 2 260.406 3.942 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C#N)CCC#N ZINC000121001393 1125556328 /nfs/dbraw/zinc/55/63/28/1125556328.db2.gz IKTZIIUKQHRITR-LBPRGKRZSA-N 1 2 296.201 3.869 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C#N)CCC#N ZINC000121001393 1125556333 /nfs/dbraw/zinc/55/63/33/1125556333.db2.gz IKTZIIUKQHRITR-LBPRGKRZSA-N 1 2 296.201 3.869 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(F)c1F ZINC001143596788 1125572706 /nfs/dbraw/zinc/57/27/06/1125572706.db2.gz CLOTYTLDTUEIEM-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(F)c1F ZINC001143596788 1125572713 /nfs/dbraw/zinc/57/27/13/1125572713.db2.gz CLOTYTLDTUEIEM-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCc1cc2ccccc2[nH]1 ZINC000135056165 1125575160 /nfs/dbraw/zinc/57/51/60/1125575160.db2.gz FGQMDKFXVZYIBK-LDADJPATSA-N 1 2 264.328 3.535 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000161891361 1125715905 /nfs/dbraw/zinc/71/59/05/1125715905.db2.gz JZYXQRULKDNMRN-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000161891361 1125715910 /nfs/dbraw/zinc/71/59/10/1125715910.db2.gz JZYXQRULKDNMRN-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO N#CCC[N@H+](CCCC1CCCC1)Cc1ccccn1 ZINC000088535227 1125732783 /nfs/dbraw/zinc/73/27/83/1125732783.db2.gz GRXIQAZHUUSOEA-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO N#CCC[N@@H+](CCCC1CCCC1)Cc1ccccn1 ZINC000088535227 1125732791 /nfs/dbraw/zinc/73/27/91/1125732791.db2.gz GRXIQAZHUUSOEA-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO Cc1ccc(O)c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c1 ZINC000757468605 1125756570 /nfs/dbraw/zinc/75/65/70/1125756570.db2.gz SKHOKMPDMOVEMD-SOFGYWHQSA-N 1 2 292.338 3.553 20 30 CHEDLO Cc1cc(C)cc(C2=CC[N@H+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000092427251 1125756944 /nfs/dbraw/zinc/75/69/44/1125756944.db2.gz SRLFKYZKVOIFLA-QGZVFWFLSA-N 1 2 293.414 3.836 20 30 CHEDLO Cc1cc(C)cc(C2=CC[N@@H+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000092427251 1125756947 /nfs/dbraw/zinc/75/69/47/1125756947.db2.gz SRLFKYZKVOIFLA-QGZVFWFLSA-N 1 2 293.414 3.836 20 30 CHEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2c(C)c1Cl ZINC000746457568 1129666444 /nfs/dbraw/zinc/66/64/44/1129666444.db2.gz ITVCLGLFBOGOPL-UHFFFAOYSA-N 1 2 272.779 3.652 20 30 CHEDLO C#CC[N@H+](CC)Cc1nc2ccccc2c(C)c1Cl ZINC000746457568 1129666445 /nfs/dbraw/zinc/66/64/45/1129666445.db2.gz ITVCLGLFBOGOPL-UHFFFAOYSA-N 1 2 272.779 3.652 20 30 CHEDLO CO[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287747 1126731526 /nfs/dbraw/zinc/73/15/26/1126731526.db2.gz QARVPLGWJMSJJS-WBMJQRKESA-N 1 2 292.810 3.652 20 30 CHEDLO CO[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287747 1126731530 /nfs/dbraw/zinc/73/15/30/1126731530.db2.gz QARVPLGWJMSJJS-WBMJQRKESA-N 1 2 292.810 3.652 20 30 CHEDLO C[C@@H]([NH2+]CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000338400113 1126739434 /nfs/dbraw/zinc/73/94/34/1126739434.db2.gz QVCXFWBNFQOVMS-CQSZACIVSA-N 1 2 293.370 3.503 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC(F)(F)F)ccc1F ZINC001255155015 1130491286 /nfs/dbraw/zinc/49/12/86/1130491286.db2.gz KDSNVNJKQJJMSD-SNVBAGLBSA-N 1 2 290.260 3.506 20 30 CHEDLO CC(=NOCCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000905462215 1126903897 /nfs/dbraw/zinc/90/38/97/1126903897.db2.gz NAXLVQDHUNVWKX-UHFFFAOYSA-N 1 2 297.280 3.565 20 30 CHEDLO CN1CCCc2cc([NH2+][C@H]3CCC[C@H](C#N)C3)ccc21 ZINC000185887776 1126904893 /nfs/dbraw/zinc/90/48/93/1126904893.db2.gz DWWVUUJIROWHNS-ZFWWWQNUSA-N 1 2 269.392 3.563 20 30 CHEDLO C[N@@H+]1CCCc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc21 ZINC000185887776 1126904894 /nfs/dbraw/zinc/90/48/94/1126904894.db2.gz DWWVUUJIROWHNS-ZFWWWQNUSA-N 1 2 269.392 3.563 20 30 CHEDLO C[N@H+]1CCCc2cc(N[C@H]3CCC[C@H](C#N)C3)ccc21 ZINC000185887776 1126904896 /nfs/dbraw/zinc/90/48/96/1126904896.db2.gz DWWVUUJIROWHNS-ZFWWWQNUSA-N 1 2 269.392 3.563 20 30 CHEDLO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000668492524 1126916800 /nfs/dbraw/zinc/91/68/00/1126916800.db2.gz CNNIYMSGBRUULX-SNVBAGLBSA-N 1 2 290.354 3.950 20 30 CHEDLO C=CC[C@@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000668492524 1126916803 /nfs/dbraw/zinc/91/68/03/1126916803.db2.gz CNNIYMSGBRUULX-SNVBAGLBSA-N 1 2 290.354 3.950 20 30 CHEDLO CC[N@H+](Cc1nccs1)[C@H](C)c1ccc(C#N)cc1 ZINC000269698543 1127044584 /nfs/dbraw/zinc/04/45/84/1127044584.db2.gz XZDKLXHCPVUMNI-GFCCVEGCSA-N 1 2 271.389 3.598 20 30 CHEDLO CC[N@@H+](Cc1nccs1)[C@H](C)c1ccc(C#N)cc1 ZINC000269698543 1127044586 /nfs/dbraw/zinc/04/45/86/1127044586.db2.gz XZDKLXHCPVUMNI-GFCCVEGCSA-N 1 2 271.389 3.598 20 30 CHEDLO C=C[C@@H](CC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000339208957 1127119229 /nfs/dbraw/zinc/11/92/29/1127119229.db2.gz SFDJBJAWTRCRIB-AWEZNQCLSA-N 1 2 291.354 3.633 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000913396120 1127131737 /nfs/dbraw/zinc/13/17/37/1127131737.db2.gz KPPDSRXHJJWPRS-UHFFFAOYSA-N 1 2 279.689 3.770 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000913396120 1127131738 /nfs/dbraw/zinc/13/17/38/1127131738.db2.gz KPPDSRXHJJWPRS-UHFFFAOYSA-N 1 2 279.689 3.770 20 30 CHEDLO C=CC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000351598302 1127197407 /nfs/dbraw/zinc/19/74/07/1127197407.db2.gz ITKZLEJRWSKHQW-UHFFFAOYSA-N 1 2 291.398 3.762 20 30 CHEDLO C=CC[N@H+](Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000351598302 1127197411 /nfs/dbraw/zinc/19/74/11/1127197411.db2.gz ITKZLEJRWSKHQW-UHFFFAOYSA-N 1 2 291.398 3.762 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000589173320 1127213792 /nfs/dbraw/zinc/21/37/92/1127213792.db2.gz XBMOSHLBYBPFLN-OUMXJLHTSA-N 1 2 276.330 3.604 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000589173320 1127213795 /nfs/dbraw/zinc/21/37/95/1127213795.db2.gz XBMOSHLBYBPFLN-OUMXJLHTSA-N 1 2 276.330 3.604 20 30 CHEDLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1cccc(C#N)c1 ZINC000589258997 1127217141 /nfs/dbraw/zinc/21/71/41/1127217141.db2.gz PSUHUWOIBUKGLM-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000589503662 1127223741 /nfs/dbraw/zinc/22/37/41/1127223741.db2.gz YBYIPATXKOZNTE-QGZVFWFLSA-N 1 2 297.427 3.770 20 30 CHEDLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589503662 1127223743 /nfs/dbraw/zinc/22/37/43/1127223743.db2.gz YBYIPATXKOZNTE-QGZVFWFLSA-N 1 2 297.427 3.770 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](F)CC ZINC000352916927 1127250397 /nfs/dbraw/zinc/25/03/97/1127250397.db2.gz UDLQOYMRPPBGGS-OAHLLOKOSA-N 1 2 267.392 3.590 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](F)CC ZINC000352916927 1127250401 /nfs/dbraw/zinc/25/04/01/1127250401.db2.gz UDLQOYMRPPBGGS-OAHLLOKOSA-N 1 2 267.392 3.590 20 30 CHEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000590257843 1127253230 /nfs/dbraw/zinc/25/32/30/1127253230.db2.gz KVNQRGHETDLQBM-DYVFJYSZSA-N 1 2 282.391 3.804 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C)n1 ZINC000352958027 1127254143 /nfs/dbraw/zinc/25/41/43/1127254143.db2.gz XQXSYNFESWNEKD-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C)n1 ZINC000352958027 1127254146 /nfs/dbraw/zinc/25/41/46/1127254146.db2.gz XQXSYNFESWNEKD-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648737 1127266965 /nfs/dbraw/zinc/26/69/65/1127266965.db2.gz CGUAKAHVNDVGPO-MLGOLLRUSA-N 1 2 278.346 3.694 20 30 CHEDLO C[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648737 1127266967 /nfs/dbraw/zinc/26/69/67/1127266967.db2.gz CGUAKAHVNDVGPO-MLGOLLRUSA-N 1 2 278.346 3.694 20 30 CHEDLO COc1ccc2oc(C[N@H+](C[C@H](C)C#N)C3CC3)cc2c1 ZINC000354033514 1127287759 /nfs/dbraw/zinc/28/77/59/1127287759.db2.gz MEEVRVPMXRVUCQ-GFCCVEGCSA-N 1 2 284.359 3.565 20 30 CHEDLO COc1ccc2oc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc2c1 ZINC000354033514 1127287762 /nfs/dbraw/zinc/28/77/62/1127287762.db2.gz MEEVRVPMXRVUCQ-GFCCVEGCSA-N 1 2 284.359 3.565 20 30 CHEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccncc1C#N ZINC000592060454 1127332451 /nfs/dbraw/zinc/33/24/51/1127332451.db2.gz MCWBPULAZXRDQL-HNNXBMFYSA-N 1 2 283.400 3.524 20 30 CHEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592060454 1127332454 /nfs/dbraw/zinc/33/24/54/1127332454.db2.gz MCWBPULAZXRDQL-HNNXBMFYSA-N 1 2 283.400 3.524 20 30 CHEDLO C=CCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000355391065 1127338478 /nfs/dbraw/zinc/33/84/78/1127338478.db2.gz OEZUEUJDINVBHK-UHFFFAOYSA-N 1 2 295.386 3.791 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000058528044 1127356381 /nfs/dbraw/zinc/35/63/81/1127356381.db2.gz QSGGWXRCNPIRET-UHFFFAOYSA-N 1 2 271.813 3.601 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000058528044 1127356386 /nfs/dbraw/zinc/35/63/86/1127356386.db2.gz QSGGWXRCNPIRET-UHFFFAOYSA-N 1 2 271.813 3.601 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000595616551 1127467880 /nfs/dbraw/zinc/46/78/80/1127467880.db2.gz UUXQQLVJWSAMIS-ZDUSSCGKSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000595616551 1127467881 /nfs/dbraw/zinc/46/78/81/1127467881.db2.gz UUXQQLVJWSAMIS-ZDUSSCGKSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000595611302 1127470467 /nfs/dbraw/zinc/47/04/67/1127470467.db2.gz IYONTPWUYZEEDF-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000595611302 1127470469 /nfs/dbraw/zinc/47/04/69/1127470469.db2.gz IYONTPWUYZEEDF-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO C[C@]1(Cc2cccc3ccccc32)CCC[N@@H+]1CC#N ZINC000595863421 1127478083 /nfs/dbraw/zinc/47/80/83/1127478083.db2.gz GMPYVHVVGMFQSR-GOSISDBHSA-N 1 2 264.372 3.760 20 30 CHEDLO C[C@]1(Cc2cccc3ccccc32)CCC[N@H+]1CC#N ZINC000595863421 1127478086 /nfs/dbraw/zinc/47/80/86/1127478086.db2.gz GMPYVHVVGMFQSR-GOSISDBHSA-N 1 2 264.372 3.760 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360703934 1127507150 /nfs/dbraw/zinc/50/71/50/1127507150.db2.gz PLWCOXQGVKOQSP-UHFFFAOYSA-N 1 2 292.357 3.745 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360703934 1127507152 /nfs/dbraw/zinc/50/71/52/1127507152.db2.gz PLWCOXQGVKOQSP-UHFFFAOYSA-N 1 2 292.357 3.745 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360706947 1127507359 /nfs/dbraw/zinc/50/73/59/1127507359.db2.gz FMIVFQBRHPBPOB-UHFFFAOYSA-N 1 2 292.357 3.745 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360706947 1127507361 /nfs/dbraw/zinc/50/73/61/1127507361.db2.gz FMIVFQBRHPBPOB-UHFFFAOYSA-N 1 2 292.357 3.745 20 30 CHEDLO Cc1cccc2[nH]c(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc21 ZINC000597025874 1127525394 /nfs/dbraw/zinc/52/53/94/1127525394.db2.gz IIIZVHWHKHUMNG-LBPRGKRZSA-N 1 2 267.376 3.600 20 30 CHEDLO Cc1cccc2[nH]c(C[N@H+](C[C@@H](C)C#N)C3CC3)cc21 ZINC000597025874 1127525396 /nfs/dbraw/zinc/52/53/96/1127525396.db2.gz IIIZVHWHKHUMNG-LBPRGKRZSA-N 1 2 267.376 3.600 20 30 CHEDLO Cc1ccc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)[nH]c2c1 ZINC000597079291 1127527334 /nfs/dbraw/zinc/52/73/34/1127527334.db2.gz FNCZFVQWSQFMLF-QGZVFWFLSA-N 1 2 267.376 3.602 20 30 CHEDLO Cc1ccc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)[nH]c2c1 ZINC000597079291 1127527336 /nfs/dbraw/zinc/52/73/36/1127527336.db2.gz FNCZFVQWSQFMLF-QGZVFWFLSA-N 1 2 267.376 3.602 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000597176292 1127532635 /nfs/dbraw/zinc/53/26/35/1127532635.db2.gz HJZIRHQQZOZRHE-SNVBAGLBSA-N 1 2 288.338 3.893 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000597176292 1127532638 /nfs/dbraw/zinc/53/26/38/1127532638.db2.gz HJZIRHQQZOZRHE-SNVBAGLBSA-N 1 2 288.338 3.893 20 30 CHEDLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597230615 1127534751 /nfs/dbraw/zinc/53/47/51/1127534751.db2.gz SKWUDKXBSSISPU-HNNXBMFYSA-N 1 2 262.422 3.781 20 30 CHEDLO CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597230615 1127534753 /nfs/dbraw/zinc/53/47/53/1127534753.db2.gz SKWUDKXBSSISPU-HNNXBMFYSA-N 1 2 262.422 3.781 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230437 1127535723 /nfs/dbraw/zinc/53/57/23/1127535723.db2.gz GOPXTMOMVTVBKV-GOSISDBHSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230437 1127535725 /nfs/dbraw/zinc/53/57/25/1127535725.db2.gz GOPXTMOMVTVBKV-GOSISDBHSA-N 1 2 280.371 3.584 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361564174 1127572478 /nfs/dbraw/zinc/57/24/78/1127572478.db2.gz MNLYFFSATGPURC-LLVKDONJSA-N 1 2 290.313 3.959 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361564174 1127572479 /nfs/dbraw/zinc/57/24/79/1127572479.db2.gz MNLYFFSATGPURC-LLVKDONJSA-N 1 2 290.313 3.959 20 30 CHEDLO C=CCCCCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000294526075 1127580803 /nfs/dbraw/zinc/58/08/03/1127580803.db2.gz ZPPDGVLBYFFEGS-AWEZNQCLSA-N 1 2 290.436 3.682 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)sn1 ZINC000602487408 1127584839 /nfs/dbraw/zinc/58/48/39/1127584839.db2.gz XGGRGXPIMJWCDJ-SJORKVTESA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)sn1 ZINC000602487408 1127584842 /nfs/dbraw/zinc/58/48/42/1127584842.db2.gz XGGRGXPIMJWCDJ-SJORKVTESA-N 1 2 297.427 3.723 20 30 CHEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000602661438 1127602857 /nfs/dbraw/zinc/60/28/57/1127602857.db2.gz FKVHJTJJNKTCOB-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000602661438 1127602859 /nfs/dbraw/zinc/60/28/59/1127602859.db2.gz FKVHJTJJNKTCOB-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975768 1127624853 /nfs/dbraw/zinc/62/48/53/1127624853.db2.gz HCEBMTZMSYLYDT-GDBMZVCRSA-N 1 2 272.392 3.598 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975768 1127624854 /nfs/dbraw/zinc/62/48/54/1127624854.db2.gz HCEBMTZMSYLYDT-GDBMZVCRSA-N 1 2 272.392 3.598 20 30 CHEDLO C[C@]12CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@H]1C2(F)F ZINC000298234596 1127717344 /nfs/dbraw/zinc/71/73/44/1127717344.db2.gz HZUWWFMVZJRGHC-KGLIPLIRSA-N 1 2 296.748 3.689 20 30 CHEDLO C[C@]12CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@H]1C2(F)F ZINC000298234596 1127717345 /nfs/dbraw/zinc/71/73/45/1127717345.db2.gz HZUWWFMVZJRGHC-KGLIPLIRSA-N 1 2 296.748 3.689 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(C(C)C)no1 ZINC000299172327 1127741233 /nfs/dbraw/zinc/74/12/33/1127741233.db2.gz YGGWSIWRDWEJBZ-ZDUSSCGKSA-N 1 2 289.379 3.578 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(C(C)C)no1 ZINC000299172327 1127741234 /nfs/dbraw/zinc/74/12/34/1127741234.db2.gz YGGWSIWRDWEJBZ-ZDUSSCGKSA-N 1 2 289.379 3.578 20 30 CHEDLO C#CC[N@@H+](Cc1sc(C)nc1C)Cc1ccc(F)cc1 ZINC000172765121 1127784194 /nfs/dbraw/zinc/78/41/94/1127784194.db2.gz ZUUFHFYYEUCESF-UHFFFAOYSA-N 1 2 288.391 3.534 20 30 CHEDLO C#CC[N@H+](Cc1sc(C)nc1C)Cc1ccc(F)cc1 ZINC000172765121 1127784196 /nfs/dbraw/zinc/78/41/96/1127784196.db2.gz ZUUFHFYYEUCESF-UHFFFAOYSA-N 1 2 288.391 3.534 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000411165974 1127843678 /nfs/dbraw/zinc/84/36/78/1127843678.db2.gz RCLMDBOGTDFUEJ-CYBMUJFWSA-N 1 2 292.810 3.649 20 30 CHEDLO N#CCCCCNc1ccc(C2(C(F)(F)F)CC2)c[nH+]1 ZINC001168429289 1127922156 /nfs/dbraw/zinc/92/21/56/1127922156.db2.gz OVDGZKFAZFLNIZ-UHFFFAOYSA-N 1 2 283.297 3.781 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(F)cc1Br)C1CC1 ZINC000540053460 1127959327 /nfs/dbraw/zinc/95/93/27/1127959327.db2.gz BTYXWFXKTFOPAY-UHFFFAOYSA-N 1 2 284.172 3.739 20 30 CHEDLO C=CC[N@H+](Cc1ccc(F)cc1Br)C1CC1 ZINC000540053460 1127959329 /nfs/dbraw/zinc/95/93/29/1127959329.db2.gz BTYXWFXKTFOPAY-UHFFFAOYSA-N 1 2 284.172 3.739 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1C#N ZINC000469255229 1128038838 /nfs/dbraw/zinc/03/88/38/1128038838.db2.gz VMNMEPYRJRXGEV-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1C#N ZINC000469255229 1128038841 /nfs/dbraw/zinc/03/88/41/1128038841.db2.gz VMNMEPYRJRXGEV-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO Cc1cc(CNc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000443991305 1128109731 /nfs/dbraw/zinc/10/97/31/1128109731.db2.gz UBYCUEGMXKPSBR-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C#N)c1O ZINC000926355166 1128168681 /nfs/dbraw/zinc/16/86/81/1128168681.db2.gz DCYBFIYWSFUCSW-MQBCKMQZSA-N 1 2 297.402 3.635 20 30 CHEDLO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C#N)c1O ZINC000926427370 1128171876 /nfs/dbraw/zinc/17/18/76/1128171876.db2.gz ZCTBKDNGJCSRHR-OAHLLOKOSA-N 1 2 285.391 3.635 20 30 CHEDLO CCC[C@@H]([NH2+]CC1(C#N)CCC1)c1ncccc1Cl ZINC000926623162 1128183945 /nfs/dbraw/zinc/18/39/45/1128183945.db2.gz BNBQZGNFESPUJA-CYBMUJFWSA-N 1 2 277.799 3.860 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000926943166 1128204453 /nfs/dbraw/zinc/20/44/53/1128204453.db2.gz AAEVWZRFOLHGEF-CYZMBNFOSA-N 1 2 298.308 3.503 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1nc(C(C)C)ns1)c1ccccc1 ZINC000930221473 1128308368 /nfs/dbraw/zinc/30/83/68/1128308368.db2.gz UMRVGACVVBADPC-CQSZACIVSA-N 1 2 285.416 3.516 20 30 CHEDLO O=C1c2sc3ccccc3c2CC/C1=C/c1[nH]cc[nH+]1 ZINC000763101111 1128351504 /nfs/dbraw/zinc/35/15/04/1128351504.db2.gz LHYYLGBUWFTEQV-KTKRTIGZSA-N 1 2 280.352 3.837 20 30 CHEDLO O=C1c2sc3ccccc3c2CC/C1=C\c1[nH]cc[nH+]1 ZINC000763101112 1128352038 /nfs/dbraw/zinc/35/20/38/1128352038.db2.gz LHYYLGBUWFTEQV-MDZDMXLPSA-N 1 2 280.352 3.837 20 30 CHEDLO C=C[C@@H](CC)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000931271113 1128355154 /nfs/dbraw/zinc/35/51/54/1128355154.db2.gz YKNAZOUNECCCSV-LBPRGKRZSA-N 1 2 269.348 3.618 20 30 CHEDLO Cc1c[nH+]c(CCSCc2nc(C#N)cs2)c(C)c1 ZINC000563141750 1128451697 /nfs/dbraw/zinc/45/16/97/1128451697.db2.gz KWRRWINMOYRZOG-UHFFFAOYSA-N 1 2 289.429 3.503 20 30 CHEDLO Cc1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917022476 1128468791 /nfs/dbraw/zinc/46/87/91/1128468791.db2.gz DKDAHTZVNZZJOF-UHFFFAOYSA-N 1 2 276.343 3.627 20 30 CHEDLO CCCCCCC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000917523851 1128502711 /nfs/dbraw/zinc/50/27/11/1128502711.db2.gz YCLONLFUTJZPIO-CYBMUJFWSA-N 1 2 289.427 3.772 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000564481832 1128510318 /nfs/dbraw/zinc/51/03/18/1128510318.db2.gz OVGQLITZNUWKAV-UHFFFAOYSA-N 1 2 299.393 3.995 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000564481832 1128510322 /nfs/dbraw/zinc/51/03/22/1128510322.db2.gz OVGQLITZNUWKAV-UHFFFAOYSA-N 1 2 299.393 3.995 20 30 CHEDLO CCCCCCCCCN(C)c1[nH+]cnc2c1cnn2C ZINC000918735702 1128569354 /nfs/dbraw/zinc/56/93/54/1128569354.db2.gz NZYRKSWNGWYURW-UHFFFAOYSA-N 1 2 289.427 3.550 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1Br)C1CC1 ZINC000569254907 1128602471 /nfs/dbraw/zinc/60/24/71/1128602471.db2.gz JNZVFBZQLHRVRY-UHFFFAOYSA-N 1 2 296.208 3.608 20 30 CHEDLO C=CC[N@H+](Cc1ccc(OC)cc1Br)C1CC1 ZINC000569254907 1128602474 /nfs/dbraw/zinc/60/24/74/1128602474.db2.gz JNZVFBZQLHRVRY-UHFFFAOYSA-N 1 2 296.208 3.608 20 30 CHEDLO C=CCCc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571926923 1128640628 /nfs/dbraw/zinc/64/06/28/1128640628.db2.gz JBLKINKBKUKPPJ-AWEZNQCLSA-N 1 2 283.375 3.592 20 30 CHEDLO Cc1cnc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)s1 ZINC000348511915 1117749857 /nfs/dbraw/zinc/74/98/57/1117749857.db2.gz HCEWKCJEHLJHJL-GFCCVEGCSA-N 1 2 290.819 3.807 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](F)C2)c(Cl)c1 ZINC001238080141 1117769718 /nfs/dbraw/zinc/76/97/18/1117769718.db2.gz MOQZHMHBXQNQGW-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(Cl)c1 ZINC001238080141 1117769723 /nfs/dbraw/zinc/76/97/23/1117769723.db2.gz MOQZHMHBXQNQGW-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO Cc1cc(C)c(Nc2sc3c(c2C#N)CCC3)c[nH+]1 ZINC001213505636 1117826972 /nfs/dbraw/zinc/82/69/72/1117826972.db2.gz LHBYEYBIADVPNV-UHFFFAOYSA-N 1 2 269.373 3.864 20 30 CHEDLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)C[C@H](C)C#N ZINC000064797322 1117849928 /nfs/dbraw/zinc/84/99/28/1117849928.db2.gz XDNCMPVLSXSCKH-NXEZZACHSA-N 1 2 254.736 3.632 20 30 CHEDLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)C[C@H](C)C#N ZINC000064797322 1117849933 /nfs/dbraw/zinc/84/99/33/1117849933.db2.gz XDNCMPVLSXSCKH-NXEZZACHSA-N 1 2 254.736 3.632 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1csc(Cl)c1Cl ZINC000336760669 1117919479 /nfs/dbraw/zinc/91/94/79/1117919479.db2.gz MKEGDRUZMDPHGJ-UHFFFAOYSA-N 1 2 263.193 3.694 20 30 CHEDLO C=CCCC[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001209163285 1118006761 /nfs/dbraw/zinc/00/67/61/1118006761.db2.gz BOYMMISNZLYLAQ-HNNXBMFYSA-N 1 2 265.784 3.680 20 30 CHEDLO C=CCCC[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001209163285 1118006764 /nfs/dbraw/zinc/00/67/64/1118006764.db2.gz BOYMMISNZLYLAQ-HNNXBMFYSA-N 1 2 265.784 3.680 20 30 CHEDLO Cc1ccccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000255062386 1118172354 /nfs/dbraw/zinc/17/23/54/1118172354.db2.gz LEMGGYHROAJQPY-KTKRTIGZSA-N 1 2 262.312 3.539 20 30 CHEDLO N#Cc1cccc(Nc2cccc3cc[nH+]cc32)c1F ZINC001210230724 1118214084 /nfs/dbraw/zinc/21/40/84/1118214084.db2.gz AFVUXXAETBATFJ-UHFFFAOYSA-N 1 2 263.275 3.989 20 30 CHEDLO Cc1cc(C#N)c(Nc2c[nH+]c(C)c(N)c2)cc1Cl ZINC001210294068 1118237391 /nfs/dbraw/zinc/23/73/91/1118237391.db2.gz RJCFNXZDYYCMJK-UHFFFAOYSA-N 1 2 272.739 3.549 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000616731795 1118397743 /nfs/dbraw/zinc/39/77/43/1118397743.db2.gz OYFMUEOTVDSGGO-UHFFFAOYSA-N 1 2 290.313 3.864 20 30 CHEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186248819 1118400136 /nfs/dbraw/zinc/40/01/36/1118400136.db2.gz AAJJQFSTLRAYAE-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186248819 1118400140 /nfs/dbraw/zinc/40/01/40/1118400140.db2.gz AAJJQFSTLRAYAE-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616756146 1118403567 /nfs/dbraw/zinc/40/35/67/1118403567.db2.gz LTZYUGNLAQAOOM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616756146 1118403570 /nfs/dbraw/zinc/40/35/70/1118403570.db2.gz LTZYUGNLAQAOOM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)c(C#N)cc2C)c[nH+]1 ZINC001213518483 1118517793 /nfs/dbraw/zinc/51/77/93/1118517793.db2.gz QINXJGRQTQDEDX-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)s1 ZINC000180310841 1128785686 /nfs/dbraw/zinc/78/56/86/1128785686.db2.gz PDGUGLNOSFHADM-SOFGYWHQSA-N 1 2 282.368 3.854 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc(F)cc(F)c1 ZINC000180315319 1128786351 /nfs/dbraw/zinc/78/63/51/1128786351.db2.gz XFXKWJCIMYPGEH-SNAWJCMRSA-N 1 2 284.265 3.509 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c1 ZINC000255333162 1118641963 /nfs/dbraw/zinc/64/19/63/1118641963.db2.gz YZOAOQQFOFWAHU-HJWRWDBZSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccsc3)c[nH+]c12 ZINC000255333429 1118642197 /nfs/dbraw/zinc/64/21/97/1118642197.db2.gz UGQZRXGYBVKSEM-PLNGDYQASA-N 1 2 268.341 3.600 20 30 CHEDLO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC2(F)CC2)C1 ZINC000684357041 1118646496 /nfs/dbraw/zinc/64/64/96/1118646496.db2.gz PCWGJGVFRIUQKT-OCAPTIKFSA-N 1 2 293.226 3.551 20 30 CHEDLO FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC2(F)CC2)C1 ZINC000684357041 1118646498 /nfs/dbraw/zinc/64/64/98/1118646498.db2.gz PCWGJGVFRIUQKT-OCAPTIKFSA-N 1 2 293.226 3.551 20 30 CHEDLO O=C1c2ccc(Cl)cc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000255369908 1118720226 /nfs/dbraw/zinc/72/02/26/1118720226.db2.gz NVYYAMVBHFGENR-BENRWUELSA-N 1 2 294.741 3.810 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1csc(C#N)c1 ZINC000891910017 1118843950 /nfs/dbraw/zinc/84/39/50/1118843950.db2.gz WCBSXTHLQWZIRK-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1csc(C#N)c1 ZINC000891910017 1118843955 /nfs/dbraw/zinc/84/39/55/1118843955.db2.gz WCBSXTHLQWZIRK-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1csc(C#N)c1 ZINC000891910016 1118844015 /nfs/dbraw/zinc/84/40/15/1118844015.db2.gz WCBSXTHLQWZIRK-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1csc(C#N)c1 ZINC000891910016 1118844021 /nfs/dbraw/zinc/84/40/21/1118844021.db2.gz WCBSXTHLQWZIRK-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C=C(C)COc1cc(C[NH2+][C@H](C)C(C)(F)F)ccc1OC ZINC000449417716 1118878278 /nfs/dbraw/zinc/87/82/78/1118878278.db2.gz YZIGXGUUBOMRQW-GFCCVEGCSA-N 1 2 299.361 3.783 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1C#N ZINC000610994726 1118918991 /nfs/dbraw/zinc/91/89/91/1118918991.db2.gz OGOWUFXRBCTCJG-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1C#N ZINC000610994726 1118918993 /nfs/dbraw/zinc/91/89/93/1118918993.db2.gz OGOWUFXRBCTCJG-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccsc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000588489008 1118954980 /nfs/dbraw/zinc/95/49/80/1118954980.db2.gz FTHYCWZHQMSCFP-WAYWQWQTSA-N 1 2 298.367 3.609 20 30 CHEDLO N#Cc1ccnc(Oc2cccc(-n3cc[nH+]c3)c2)c1Cl ZINC000342409454 1119006495 /nfs/dbraw/zinc/00/64/95/1119006495.db2.gz DJQBXVFAYVGXSD-UHFFFAOYSA-N 1 2 296.717 3.585 20 30 CHEDLO C[N@H+](Cc1nc(C2CC2)cs1)Cc1cccc(C#N)c1 ZINC000342691700 1119128037 /nfs/dbraw/zinc/12/80/37/1119128037.db2.gz ISDKSLJFDQHMHP-UHFFFAOYSA-N 1 2 283.400 3.524 20 30 CHEDLO C[N@@H+](Cc1nc(C2CC2)cs1)Cc1cccc(C#N)c1 ZINC000342691700 1119128039 /nfs/dbraw/zinc/12/80/39/1119128039.db2.gz ISDKSLJFDQHMHP-UHFFFAOYSA-N 1 2 283.400 3.524 20 30 CHEDLO C=C(Br)C[N@H+](Cc1ccccc1)C1CC1 ZINC000052440103 1119377990 /nfs/dbraw/zinc/37/79/90/1119377990.db2.gz GHTPLYKHVMWHIV-UHFFFAOYSA-N 1 2 266.182 3.560 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000052440103 1119377993 /nfs/dbraw/zinc/37/79/93/1119377993.db2.gz GHTPLYKHVMWHIV-UHFFFAOYSA-N 1 2 266.182 3.560 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000329432035 1119411642 /nfs/dbraw/zinc/41/16/42/1119411642.db2.gz KRURPZGANGILHY-WCQYABFASA-N 1 2 286.379 3.547 20 30 CHEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329484878 1119421893 /nfs/dbraw/zinc/42/18/93/1119421893.db2.gz SLSQBOCUXKVXEG-BFHYXJOUSA-N 1 2 275.396 3.658 20 30 CHEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329484878 1119421895 /nfs/dbraw/zinc/42/18/95/1119421895.db2.gz SLSQBOCUXKVXEG-BFHYXJOUSA-N 1 2 275.396 3.658 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(F)c3)n2c1 ZINC000255640148 1119681134 /nfs/dbraw/zinc/68/11/34/1119681134.db2.gz SGBPDCRXEXTXIO-SREVYHEPSA-N 1 2 280.302 3.678 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161249 1119738138 /nfs/dbraw/zinc/73/81/38/1119738138.db2.gz QMZXRDHKGAUSFS-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161249 1119738141 /nfs/dbraw/zinc/73/81/41/1119738141.db2.gz QMZXRDHKGAUSFS-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406552 1119783645 /nfs/dbraw/zinc/78/36/45/1119783645.db2.gz PPRICHQNRRUTJV-SFHVURJKSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406552 1119783648 /nfs/dbraw/zinc/78/36/48/1119783648.db2.gz PPRICHQNRRUTJV-SFHVURJKSA-N 1 2 286.419 3.847 20 30 CHEDLO CCCOc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612405640 1119784192 /nfs/dbraw/zinc/78/41/92/1119784192.db2.gz BSQIHSWQINBBHS-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCOc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612405640 1119784195 /nfs/dbraw/zinc/78/41/95/1119784195.db2.gz BSQIHSWQINBBHS-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(cc(F)cc2F)C1=O ZINC000901487017 1128878477 /nfs/dbraw/zinc/87/84/77/1128878477.db2.gz WROXHMRZDOPEGZ-KMKOMSMNSA-N 1 2 288.297 3.565 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(F)c(F)c1 ZINC000255890936 1119944051 /nfs/dbraw/zinc/94/40/51/1119944051.db2.gz PFBJGKODOMBAFS-ALCCZGGFSA-N 1 2 284.265 3.509 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143469076 1119964478 /nfs/dbraw/zinc/96/44/78/1119964478.db2.gz QEUNPYMHWKBZBI-UHFFFAOYSA-N 1 2 286.297 3.629 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143469076 1119964481 /nfs/dbraw/zinc/96/44/81/1119964481.db2.gz QEUNPYMHWKBZBI-UHFFFAOYSA-N 1 2 286.297 3.629 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348539311 1120068714 /nfs/dbraw/zinc/06/87/14/1120068714.db2.gz LUDBIGQQAXOMKX-QGZVFWFLSA-N 1 2 266.319 3.644 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348539311 1120068720 /nfs/dbraw/zinc/06/87/20/1120068720.db2.gz LUDBIGQQAXOMKX-QGZVFWFLSA-N 1 2 266.319 3.644 20 30 CHEDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903101839 1120069759 /nfs/dbraw/zinc/06/97/59/1120069759.db2.gz NOMGYQGJZKZSCF-JTQLQIEISA-N 1 2 293.392 3.517 20 30 CHEDLO COC(=[NH2+])c1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001167710504 1120072488 /nfs/dbraw/zinc/07/24/88/1120072488.db2.gz LXMTZOKBOBWQJG-LBPRGKRZSA-N 1 2 279.343 3.703 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236796344 1128892152 /nfs/dbraw/zinc/89/21/52/1128892152.db2.gz OFMNUGGGBFQOGY-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@@H]3CCNc4ccccc43)c2)CC1 ZINC001168643830 1120134856 /nfs/dbraw/zinc/13/48/56/1120134856.db2.gz BKADYXBTKRQYEB-MRXNPFEDSA-N 1 2 290.370 3.606 20 30 CHEDLO C=CCCC[C@@H](C(=O)OCc1c[nH+]cn1C)c1ccccc1 ZINC000892779534 1120141407 /nfs/dbraw/zinc/14/14/07/1120141407.db2.gz PTYJLQPHYLYAHW-QGZVFWFLSA-N 1 2 298.386 3.603 20 30 CHEDLO C=CC[N@H+](Cc1cc(C2CC2)no1)Cc1ccc(OC)cc1 ZINC000659848839 1120184819 /nfs/dbraw/zinc/18/48/19/1120184819.db2.gz IQPICTUZPGTIKX-UHFFFAOYSA-N 1 2 298.386 3.749 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C2CC2)no1)Cc1ccc(OC)cc1 ZINC000659848839 1120184822 /nfs/dbraw/zinc/18/48/22/1120184822.db2.gz IQPICTUZPGTIKX-UHFFFAOYSA-N 1 2 298.386 3.749 20 30 CHEDLO C=CCOCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000672249492 1120266910 /nfs/dbraw/zinc/26/69/10/1120266910.db2.gz VGJRSODDRVHXDG-UHFFFAOYSA-N 1 2 262.740 3.503 20 30 CHEDLO CCSCc1cc[nH+]c(NCc2csc(C#N)c2)c1 ZINC000921943901 1120299048 /nfs/dbraw/zinc/29/90/48/1120299048.db2.gz PRQGEPJVDCQNSI-UHFFFAOYSA-N 1 2 289.429 3.880 20 30 CHEDLO CCCCCCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178358959 1120350368 /nfs/dbraw/zinc/35/03/68/1120350368.db2.gz VEPGRTDPEUYJBA-UHFFFAOYSA-N 1 2 287.407 3.701 20 30 CHEDLO CCCc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001117350362 1120471752 /nfs/dbraw/zinc/47/17/52/1120471752.db2.gz IRBOJNOJQBYABE-SEYXRHQNSA-N 1 2 294.398 3.996 20 30 CHEDLO CC(C)(C)c1coc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000922239252 1120480359 /nfs/dbraw/zinc/48/03/59/1120480359.db2.gz OXFJLXXYCYRXPP-UHFFFAOYSA-N 1 2 297.402 3.869 20 30 CHEDLO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000499766455 1120514591 /nfs/dbraw/zinc/51/45/91/1120514591.db2.gz BPNLJEKWOZGBJS-ULQDDVLXSA-N 1 2 278.440 3.596 20 30 CHEDLO CC(C)C[C@H](C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000499766455 1120514595 /nfs/dbraw/zinc/51/45/95/1120514595.db2.gz BPNLJEKWOZGBJS-ULQDDVLXSA-N 1 2 278.440 3.596 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](c2ccccc2)O1 ZINC000092486614 1120542976 /nfs/dbraw/zinc/54/29/76/1120542976.db2.gz WXAJEXIGTFALEK-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](c2ccccc2)O1 ZINC000092486614 1120542981 /nfs/dbraw/zinc/54/29/81/1120542981.db2.gz WXAJEXIGTFALEK-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO CCSc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000613746434 1120610019 /nfs/dbraw/zinc/61/00/19/1120610019.db2.gz WNHUHTPRIOKDTP-INIZCTEOSA-N 1 2 274.433 3.924 20 30 CHEDLO CCSc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000613746434 1120610021 /nfs/dbraw/zinc/61/00/21/1120610021.db2.gz WNHUHTPRIOKDTP-INIZCTEOSA-N 1 2 274.433 3.924 20 30 CHEDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000629711344 1128928560 /nfs/dbraw/zinc/92/85/60/1128928560.db2.gz FABIGNQBVLTIIR-IBGZPJMESA-N 1 2 290.366 3.561 20 30 CHEDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000629711344 1128928561 /nfs/dbraw/zinc/92/85/61/1128928561.db2.gz FABIGNQBVLTIIR-IBGZPJMESA-N 1 2 290.366 3.561 20 30 CHEDLO C#C[C@@H](OCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001223419381 1121148112 /nfs/dbraw/zinc/14/81/12/1121148112.db2.gz DADYINRWAVKKAP-QGZVFWFLSA-N 1 2 251.329 3.590 20 30 CHEDLO CC(C)COc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000348570720 1121201196 /nfs/dbraw/zinc/20/11/96/1121201196.db2.gz MKRZVHCZVMFMMA-UHFFFAOYSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000348570720 1121201191 /nfs/dbraw/zinc/20/11/91/1121201191.db2.gz MKRZVHCZVMFMMA-UHFFFAOYSA-N 1 2 286.419 3.847 20 30 CHEDLO C=CCc1cccc(C[N@H+]2CC[C@@H](C)C(F)(F)C2)c1O ZINC001138625336 1128975008 /nfs/dbraw/zinc/97/50/08/1128975008.db2.gz JNMKOUNAPQDJHF-GFCCVEGCSA-N 1 2 281.346 3.598 20 30 CHEDLO C=CCc1cccc(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)c1O ZINC001138625336 1128975011 /nfs/dbraw/zinc/97/50/11/1128975011.db2.gz JNMKOUNAPQDJHF-GFCCVEGCSA-N 1 2 281.346 3.598 20 30 CHEDLO CN(C)c1ccc(Nc2ccc(Cl)c(F)c2C#N)c[nH+]1 ZINC001175345563 1121273760 /nfs/dbraw/zinc/27/37/60/1121273760.db2.gz DUMKTGJSJSXEPT-UHFFFAOYSA-N 1 2 290.729 3.555 20 30 CHEDLO C=C(CC)C[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000773494224 1121297611 /nfs/dbraw/zinc/29/76/11/1121297611.db2.gz IITUFWLHVOEURA-UHFFFAOYSA-N 1 2 267.413 3.587 20 30 CHEDLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1C#N ZINC001175714920 1121434765 /nfs/dbraw/zinc/43/47/65/1121434765.db2.gz ZFQPKLRQCUWBGU-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000893962654 1121444264 /nfs/dbraw/zinc/44/42/64/1121444264.db2.gz QPTPUHDFFWTJRW-VIFPVBQESA-N 1 2 279.796 3.541 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000893962654 1121444271 /nfs/dbraw/zinc/44/42/71/1121444271.db2.gz QPTPUHDFFWTJRW-VIFPVBQESA-N 1 2 279.796 3.541 20 30 CHEDLO COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000543619726 1121529391 /nfs/dbraw/zinc/52/93/91/1121529391.db2.gz LXMLTUHSYRKZNY-AWEZNQCLSA-N 1 2 280.371 3.611 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC(C)(C)C#N ZINC000433302974 1121642686 /nfs/dbraw/zinc/64/26/86/1121642686.db2.gz ZIKYWEAAHQRTRI-AWEZNQCLSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(C)(C)C#N ZINC000433302974 1121642689 /nfs/dbraw/zinc/64/26/89/1121642689.db2.gz ZIKYWEAAHQRTRI-AWEZNQCLSA-N 1 2 266.335 3.897 20 30 CHEDLO N#CCC[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000611406950 1121645050 /nfs/dbraw/zinc/64/50/50/1121645050.db2.gz ICNJIVZGUOLJNJ-HNNXBMFYSA-N 1 2 291.354 3.962 20 30 CHEDLO CCSc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC001307602303 1121666666 /nfs/dbraw/zinc/66/66/66/1121666666.db2.gz QIKGAAWWNGIAHY-MRXNPFEDSA-N 1 2 274.433 3.924 20 30 CHEDLO CCSc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001307602303 1121666671 /nfs/dbraw/zinc/66/66/71/1121666671.db2.gz QIKGAAWWNGIAHY-MRXNPFEDSA-N 1 2 274.433 3.924 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000397672575 1121692514 /nfs/dbraw/zinc/69/25/14/1121692514.db2.gz GBLYNKLSKAXBJT-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000397672575 1121692519 /nfs/dbraw/zinc/69/25/19/1121692519.db2.gz GBLYNKLSKAXBJT-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO Cc1ccc2c(c1)CCC2=NNc1cc[nH+]c2ccccc12 ZINC000730145973 1121793916 /nfs/dbraw/zinc/79/39/16/1121793916.db2.gz AJTQQNGLXKXBRW-UHFFFAOYSA-N 1 2 287.366 3.728 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1cccc2cccnc12 ZINC000730147350 1121795147 /nfs/dbraw/zinc/79/51/47/1121795147.db2.gz CEFJLNQTCSWGFU-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO O=C1c2ccc(Cl)c(Cl)c2C/C1=C/c1[nH]cc[nH+]1 ZINC000731159427 1121852084 /nfs/dbraw/zinc/85/20/84/1121852084.db2.gz QUHJVOFCILRVLW-SREVYHEPSA-N 1 2 279.126 3.539 20 30 CHEDLO CC#CCCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280228342 1121879207 /nfs/dbraw/zinc/87/92/07/1121879207.db2.gz ODOMYMVQAGPJQX-UHFFFAOYSA-N 1 2 281.359 3.517 20 30 CHEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502743436 1122146074 /nfs/dbraw/zinc/14/60/74/1122146074.db2.gz BDEMKFZGCMIIRK-KRWDZBQOSA-N 1 2 297.377 3.766 20 30 CHEDLO CC#CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502743436 1122146077 /nfs/dbraw/zinc/14/60/77/1122146077.db2.gz BDEMKFZGCMIIRK-KRWDZBQOSA-N 1 2 297.377 3.766 20 30 CHEDLO Fc1cccc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774374634 1122157982 /nfs/dbraw/zinc/15/79/82/1122157982.db2.gz KTTMWHDMRVDWGY-UHFFFAOYSA-N 1 2 269.323 3.848 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@@H](CC)CCCC)C(=O)OCC ZINC001183312522 1122217257 /nfs/dbraw/zinc/21/72/57/1122217257.db2.gz KZMCDKILRDOSSK-STQMWFEESA-N 1 2 275.820 3.619 20 30 CHEDLO C=C(Cl)C[C@@H]([NH2+]C(CCC)CCC)C(=O)OCC ZINC001183313766 1122217696 /nfs/dbraw/zinc/21/76/96/1122217696.db2.gz SPKAHCKAKLLHFZ-CYBMUJFWSA-N 1 2 275.820 3.619 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccsc2Br)CCCC1 ZINC000405158748 1122464424 /nfs/dbraw/zinc/46/44/24/1122464424.db2.gz MLSCOOWSUBHBEK-UHFFFAOYSA-N 1 2 299.237 3.684 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(F)cc(F)c2C#N)c1 ZINC001203668026 1122442384 /nfs/dbraw/zinc/44/23/84/1122442384.db2.gz TVSVUGOSINJCLI-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C=CCC[C@@H]1CCCN1c1nc2ccccc2n2c[nH+]cc12 ZINC001187799250 1122443341 /nfs/dbraw/zinc/44/33/41/1122443341.db2.gz QILMYUGIQIMVLI-CQSZACIVSA-N 1 2 292.386 3.818 20 30 CHEDLO CC1CC[NH+](c2ccc(Nc3ccncc3C#N)cc2)CC1 ZINC000775416483 1122558503 /nfs/dbraw/zinc/55/85/03/1122558503.db2.gz GUTLTHJVTGWNRE-UHFFFAOYSA-N 1 2 292.386 3.933 20 30 CHEDLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC001193374952 1122687817 /nfs/dbraw/zinc/68/78/17/1122687817.db2.gz XUGPPPOSKXVUSA-CYBMUJFWSA-N 1 2 291.354 3.859 20 30 CHEDLO CC1(C#N)C[NH+](CC2CCC(c3ccccc3)CC2)C1 ZINC001193943453 1122735647 /nfs/dbraw/zinc/73/56/47/1122735647.db2.gz YNEJZFJTBANETO-UHFFFAOYSA-N 1 2 268.404 3.806 20 30 CHEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](CC)O1 ZINC001195298656 1122862062 /nfs/dbraw/zinc/86/20/62/1122862062.db2.gz GESYBIZKLPRDIN-CALCHBBNSA-N 1 2 291.822 3.581 20 30 CHEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](CC)O1 ZINC001195298656 1122862063 /nfs/dbraw/zinc/86/20/63/1122862063.db2.gz GESYBIZKLPRDIN-CALCHBBNSA-N 1 2 291.822 3.581 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCc1nc2ccccc2s1 ZINC000005402654 1123061756 /nfs/dbraw/zinc/06/17/56/1123061756.db2.gz HKUIOYWMMMMPKA-GZTJUZNOSA-N 1 2 282.368 3.664 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2cc(C#N)ccc2O)cc1 ZINC001201497405 1123111167 /nfs/dbraw/zinc/11/11/67/1123111167.db2.gz GTPHGTYCWACKMI-UHFFFAOYSA-N 1 2 267.332 3.828 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2c(O)cccc2C#N)cc1 ZINC001201499905 1123112080 /nfs/dbraw/zinc/11/20/80/1123112080.db2.gz UOANCODDCDDMRE-UHFFFAOYSA-N 1 2 267.332 3.828 20 30 CHEDLO C=CC[N@H+](CC=C(Cl)Cl)CCc1ccco1 ZINC000851913146 1123388915 /nfs/dbraw/zinc/38/89/15/1123388915.db2.gz VEOJVICYUYAOFQ-UHFFFAOYSA-N 1 2 260.164 3.629 20 30 CHEDLO C=CC[N@@H+](CC=C(Cl)Cl)CCc1ccco1 ZINC000851913146 1123388917 /nfs/dbraw/zinc/38/89/17/1123388917.db2.gz VEOJVICYUYAOFQ-UHFFFAOYSA-N 1 2 260.164 3.629 20 30 CHEDLO CC(C)c1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000852353816 1123403455 /nfs/dbraw/zinc/40/34/55/1123403455.db2.gz HIYLFCXDULXQOK-UHFFFAOYSA-N 1 2 283.375 3.695 20 30 CHEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000852518651 1123408201 /nfs/dbraw/zinc/40/82/01/1123408201.db2.gz LPKDXUTVVGBDQY-ZDUSSCGKSA-N 1 2 269.747 3.724 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000852518651 1123408205 /nfs/dbraw/zinc/40/82/05/1123408205.db2.gz LPKDXUTVVGBDQY-ZDUSSCGKSA-N 1 2 269.747 3.724 20 30 CHEDLO C#CCC[N@@H+](CCOC)Cc1cc(Cl)sc1Cl ZINC000852748529 1123414970 /nfs/dbraw/zinc/41/49/70/1123414970.db2.gz CUZDDVLTOQJXEG-UHFFFAOYSA-N 1 2 292.231 3.527 20 30 CHEDLO C#CCC[N@H+](CCOC)Cc1cc(Cl)sc1Cl ZINC000852748529 1123414973 /nfs/dbraw/zinc/41/49/73/1123414973.db2.gz CUZDDVLTOQJXEG-UHFFFAOYSA-N 1 2 292.231 3.527 20 30 CHEDLO CCCCCCCC[C@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000854526659 1123488071 /nfs/dbraw/zinc/48/80/71/1123488071.db2.gz MMTMWDDHXSZCBV-HNNXBMFYSA-N 1 2 291.439 3.612 20 30 CHEDLO CCCCCCCC[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000854526660 1123488143 /nfs/dbraw/zinc/48/81/43/1123488143.db2.gz MMTMWDDHXSZCBV-OAHLLOKOSA-N 1 2 291.439 3.612 20 30 CHEDLO C=CC[C@H]1CC[N@@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895560361 1123492400 /nfs/dbraw/zinc/49/24/00/1123492400.db2.gz ROYVSMVEVFFROZ-VIFPVBQESA-N 1 2 276.327 3.560 20 30 CHEDLO C=CC[C@H]1CC[N@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895560361 1123492403 /nfs/dbraw/zinc/49/24/03/1123492403.db2.gz ROYVSMVEVFFROZ-VIFPVBQESA-N 1 2 276.327 3.560 20 30 CHEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000185790860 1123613785 /nfs/dbraw/zinc/61/37/85/1123613785.db2.gz ZRUADICHYVMEBN-CABCVRRESA-N 1 2 284.407 3.566 20 30 CHEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000185790808 1123614329 /nfs/dbraw/zinc/61/43/29/1123614329.db2.gz ZRUADICHYVMEBN-LSDHHAIUSA-N 1 2 284.407 3.566 20 30 CHEDLO CC(C)O[C@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308096 1123642352 /nfs/dbraw/zinc/64/23/52/1123642352.db2.gz YJYPGPCOYQPBOT-CRAIPNDOSA-N 1 2 286.419 3.777 20 30 CHEDLO CC(C)O[C@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308096 1123642354 /nfs/dbraw/zinc/64/23/54/1123642354.db2.gz YJYPGPCOYQPBOT-CRAIPNDOSA-N 1 2 286.419 3.777 20 30 CHEDLO CC(C)[N@H+](Cc1ccco1)Cc1cn2ccccc2c1C#N ZINC000346351901 1123680830 /nfs/dbraw/zinc/68/08/30/1123680830.db2.gz XPBQXJZQDGOCME-UHFFFAOYSA-N 1 2 293.370 3.815 20 30 CHEDLO CC(C)[N@@H+](Cc1ccco1)Cc1cn2ccccc2c1C#N ZINC000346351901 1123680831 /nfs/dbraw/zinc/68/08/31/1123680831.db2.gz XPBQXJZQDGOCME-UHFFFAOYSA-N 1 2 293.370 3.815 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C2CCC2)no1 ZINC000639461277 1123721949 /nfs/dbraw/zinc/72/19/49/1123721949.db2.gz QMZWVUZTDQXSLD-UHFFFAOYSA-N 1 2 297.402 3.568 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C2CCC2)no1 ZINC000639461277 1123721955 /nfs/dbraw/zinc/72/19/55/1123721955.db2.gz QMZWVUZTDQXSLD-UHFFFAOYSA-N 1 2 297.402 3.568 20 30 CHEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1F ZINC000428341290 1123862925 /nfs/dbraw/zinc/86/29/25/1123862925.db2.gz NPYCSDNWRLYICK-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO C[C@@H]1COCC[C@@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000794677964 1123926841 /nfs/dbraw/zinc/92/68/41/1123926841.db2.gz YSMWDGKRTOJUQA-INKZYSQNSA-N 1 2 283.371 3.637 20 30 CHEDLO CC(C)(C)Oc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000865291705 1123970614 /nfs/dbraw/zinc/97/06/14/1123970614.db2.gz PFRMWOPFQMSGGP-UHFFFAOYSA-N 1 2 295.386 3.937 20 30 CHEDLO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866235694 1124039238 /nfs/dbraw/zinc/03/92/38/1124039238.db2.gz JURDSVHLCDCRPN-ZDUSSCGKSA-N 1 2 296.370 3.513 20 30 CHEDLO C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1cccc(C#N)c1O ZINC000866373476 1124059303 /nfs/dbraw/zinc/05/93/03/1124059303.db2.gz NYCTZNHCQJBOON-ZBOXLXRLSA-N 1 2 294.345 3.738 20 30 CHEDLO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866399138 1124062018 /nfs/dbraw/zinc/06/20/18/1124062018.db2.gz SMNSDCFSJKPEBA-LLVKDONJSA-N 1 2 296.361 3.986 20 30 CHEDLO N#Cc1cc(C(F)(F)F)ccc1-c1[nH+]ccc2c1CCN2 ZINC001238838545 1131254084 /nfs/dbraw/zinc/25/40/84/1131254084.db2.gz RQESKPKHADUGQH-UHFFFAOYSA-N 1 2 289.260 3.607 20 30 CHEDLO Cc1ccc(C)c2c1OC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC001119598170 1131258989 /nfs/dbraw/zinc/25/89/89/1131258989.db2.gz WQNBRNXINBOSER-VGOFMYFVSA-N 1 2 296.370 3.740 20 30 CHEDLO CCCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC000871862371 1124649222 /nfs/dbraw/zinc/64/92/22/1124649222.db2.gz BOJUBLCBCYUYDB-UHFFFAOYSA-N 1 2 295.386 3.857 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000449258591 1124677734 /nfs/dbraw/zinc/67/77/34/1124677734.db2.gz QEVQTKLDIJDHST-UHFFFAOYSA-N 1 2 295.386 3.947 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCC(C)C ZINC000449244464 1124679166 /nfs/dbraw/zinc/67/91/66/1124679166.db2.gz SQWCSKQENZUEFZ-HNNXBMFYSA-N 1 2 260.381 3.503 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000877367016 1125024930 /nfs/dbraw/zinc/02/49/30/1125024930.db2.gz YQJAOCATPNKFIC-JTQLQIEISA-N 1 2 290.260 3.506 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000877957810 1125105698 /nfs/dbraw/zinc/10/56/98/1125105698.db2.gz DEVAFHUJPKVFPA-ZDUSSCGKSA-N 1 2 292.810 3.649 20 30 CHEDLO CC1(C)C[C@H](C[N@H+](CCC#N)Cc2ccco2)C(C)(C)O1 ZINC000878159005 1125126227 /nfs/dbraw/zinc/12/62/27/1125126227.db2.gz APEFZIXOWLOBGP-CQSZACIVSA-N 1 2 290.407 3.589 20 30 CHEDLO CC1(C)C[C@H](C[N@@H+](CCC#N)Cc2ccco2)C(C)(C)O1 ZINC000878159005 1125126231 /nfs/dbraw/zinc/12/62/31/1125126231.db2.gz APEFZIXOWLOBGP-CQSZACIVSA-N 1 2 290.407 3.589 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(C(F)F)cc2)c1 ZINC000530474424 1125155636 /nfs/dbraw/zinc/15/56/36/1125155636.db2.gz KTVLIWJWGDGNEB-UHFFFAOYSA-N 1 2 273.286 3.697 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc2ccc(Cl)cc2n1 ZINC000878700017 1125173367 /nfs/dbraw/zinc/17/33/67/1125173367.db2.gz ZXSDINLUWHCQBU-CYBMUJFWSA-N 1 2 273.767 3.670 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc2ccc(Cl)cc2n1 ZINC000878700018 1125174037 /nfs/dbraw/zinc/17/40/37/1125174037.db2.gz ZXSDINLUWHCQBU-ZDUSSCGKSA-N 1 2 273.767 3.670 20 30 CHEDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc(F)ccc1C#N ZINC000532345624 1125250405 /nfs/dbraw/zinc/25/04/05/1125250405.db2.gz QXRRUWJOISNLHS-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(F)ccc1C#N ZINC000532345624 1125250409 /nfs/dbraw/zinc/25/04/09/1125250409.db2.gz QXRRUWJOISNLHS-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccccc1C#N ZINC000016420985 1125364885 /nfs/dbraw/zinc/36/48/85/1125364885.db2.gz ACMZNFHGTYQAGO-LBPRGKRZSA-N 1 2 268.385 3.739 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1C#N ZINC000016420985 1125364889 /nfs/dbraw/zinc/36/48/89/1125364889.db2.gz ACMZNFHGTYQAGO-LBPRGKRZSA-N 1 2 268.385 3.739 20 30 CHEDLO CC(C)n1c[nH+]cc1CNc1ccc(C2CC2)c(C#N)c1 ZINC000883339140 1125397799 /nfs/dbraw/zinc/39/77/99/1125397799.db2.gz NYIDALYRVRNOAN-UHFFFAOYSA-N 1 2 280.375 3.825 20 30 CHEDLO CCSCc1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC000883378127 1125404700 /nfs/dbraw/zinc/40/47/00/1125404700.db2.gz ZMIDJXINQNSURH-UHFFFAOYSA-N 1 2 289.429 3.880 20 30 CHEDLO C=C(Br)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000733841679 1129271151 /nfs/dbraw/zinc/27/11/51/1129271151.db2.gz HSUMTPUDKVJKGG-UHFFFAOYSA-N 1 2 298.199 3.741 20 30 CHEDLO C=C(Br)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000733841679 1129271154 /nfs/dbraw/zinc/27/11/54/1129271154.db2.gz HSUMTPUDKVJKGG-UHFFFAOYSA-N 1 2 298.199 3.741 20 30 CHEDLO C=CCCC[N@@H+](C)Cn1nc(-c2cccs2)oc1=S ZINC000736582028 1129376949 /nfs/dbraw/zinc/37/69/49/1129376949.db2.gz FVMPCERHTNWCSW-UHFFFAOYSA-N 1 2 295.433 3.790 20 30 CHEDLO C=CCCC[N@H+](C)Cn1nc(-c2cccs2)oc1=S ZINC000736582028 1129376951 /nfs/dbraw/zinc/37/69/51/1129376951.db2.gz FVMPCERHTNWCSW-UHFFFAOYSA-N 1 2 295.433 3.790 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cn1sc2ccccc2c1=O ZINC000739886236 1129408151 /nfs/dbraw/zinc/40/81/51/1129408151.db2.gz YWLFUYFXLDQPHY-UHFFFAOYSA-N 1 2 290.432 3.699 20 30 CHEDLO C=CCCCCC[N@H+](C)Cn1sc2ccccc2c1=O ZINC000739886236 1129408153 /nfs/dbraw/zinc/40/81/53/1129408153.db2.gz YWLFUYFXLDQPHY-UHFFFAOYSA-N 1 2 290.432 3.699 20 30 CHEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000795934784 1129458124 /nfs/dbraw/zinc/45/81/24/1129458124.db2.gz ZITSTYRTKVOKPT-UHFFFAOYSA-N 1 2 270.401 3.574 20 30 CHEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000795934784 1129458127 /nfs/dbraw/zinc/45/81/27/1129458127.db2.gz ZITSTYRTKVOKPT-UHFFFAOYSA-N 1 2 270.401 3.574 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nc2ccccc2s1 ZINC000742370914 1129474736 /nfs/dbraw/zinc/47/47/36/1129474736.db2.gz ALCMJWFTDKKHPC-JTQLQIEISA-N 1 2 283.356 3.612 20 30 CHEDLO CCC(CC)(C/[NH+]=C\c1ccccc1O)SC ZINC000743044656 1129511167 /nfs/dbraw/zinc/51/11/67/1129511167.db2.gz NVTGPVQVSMSCGJ-GDNBJRDFSA-N 1 2 251.395 3.733 20 30 CHEDLO COc1ccc([N@H+](CCCSCC#N)CC(C)C)cc1 ZINC000745983704 1129621746 /nfs/dbraw/zinc/62/17/46/1129621746.db2.gz FCXCXYLVVWZLTF-UHFFFAOYSA-N 1 2 292.448 3.804 20 30 CHEDLO COc1ccc([N@@H+](CCCSCC#N)CC(C)C)cc1 ZINC000745983704 1129621748 /nfs/dbraw/zinc/62/17/48/1129621748.db2.gz FCXCXYLVVWZLTF-UHFFFAOYSA-N 1 2 292.448 3.804 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2ccccn2)nc1 ZINC000822634515 1131393611 /nfs/dbraw/zinc/39/36/11/1131393611.db2.gz HPRSKRXTYQZYDT-UHFFFAOYSA-N 1 2 294.402 3.515 20 30 CHEDLO COc1cc(Cl)ccc1C[N@H+](CCC#N)CC(C)C ZINC000796445466 1129727252 /nfs/dbraw/zinc/72/72/52/1129727252.db2.gz LPWDRPXQBKHWSH-UHFFFAOYSA-N 1 2 280.799 3.720 20 30 CHEDLO COc1cc(Cl)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000796445466 1129727256 /nfs/dbraw/zinc/72/72/56/1129727256.db2.gz LPWDRPXQBKHWSH-UHFFFAOYSA-N 1 2 280.799 3.720 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)nc1 ZINC000822634515 1131393616 /nfs/dbraw/zinc/39/36/16/1131393616.db2.gz HPRSKRXTYQZYDT-UHFFFAOYSA-N 1 2 294.402 3.515 20 30 CHEDLO Cc1cc(CNc2ccc([NH+](C)C)c(C)c2)ccc1C#N ZINC000767685353 1129808554 /nfs/dbraw/zinc/80/85/54/1129808554.db2.gz IEKFYGYVLWSWRV-UHFFFAOYSA-N 1 2 279.387 3.853 20 30 CHEDLO C=CCC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000381047113 1129834350 /nfs/dbraw/zinc/83/43/50/1129834350.db2.gz DMNWYPMWKNPPMD-SNVBAGLBSA-N 1 2 284.197 3.599 20 30 CHEDLO CC(C)Cc1ncc(C[N@@H+](CCC#N)CC(C)C)s1 ZINC000768153898 1129836892 /nfs/dbraw/zinc/83/68/92/1129836892.db2.gz OWYSIGAJIGXCNU-UHFFFAOYSA-N 1 2 279.453 3.713 20 30 CHEDLO CC(C)Cc1ncc(C[N@H+](CCC#N)CC(C)C)s1 ZINC000768153898 1129836895 /nfs/dbraw/zinc/83/68/95/1129836895.db2.gz OWYSIGAJIGXCNU-UHFFFAOYSA-N 1 2 279.453 3.713 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc(C)c1F ZINC000769608590 1129919290 /nfs/dbraw/zinc/91/92/90/1129919290.db2.gz DKNWENVUGMKUTL-VOTSOKGWSA-N 1 2 294.329 3.986 20 30 CHEDLO Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc3[nH+]ccn31)O2 ZINC000769609447 1129919309 /nfs/dbraw/zinc/91/93/09/1129919309.db2.gz JNXOFSDQJPPLSC-YBEGLDIGSA-N 1 2 290.322 3.567 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1C ZINC000901418120 1129923080 /nfs/dbraw/zinc/92/30/80/1129923080.db2.gz YKWDAFPRUAXHPV-BQYQJAHWSA-N 1 2 268.360 3.977 20 30 CHEDLO C=CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000801517053 1129923312 /nfs/dbraw/zinc/92/33/12/1129923312.db2.gz JTOOGRBXQFSMMJ-UHFFFAOYSA-N 1 2 271.191 3.786 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cc2c(s1)CCC2 ZINC000901486282 1129929687 /nfs/dbraw/zinc/92/96/87/1129929687.db2.gz ZOSXTTBNWGREGC-SREVYHEPSA-N 1 2 286.400 3.910 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 ZINC000901488825 1129930344 /nfs/dbraw/zinc/93/03/44/1129930344.db2.gz INUCIBBWFXUNCX-BRYYZUPOSA-N 1 2 278.355 3.603 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000769962309 1129931830 /nfs/dbraw/zinc/93/18/30/1129931830.db2.gz WTCHPUBQICTFDB-NSHDSACASA-N 1 2 272.779 3.650 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000769962309 1129931834 /nfs/dbraw/zinc/93/18/34/1129931834.db2.gz WTCHPUBQICTFDB-NSHDSACASA-N 1 2 272.779 3.650 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C[C@H](C)c2ccsc2C1=O ZINC000901518562 1129933566 /nfs/dbraw/zinc/93/35/66/1129933566.db2.gz MDHUSMRDZLMAKL-VUBLIPMDSA-N 1 2 272.373 3.738 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000769977287 1129933976 /nfs/dbraw/zinc/93/39/76/1129933976.db2.gz DVUXVIAYZRJYIT-LLVKDONJSA-N 1 2 290.819 3.917 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000769977287 1129933978 /nfs/dbraw/zinc/93/39/78/1129933978.db2.gz DVUXVIAYZRJYIT-LLVKDONJSA-N 1 2 290.819 3.917 20 30 CHEDLO C=CCCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000770668759 1129954128 /nfs/dbraw/zinc/95/41/28/1129954128.db2.gz PXTMVSWUCYQCHV-UHFFFAOYSA-N 1 2 257.736 3.631 20 30 CHEDLO C(=NNc1cccc2ccccc21)c1cccc2[nH+]ccn21 ZINC000771101255 1129972198 /nfs/dbraw/zinc/97/21/98/1129972198.db2.gz RHCUPCLMIRKWJQ-UHFFFAOYSA-N 1 2 286.338 3.934 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(C#N)ccn1 ZINC000902757147 1130053194 /nfs/dbraw/zinc/05/31/94/1130053194.db2.gz OYANQNRHCSYBTH-QWRGUYRKSA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1cc(C#N)ccn1 ZINC000902899068 1130080097 /nfs/dbraw/zinc/08/00/97/1130080097.db2.gz BQZWBZFCOMFUAJ-AWEZNQCLSA-N 1 2 292.386 3.727 20 30 CHEDLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1cc(C#N)ccn1 ZINC000902899069 1130080250 /nfs/dbraw/zinc/08/02/50/1130080250.db2.gz BQZWBZFCOMFUAJ-CQSZACIVSA-N 1 2 292.386 3.727 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1sccc1Br ZINC000903032824 1130103158 /nfs/dbraw/zinc/10/31/58/1130103158.db2.gz ZDMOCLZTZZXFGJ-VIFPVBQESA-N 1 2 299.237 3.855 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1F)c1cc(C#N)ccn1 ZINC000903093559 1130111027 /nfs/dbraw/zinc/11/10/27/1130111027.db2.gz IWBDQIRJAFLRCN-IWEFOYFVSA-N 1 2 295.361 3.629 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000903105628 1130113407 /nfs/dbraw/zinc/11/34/07/1130113407.db2.gz GJUBSEGZZQZYSQ-GFCCVEGCSA-N 1 2 281.186 3.874 20 30 CHEDLO N#Cc1c(F)cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1F ZINC001239931349 1130156625 /nfs/dbraw/zinc/15/66/25/1130156625.db2.gz IRFKMSOODPWCPM-UHFFFAOYSA-N 1 2 299.255 3.828 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788320514 1130182291 /nfs/dbraw/zinc/18/22/91/1130182291.db2.gz OHTDMBUKJLIUJF-IEOAWGNMSA-N 1 2 294.398 3.728 20 30 CHEDLO C#CCC1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCCC1 ZINC000788443853 1130186801 /nfs/dbraw/zinc/18/68/01/1130186801.db2.gz VSCDNOSWWFZCNY-UHFFFAOYSA-N 1 2 295.386 3.555 20 30 CHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)on2)c1 ZINC000788642010 1130198991 /nfs/dbraw/zinc/19/89/91/1130198991.db2.gz GQYZPQJBAXYRBS-DZGCQCFKSA-N 1 2 299.374 3.515 20 30 CHEDLO N#Cc1c(-c2ccccc2)ccnc1-c1ccc2[nH+]ccn2c1 ZINC001240213421 1130232597 /nfs/dbraw/zinc/23/25/97/1130232597.db2.gz AESOQIWKQHWONX-UHFFFAOYSA-N 1 2 296.333 3.935 20 30 CHEDLO N#CC1(c2ccccc2-c2ccc3[nH+]ccn3c2)CCC1 ZINC001240218644 1130237448 /nfs/dbraw/zinc/23/74/48/1130237448.db2.gz HMQPTWDAGXTOLR-UHFFFAOYSA-N 1 2 273.339 3.947 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(F)cc3)n21 ZINC000748994588 1130257828 /nfs/dbraw/zinc/25/78/28/1130257828.db2.gz PABYJERDCRZLHI-KTKRTIGZSA-N 1 2 280.302 3.678 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/C[C@@H]1CCSC1 ZINC000790598242 1130320880 /nfs/dbraw/zinc/32/08/80/1130320880.db2.gz KPQOQTKGVHOGMF-VAKHEIKFSA-N 1 2 271.385 3.717 20 30 CHEDLO CC(C)(C#N)c1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001240510340 1130335246 /nfs/dbraw/zinc/33/52/46/1130335246.db2.gz IGYIIKVEAOIPQC-UHFFFAOYSA-N 1 2 261.328 3.802 20 30 CHEDLO C(#Cc1ccccc1)CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001170424116 1130513700 /nfs/dbraw/zinc/51/37/00/1130513700.db2.gz PXCXBWFXKRWNPK-UHFFFAOYSA-N 1 2 285.350 3.607 20 30 CHEDLO CC[C@@H](C)CON=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000793146007 1130524831 /nfs/dbraw/zinc/52/48/31/1130524831.db2.gz NVDWRODLRPMDOR-CYBMUJFWSA-N 1 2 271.364 3.659 20 30 CHEDLO COc1cccc2c(NCC#Cc3ccccc3)cc[nH+]c12 ZINC001170429779 1130542540 /nfs/dbraw/zinc/54/25/40/1130542540.db2.gz OMXKSTUQPLOOCY-UHFFFAOYSA-N 1 2 288.350 3.707 20 30 CHEDLO O=C1c2c(cccc2Cl)O/C1=C\c1cccc2[nH+]ccn21 ZINC000811699830 1130640403 /nfs/dbraw/zinc/64/04/03/1130640403.db2.gz XPLXRUWSZQSRCJ-LCYFTJDESA-N 1 2 296.713 3.604 20 30 CHEDLO Cc1cccc2c1CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000759338545 1130651895 /nfs/dbraw/zinc/65/18/95/1130651895.db2.gz JJNBFCCDNIGKGY-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000759338545 1130651900 /nfs/dbraw/zinc/65/19/00/1130651900.db2.gz JJNBFCCDNIGKGY-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ncn(C)c1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001235542029 1130753324 /nfs/dbraw/zinc/75/33/24/1130753324.db2.gz FQVRBUHGIVLRNZ-UHFFFAOYSA-N 1 2 288.439 3.557 20 30 CHEDLO Cc1ncn(C)c1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001235542029 1130753329 /nfs/dbraw/zinc/75/33/29/1130753329.db2.gz FQVRBUHGIVLRNZ-UHFFFAOYSA-N 1 2 288.439 3.557 20 30 CHEDLO CC(=[NH+]Nc1cc(C)ccc1F)c1cc(F)c(N)c(F)c1 ZINC000814872800 1130927966 /nfs/dbraw/zinc/92/79/66/1130927966.db2.gz YTZYNDYSTOUPKL-UHFFFAOYSA-N 1 2 293.292 3.831 20 30 CHEDLO CC(=[NH+]Nc1c(C)cccc1F)c1cc(F)c(N)c(F)c1 ZINC000814905028 1130934130 /nfs/dbraw/zinc/93/41/30/1130934130.db2.gz KWVUJPZXCVKFNO-UHFFFAOYSA-N 1 2 293.292 3.831 20 30 CHEDLO CCC(=[NH+]OC/C=C/Cl)c1ccc(Cl)c(N)c1 ZINC000814933929 1130939012 /nfs/dbraw/zinc/93/90/12/1130939012.db2.gz FLPFJDCTGCAYFC-PWCPDNTMSA-N 1 2 273.163 3.805 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(OCC#N)cc2)c1 ZINC001212608282 1131001656 /nfs/dbraw/zinc/00/16/56/1131001656.db2.gz YWPWGOYITHVJES-UHFFFAOYSA-N 1 2 267.332 3.680 20 30 CHEDLO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000815637059 1131014057 /nfs/dbraw/zinc/01/40/57/1131014057.db2.gz LCWYJXVNXIXLDX-SNVBAGLBSA-N 1 2 269.335 3.923 20 30 CHEDLO COc1cccc(/C=[NH+]\CCCCc2ccccc2)c1O ZINC000798068550 1131023442 /nfs/dbraw/zinc/02/34/42/1131023442.db2.gz PLDANVNUWBPRTG-RGEXLXHISA-N 1 2 283.371 3.843 20 30 CHEDLO Cc1c(F)c(F)ccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001237153560 1131059391 /nfs/dbraw/zinc/05/93/91/1131059391.db2.gz IMJYYKIKMBZJSX-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1c(F)c(F)ccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001237153560 1131059394 /nfs/dbraw/zinc/05/93/94/1131059394.db2.gz IMJYYKIKMBZJSX-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001237153978 1131059705 /nfs/dbraw/zinc/05/97/05/1131059705.db2.gz NBHHTWQLTAIXEN-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001237153978 1131059709 /nfs/dbraw/zinc/05/97/09/1131059709.db2.gz NBHHTWQLTAIXEN-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001237153979 1131060531 /nfs/dbraw/zinc/06/05/31/1131060531.db2.gz NBHHTWQLTAIXEN-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001237153979 1131060535 /nfs/dbraw/zinc/06/05/35/1131060535.db2.gz NBHHTWQLTAIXEN-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C#CC[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1F ZINC001238496362 1131208968 /nfs/dbraw/zinc/20/89/68/1131208968.db2.gz UVZHQBAKDAODMR-UHFFFAOYSA-N 1 2 279.664 3.563 20 30 CHEDLO C#CC[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1F ZINC001238496362 1131208974 /nfs/dbraw/zinc/20/89/74/1131208974.db2.gz UVZHQBAKDAODMR-UHFFFAOYSA-N 1 2 279.664 3.563 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCC(F)(F)c1ccccn1 ZINC001170907597 1131216335 /nfs/dbraw/zinc/21/63/35/1131216335.db2.gz PYEJDAFZCMDDIT-UHFFFAOYSA-N 1 2 289.329 3.717 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001143717349 1131525951 /nfs/dbraw/zinc/52/59/51/1131525951.db2.gz CXPZWUZEXZWFNJ-TXEJJXNPSA-N 1 2 296.748 3.689 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001143717349 1131525956 /nfs/dbraw/zinc/52/59/56/1131525956.db2.gz CXPZWUZEXZWFNJ-TXEJJXNPSA-N 1 2 296.748 3.689 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(F)c1C ZINC001143763934 1131529623 /nfs/dbraw/zinc/52/96/23/1131529623.db2.gz GFMLROSDZZARSV-UHFFFAOYSA-N 1 2 266.335 3.789 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1C ZINC001143763934 1131529626 /nfs/dbraw/zinc/52/96/26/1131529626.db2.gz GFMLROSDZZARSV-UHFFFAOYSA-N 1 2 266.335 3.789 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001138657364 1131532641 /nfs/dbraw/zinc/53/26/41/1131532641.db2.gz DSVRPJFRFOELBH-UHFFFAOYSA-N 1 2 298.361 3.750 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001138657364 1131532643 /nfs/dbraw/zinc/53/26/43/1131532643.db2.gz DSVRPJFRFOELBH-UHFFFAOYSA-N 1 2 298.361 3.750 20 30 CHEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001138661897 1131533716 /nfs/dbraw/zinc/53/37/16/1131533716.db2.gz ILHCCEKKLKYNAM-IRXDYDNUSA-N 1 2 295.373 3.914 20 30 CHEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001138661897 1131533721 /nfs/dbraw/zinc/53/37/21/1131533721.db2.gz ILHCCEKKLKYNAM-IRXDYDNUSA-N 1 2 295.373 3.914 20 30 CHEDLO Fc1ccc(Cl)c(C[NH+]2CCC(S)CC2)c1F ZINC001143958490 1131559404 /nfs/dbraw/zinc/55/94/04/1131559404.db2.gz FDQQFAUQICCQSE-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO CCCCOc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001138957997 1131564753 /nfs/dbraw/zinc/56/47/53/1131564753.db2.gz QJMUSBDWOOJTTM-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001138957997 1131564757 /nfs/dbraw/zinc/56/47/57/1131564757.db2.gz QJMUSBDWOOJTTM-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001138957092 1131565469 /nfs/dbraw/zinc/56/54/69/1131565469.db2.gz YXOUVOFTGMZWKK-INIZCTEOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001138957092 1131565473 /nfs/dbraw/zinc/56/54/73/1131565473.db2.gz YXOUVOFTGMZWKK-INIZCTEOSA-N 1 2 272.392 3.601 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001139051534 1131576374 /nfs/dbraw/zinc/57/63/74/1131576374.db2.gz RXYSCPJUEXCMMJ-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(Cl)c(C)c1 ZINC001139543937 1131615670 /nfs/dbraw/zinc/61/56/70/1131615670.db2.gz MMEBNUMDPFSFAZ-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(Cl)c(C)c1 ZINC001139543937 1131615673 /nfs/dbraw/zinc/61/56/73/1131615673.db2.gz MMEBNUMDPFSFAZ-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO N#Cc1c(Cl)cccc1C[NH+]1CC2(C1)CCCC2 ZINC001139686931 1131628590 /nfs/dbraw/zinc/62/85/90/1131628590.db2.gz HZMMFRHLVKJUOW-UHFFFAOYSA-N 1 2 260.768 3.588 20 30 CHEDLO CC(C)OC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139690968 1131629247 /nfs/dbraw/zinc/62/92/47/1131629247.db2.gz NBALZCRPUHCLDU-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C=C(C)[C@@H]1CC=C(COC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000845486599 1131636537 /nfs/dbraw/zinc/63/65/37/1131636537.db2.gz XZEZVYVVNXJIFI-GDBMZVCRSA-N 1 2 288.391 3.680 20 30 CHEDLO C#Cc1ccc(C[N@@H+](C)Cc2csc(C(C)C)n2)cc1 ZINC001144576127 1131660719 /nfs/dbraw/zinc/66/07/19/1131660719.db2.gz BCJQGDXLLKKVKK-UHFFFAOYSA-N 1 2 284.428 3.880 20 30 CHEDLO C#Cc1ccc(C[N@H+](C)Cc2csc(C(C)C)n2)cc1 ZINC001144576127 1131660721 /nfs/dbraw/zinc/66/07/21/1131660721.db2.gz BCJQGDXLLKKVKK-UHFFFAOYSA-N 1 2 284.428 3.880 20 30 CHEDLO C=C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000835392014 1131830601 /nfs/dbraw/zinc/83/06/01/1131830601.db2.gz UQNPBTHUEWWTJM-INIZCTEOSA-N 1 2 298.386 3.689 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140756096 1131907573 /nfs/dbraw/zinc/90/75/73/1131907573.db2.gz FJEYJYNZDPUPFR-GFCCVEGCSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140756096 1131907582 /nfs/dbraw/zinc/90/75/82/1131907582.db2.gz FJEYJYNZDPUPFR-GFCCVEGCSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C#N ZINC001229955142 1132136610 /nfs/dbraw/zinc/13/66/10/1132136610.db2.gz XMUBVEJXMRLNNW-AWEZNQCLSA-N 1 2 289.338 3.884 20 30 CHEDLO CCCCCC[C@@H](CCC)[NH2+]C1(C#N)CCOCC1 ZINC001172392189 1132215653 /nfs/dbraw/zinc/21/56/53/1132215653.db2.gz WQCQZCUIXDWKIL-OAHLLOKOSA-N 1 2 266.429 3.788 20 30 CHEDLO C=C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)c1ccccc1 ZINC001230921976 1132229256 /nfs/dbraw/zinc/22/92/56/1132229256.db2.gz WJCSEZITQPNUSX-KRWDZBQOSA-N 1 2 279.339 3.673 20 30 CHEDLO C#C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccccc1 ZINC001231078740 1132253932 /nfs/dbraw/zinc/25/39/32/1132253932.db2.gz DFELEXZMWWHRKH-LJQANCHMSA-N 1 2 288.350 3.840 20 30 CHEDLO COC1(CC/[NH+]=C\c2c(O)ccc3ccccc32)CCC1 ZINC000840707601 1132272509 /nfs/dbraw/zinc/27/25/09/1132272509.db2.gz WUXXYKFXGBDEDJ-UYRXBGFRSA-N 1 2 283.371 3.924 20 30 CHEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)[C@@H](C)O1 ZINC000840712800 1132274175 /nfs/dbraw/zinc/27/41/75/1132274175.db2.gz MEFITFGWQZRWDX-FRUBDDEUSA-N 1 2 283.371 3.778 20 30 CHEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)[C@H](C)O1 ZINC000840712802 1132274614 /nfs/dbraw/zinc/27/46/14/1132274614.db2.gz MEFITFGWQZRWDX-GSAGMSIUSA-N 1 2 283.371 3.778 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001231523335 1132312037 /nfs/dbraw/zinc/31/20/37/1132312037.db2.gz UKBNIOYDYKBJLP-UHFFFAOYSA-N 1 2 298.308 3.537 20 30 CHEDLO CC(C)(C)Oc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001231805194 1132366833 /nfs/dbraw/zinc/36/68/33/1132366833.db2.gz MCNNYNIEKIDFFO-OAHLLOKOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001231805194 1132366837 /nfs/dbraw/zinc/36/68/37/1132366837.db2.gz MCNNYNIEKIDFFO-OAHLLOKOSA-N 1 2 272.392 3.599 20 30 CHEDLO Cc1oc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1C ZINC001212694058 1132374187 /nfs/dbraw/zinc/37/41/87/1132374187.db2.gz HQBPAAKDNRYJNL-UHFFFAOYSA-N 1 2 292.342 3.757 20 30 CHEDLO N#CCc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212698651 1132378232 /nfs/dbraw/zinc/37/82/32/1132378232.db2.gz ZPWHAKXGYJHNBQ-UHFFFAOYSA-N 1 2 288.354 3.741 20 30 CHEDLO N#CCC[N@@H+](Cc1cccc(C(F)(F)F)n1)C1CCCC1 ZINC001232071485 1132419461 /nfs/dbraw/zinc/41/94/61/1132419461.db2.gz BNPHMARBYDMXPC-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1cccc(C(F)(F)F)n1)C1CCCC1 ZINC001232071485 1132419464 /nfs/dbraw/zinc/41/94/64/1132419464.db2.gz BNPHMARBYDMXPC-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO Cc1c(F)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1F ZINC001232419595 1132466879 /nfs/dbraw/zinc/46/68/79/1132466879.db2.gz HREKBLCDYPQLBM-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1c(F)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1F ZINC001232419595 1132466881 /nfs/dbraw/zinc/46/68/81/1132466881.db2.gz HREKBLCDYPQLBM-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CC1(C#N)CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001173584837 1132495956 /nfs/dbraw/zinc/49/59/56/1132495956.db2.gz NJYVZMPEAUFXLO-UHFFFAOYSA-N 1 2 259.397 3.665 20 30 CHEDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678739 1132504551 /nfs/dbraw/zinc/50/45/51/1132504551.db2.gz OABIVTDWHSOXMP-GOSISDBHSA-N 1 2 292.382 3.773 20 30 CHEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678739 1132504560 /nfs/dbraw/zinc/50/45/60/1132504560.db2.gz OABIVTDWHSOXMP-GOSISDBHSA-N 1 2 292.382 3.773 20 30 CHEDLO CCCCC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232675674 1132505596 /nfs/dbraw/zinc/50/55/96/1132505596.db2.gz SWMSLWRUBFRYCM-UHFFFAOYSA-N 1 2 272.392 3.666 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC001232678603 1132506472 /nfs/dbraw/zinc/50/64/72/1132506472.db2.gz JIZSYJFSPHMLKP-QGZVFWFLSA-N 1 2 284.403 3.809 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC001232678603 1132506477 /nfs/dbraw/zinc/50/64/77/1132506477.db2.gz JIZSYJFSPHMLKP-QGZVFWFLSA-N 1 2 284.403 3.809 20 30 CHEDLO CC(C)[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232673388 1132506589 /nfs/dbraw/zinc/50/65/89/1132506589.db2.gz DZTSSBBTWOGEFR-UHFFFAOYSA-N 1 2 280.371 3.674 20 30 CHEDLO CC(C)[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232673388 1132506595 /nfs/dbraw/zinc/50/65/95/1132506595.db2.gz DZTSSBBTWOGEFR-UHFFFAOYSA-N 1 2 280.371 3.674 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232731901 1132510029 /nfs/dbraw/zinc/51/00/29/1132510029.db2.gz MIUDNMUGFLSSJI-UHFFFAOYSA-N 1 2 275.783 3.947 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232731901 1132510036 /nfs/dbraw/zinc/51/00/36/1132510036.db2.gz MIUDNMUGFLSSJI-UHFFFAOYSA-N 1 2 275.783 3.947 20 30 CHEDLO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)Cc2ccccc21 ZINC001143164857 1132512158 /nfs/dbraw/zinc/51/21/58/1132512158.db2.gz PEXVLOQOOVNGON-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)Cc2ccccc21 ZINC001143164857 1132512164 /nfs/dbraw/zinc/51/21/64/1132512164.db2.gz PEXVLOQOOVNGON-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccnc(Cl)c1C ZINC001232752577 1132516491 /nfs/dbraw/zinc/51/64/91/1132516491.db2.gz LLLFUFFSFATQFK-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(Cl)c1C ZINC001232752577 1132516497 /nfs/dbraw/zinc/51/64/97/1132516497.db2.gz LLLFUFFSFATQFK-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NC[C@@H]3CCC(F)(F)C3)c2c1 ZINC001155173049 1132644896 /nfs/dbraw/zinc/64/48/96/1132644896.db2.gz KRVVOFISLMMTAZ-GFCCVEGCSA-N 1 2 287.313 3.954 20 30 CHEDLO Cc1nc(NC(=[NH2+])C(C)(C)C)c(C#N)c(C)c1Cl ZINC001155175745 1132645473 /nfs/dbraw/zinc/64/54/73/1132645473.db2.gz IXARIUHQNRDFQI-UHFFFAOYSA-N 1 2 264.760 3.659 20 30 CHEDLO Cc1nc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)ccc1F ZINC001155846172 1132666731 /nfs/dbraw/zinc/66/67/31/1132666731.db2.gz LAEYZAZRQHCXHO-UHFFFAOYSA-N 1 2 297.255 3.585 20 30 CHEDLO Cc1cc(NCc2ccccc2C#N)nc(C(C)(C)C)[nH+]1 ZINC001156791054 1132710351 /nfs/dbraw/zinc/71/03/51/1132710351.db2.gz MKCIDWNPUZRIPM-UHFFFAOYSA-N 1 2 280.375 3.566 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(Cl)c(C#N)c2)[nH+]1 ZINC001174400853 1132815583 /nfs/dbraw/zinc/81/55/83/1132815583.db2.gz UCWROOPIDFVAFY-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3cc(C#N)ccn3)ccc21 ZINC001174380643 1132829093 /nfs/dbraw/zinc/82/90/93/1132829093.db2.gz HGQWVFLGEPFQSO-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1cccc(N)c1 ZINC001159638560 1132880416 /nfs/dbraw/zinc/88/04/16/1132880416.db2.gz MRKMTABHFXQUOO-LBPRGKRZSA-N 1 2 288.354 3.862 20 30 CHEDLO Cc1cccc(C#N)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522798 1132912685 /nfs/dbraw/zinc/91/26/85/1132912685.db2.gz CMJBMJSUKLRWAC-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1ccc(OCCNc2cc3ccccc3c[nH+]2)cc1 ZINC001160281327 1132957054 /nfs/dbraw/zinc/95/70/54/1132957054.db2.gz SFLFYBTYQYIUKX-UHFFFAOYSA-N 1 2 289.338 3.597 20 30 CHEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(Cl)c1 ZINC001213030582 1132994160 /nfs/dbraw/zinc/99/41/60/1132994160.db2.gz GNGWTKAZNVKQIH-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO CCN(CC)c1ccc(Nc2cc(F)ccc2C#N)c[nH+]1 ZINC001162163057 1133056005 /nfs/dbraw/zinc/05/60/05/1133056005.db2.gz UOLNFWVEXTUNSP-UHFFFAOYSA-N 1 2 284.338 3.682 20 30 CHEDLO C#CCCC1(CCNc2[nH+]c3ccccc3cc2C)N=N1 ZINC001163378275 1133145835 /nfs/dbraw/zinc/14/58/35/1133145835.db2.gz VQNZAQXWXKILCH-UHFFFAOYSA-N 1 2 278.359 3.921 20 30 CHEDLO C#CCCC1(CCNc2ccc3ccc(OC)cc3[nH+]2)N=N1 ZINC001163380250 1133146599 /nfs/dbraw/zinc/14/65/99/1133146599.db2.gz VIDKMEWWTZUIFW-UHFFFAOYSA-N 1 2 294.358 3.621 20 30 CHEDLO Cc1cc[nH+]c2cc(NC3=CC(=O)CCC3)ccc12 ZINC001163458158 1133151280 /nfs/dbraw/zinc/15/12/80/1133151280.db2.gz WHKLZDZIKQMKKY-UHFFFAOYSA-N 1 2 252.317 3.592 20 30 CHEDLO N#CC1(c2cc[nH+]c(NCCSCc3ccco3)c2)CC1 ZINC001164220545 1133208423 /nfs/dbraw/zinc/20/84/23/1133208423.db2.gz SVOVENVGQJDTAH-UHFFFAOYSA-N 1 2 299.399 3.575 20 30 CHEDLO Cc1c[nH+]cc(NC(C)(C)c2ccc(C#N)cc2)c1C ZINC001165752944 1133251042 /nfs/dbraw/zinc/25/10/42/1133251042.db2.gz ONKXTSSEMNNNSK-UHFFFAOYSA-N 1 2 265.360 3.917 20 30 CHEDLO N#CC[C@H]1CCCN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001166740136 1133283342 /nfs/dbraw/zinc/28/33/42/1133283342.db2.gz BFNHCGSDULUPNZ-OAHLLOKOSA-N 1 2 277.371 3.879 20 30 CHEDLO CNc1ccc(Nc2c(F)cc(C#N)cc2Cl)c[nH+]1 ZINC001203460335 1133330926 /nfs/dbraw/zinc/33/09/26/1133330926.db2.gz UITLCQVQEBWLOV-UHFFFAOYSA-N 1 2 276.702 3.531 20 30 CHEDLO C[C@H](CC#N)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001203521889 1133335445 /nfs/dbraw/zinc/33/54/45/1133335445.db2.gz LMRKDEWDRCWCOS-SNVBAGLBSA-N 1 2 291.807 3.855 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1cc(C)c[nH+]c1C ZINC001203663655 1133352196 /nfs/dbraw/zinc/35/21/96/1133352196.db2.gz VMPCCIMMLWUPRH-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO Cc1ncc(C#N)cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717514 1133358826 /nfs/dbraw/zinc/35/88/26/1133358826.db2.gz DSCHBTKCSPVJKY-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204879271 1133495170 /nfs/dbraw/zinc/49/51/70/1133495170.db2.gz FYARDOYFNHUDJU-UHFFFAOYSA-N 1 2 274.261 3.580 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204879271 1133495173 /nfs/dbraw/zinc/49/51/73/1133495173.db2.gz FYARDOYFNHUDJU-UHFFFAOYSA-N 1 2 274.261 3.580 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001205649051 1133598345 /nfs/dbraw/zinc/59/83/45/1133598345.db2.gz ZLQZNGBOMCGXOE-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001205649051 1133598349 /nfs/dbraw/zinc/59/83/49/1133598349.db2.gz ZLQZNGBOMCGXOE-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO Cc1nccc(C[N@H+](CCC#N)C2CCCCCCC2)n1 ZINC001207165985 1133772814 /nfs/dbraw/zinc/77/28/14/1133772814.db2.gz SICXRMZSFSUAIE-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1nccc(C[N@@H+](CCC#N)C2CCCCCCC2)n1 ZINC001207165985 1133772820 /nfs/dbraw/zinc/77/28/20/1133772820.db2.gz SICXRMZSFSUAIE-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO CCCC[N@@H+](CC#N)CC[C@@H](C)CCCC(C)(C)O ZINC001207678226 1133838135 /nfs/dbraw/zinc/83/81/35/1133838135.db2.gz HDFQABIFBDHUDU-HNNXBMFYSA-N 1 2 268.445 3.579 20 30 CHEDLO CCCC[N@H+](CC#N)CC[C@@H](C)CCCC(C)(C)O ZINC001207678226 1133838142 /nfs/dbraw/zinc/83/81/42/1133838142.db2.gz HDFQABIFBDHUDU-HNNXBMFYSA-N 1 2 268.445 3.579 20 30 CHEDLO CCCC[N@@H+](CC#N)CCCCCOCc1ccccc1 ZINC001208812126 1133948092 /nfs/dbraw/zinc/94/80/92/1133948092.db2.gz BEHVZVRYMGWKSU-UHFFFAOYSA-N 1 2 288.435 3.999 20 30 CHEDLO CCCC[N@H+](CC#N)CCCCCOCc1ccccc1 ZINC001208812126 1133948101 /nfs/dbraw/zinc/94/81/01/1133948101.db2.gz BEHVZVRYMGWKSU-UHFFFAOYSA-N 1 2 288.435 3.999 20 30 CHEDLO N#Cc1cccc(CCC[N@H+]2CCC[C@@H](F)C(F)(F)C2)c1 ZINC001208843889 1133952172 /nfs/dbraw/zinc/95/21/72/1133952172.db2.gz AJKASFJNUDSXMI-OAHLLOKOSA-N 1 2 296.336 3.560 20 30 CHEDLO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H](F)C(F)(F)C2)c1 ZINC001208843889 1133952177 /nfs/dbraw/zinc/95/21/77/1133952177.db2.gz AJKASFJNUDSXMI-OAHLLOKOSA-N 1 2 296.336 3.560 20 30 CHEDLO N#Cc1ccc(CCC[N@H+]2CCC[C@H](F)C(F)(F)C2)cc1 ZINC001208860031 1133955253 /nfs/dbraw/zinc/95/52/53/1133955253.db2.gz FSBCELARNLXWCX-HNNXBMFYSA-N 1 2 296.336 3.560 20 30 CHEDLO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](F)C(F)(F)C2)cc1 ZINC001208860031 1133955256 /nfs/dbraw/zinc/95/52/56/1133955256.db2.gz FSBCELARNLXWCX-HNNXBMFYSA-N 1 2 296.336 3.560 20 30 CHEDLO Cc1cc(Cl)nc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209848820 1134084957 /nfs/dbraw/zinc/08/49/57/1134084957.db2.gz RMWZIAXPQKXEMZ-UHFFFAOYSA-N 1 2 283.722 3.535 20 30 CHEDLO COc1ccc(Nc2ccc([NH+](C)C)c(C)c2)c(C#N)c1 ZINC001210041322 1134131463 /nfs/dbraw/zinc/13/14/63/1134131463.db2.gz LMIPEMMNTOPNFZ-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO COc1cccc(Nc2cccc3cc[nH+]cc32)c1C#N ZINC001210123202 1134152794 /nfs/dbraw/zinc/15/27/94/1134152794.db2.gz BEBOAWSSLPJQGO-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1[nH+]cccc1N1CCCCC1 ZINC001210374399 1134201958 /nfs/dbraw/zinc/20/19/58/1134201958.db2.gz KVHXPUKMMUDTMS-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001210501266 1134231384 /nfs/dbraw/zinc/23/13/84/1134231384.db2.gz SOMIRDSUBDNELE-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1c[nH+]c(Nc2cc(Cl)cc(C#N)c2)c(C)c1 ZINC001210537283 1134241707 /nfs/dbraw/zinc/24/17/07/1134241707.db2.gz UUFZZXMLDAUWMO-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)c(C#N)c1 ZINC001210563673 1134248821 /nfs/dbraw/zinc/24/88/21/1134248821.db2.gz QVJFNYVJVQIJFD-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1ccc(Cl)nc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086262 1134424765 /nfs/dbraw/zinc/42/47/65/1134424765.db2.gz LACGDRSYICTUAR-UHFFFAOYSA-N 1 2 295.733 3.740 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(N3CCCC3)c(C#N)c2)c[nH+]1 ZINC001213518223 1134459027 /nfs/dbraw/zinc/45/90/27/1134459027.db2.gz BQNUWKGAELYVQB-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO Cc1cc(C)c(Nc2c(F)cc(F)cc2C#N)c[nH+]1 ZINC001213518199 1134459384 /nfs/dbraw/zinc/45/93/84/1134459384.db2.gz AGMDXBDIJNGOAT-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO COc1ccc(Nc2cccc(C3CCC3)[nH+]2)cc1C#N ZINC001214998875 1134592155 /nfs/dbraw/zinc/59/21/55/1134592155.db2.gz MAOHZVPUMVYYKN-UHFFFAOYSA-N 1 2 279.343 3.973 20 30 CHEDLO Cc1c(C#N)cccc1Nc1[nH+]cccc1N1CCCC1 ZINC001216176609 1134795678 /nfs/dbraw/zinc/79/56/78/1134795678.db2.gz YZNPRTSAFRURHX-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C#Cc1cccc(N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC001219009459 1135125037 /nfs/dbraw/zinc/12/50/37/1135125037.db2.gz AJYNZJRWQXRWRN-UHFFFAOYSA-N 1 2 293.370 3.656 20 30 CHEDLO C[Si](C)(C)C#C[C@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC001222135142 1135198833 /nfs/dbraw/zinc/19/88/33/1135198833.db2.gz WKULZXDNSVORJH-KRWDZBQOSA-N 1 2 298.462 3.522 20 30 CHEDLO Cc1cc(C#N)cc(C)c1-c1cc[nH+]c(N2CCCC2)c1 ZINC001222655290 1135260954 /nfs/dbraw/zinc/26/09/54/1135260954.db2.gz ORZFOVAXNOSJSI-UHFFFAOYSA-N 1 2 277.371 3.837 20 30 CHEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1F ZINC000352794719 529637091 /nfs/dbraw/zinc/63/70/91/529637091.db2.gz HIHFYPMOAVXOBA-ZDUSSCGKSA-N 1 2 293.342 3.534 20 30 CHEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]ccc2ccc(F)cc21 ZINC000354569579 529983830 /nfs/dbraw/zinc/98/38/30/529983830.db2.gz QDHYHNFHHKGSEH-UHFFFAOYSA-N 1 2 291.329 3.882 20 30 CHEDLO N#CC[N@@H+](CCSc1ccccc1)C1CCCC1 ZINC000084222365 260361797 /nfs/dbraw/zinc/36/17/97/260361797.db2.gz MZVHKRIGTPAUOL-UHFFFAOYSA-N 1 2 260.406 3.547 20 30 CHEDLO N#Cc1c(F)cccc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000341938362 130148462 /nfs/dbraw/zinc/14/84/62/130148462.db2.gz USHNVZYQFXTNAB-UHFFFAOYSA-N 1 2 292.317 3.700 20 30 CHEDLO N#CCc1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000343584153 224803931 /nfs/dbraw/zinc/80/39/31/224803931.db2.gz SMFOEFNMMGUNNK-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000343584153 224803934 /nfs/dbraw/zinc/80/39/34/224803934.db2.gz SMFOEFNMMGUNNK-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CC1(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000347491587 226165923 /nfs/dbraw/zinc/16/59/23/226165923.db2.gz VUJWYZRPLNMAQT-UHFFFAOYSA-N 1 2 272.779 3.733 20 30 CHEDLO N#CC1(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000347491587 226165927 /nfs/dbraw/zinc/16/59/27/226165927.db2.gz VUJWYZRPLNMAQT-UHFFFAOYSA-N 1 2 272.779 3.733 20 30 CHEDLO CCOc1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC000353417275 228099026 /nfs/dbraw/zinc/09/90/26/228099026.db2.gz RMXXIWKETZBNKP-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO CCOc1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC000353417275 228099029 /nfs/dbraw/zinc/09/90/29/228099029.db2.gz RMXXIWKETZBNKP-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO N#CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000037248854 260078637 /nfs/dbraw/zinc/07/86/37/260078637.db2.gz HBDHSSTUTXXOJI-UHFFFAOYSA-N 1 2 283.356 3.560 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000298300465 260149635 /nfs/dbraw/zinc/14/96/35/260149635.db2.gz GJSPLQPNCDDULM-AWEZNQCLSA-N 1 2 285.391 3.942 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(C(C)C)no1 ZINC000298300465 260149636 /nfs/dbraw/zinc/14/96/36/260149636.db2.gz GJSPLQPNCDDULM-AWEZNQCLSA-N 1 2 285.391 3.942 20 30 CHEDLO N#CC[N@H+](CCSc1ccccc1)C1CCCC1 ZINC000084222365 260361796 /nfs/dbraw/zinc/36/17/96/260361796.db2.gz MZVHKRIGTPAUOL-UHFFFAOYSA-N 1 2 260.406 3.547 20 30 CHEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)C(C)(F)F)ccc1OC ZINC000449417717 260542352 /nfs/dbraw/zinc/54/23/52/260542352.db2.gz YZIGXGUUBOMRQW-LBPRGKRZSA-N 1 2 299.361 3.783 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccnn1-c1ccccc1 ZINC000448334160 261117611 /nfs/dbraw/zinc/11/76/11/261117611.db2.gz GXUXJIXMLMQODU-UHFFFAOYSA-N 1 2 296.418 3.634 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccnn1-c1ccccc1 ZINC000448334160 261117612 /nfs/dbraw/zinc/11/76/12/261117612.db2.gz GXUXJIXMLMQODU-UHFFFAOYSA-N 1 2 296.418 3.634 20 30 CHEDLO CC[C@@](C)([NH2+]Cc1ccc(F)cc1C#N)c1nccs1 ZINC000173500259 261164584 /nfs/dbraw/zinc/16/45/84/261164584.db2.gz YUBATZYBSTWAJS-OAHLLOKOSA-N 1 2 289.379 3.569 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000164475088 261353439 /nfs/dbraw/zinc/35/34/39/261353439.db2.gz SLWWKEJEFNSPMW-SNVBAGLBSA-N 1 2 262.740 3.868 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000184083134 262007288 /nfs/dbraw/zinc/00/72/88/262007288.db2.gz AREFPKRQWMLXNB-AWEZNQCLSA-N 1 2 254.333 3.728 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000184089381 262007908 /nfs/dbraw/zinc/00/79/08/262007908.db2.gz YHFTYTNZZJQPDB-OAHLLOKOSA-N 1 2 272.392 3.790 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000184091715 262008469 /nfs/dbraw/zinc/00/84/69/262008469.db2.gz VVLAFFZIOQBBRW-ZDUSSCGKSA-N 1 2 282.334 3.687 20 30 CHEDLO N#CCC[N@H+](CCCCc1ccccc1)Cc1ccccn1 ZINC000187127222 262124818 /nfs/dbraw/zinc/12/48/18/262124818.db2.gz VXAXLCLZWWBPOU-UHFFFAOYSA-N 1 2 293.414 3.820 20 30 CHEDLO N#CCC[N@@H+](CCCCc1ccccc1)Cc1ccccn1 ZINC000187127222 262124819 /nfs/dbraw/zinc/12/48/19/262124819.db2.gz VXAXLCLZWWBPOU-UHFFFAOYSA-N 1 2 293.414 3.820 20 30 CHEDLO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000191065565 262188812 /nfs/dbraw/zinc/18/88/12/262188812.db2.gz IZCNJOMGAMRMRI-SJLPKXTDSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000191065565 262188813 /nfs/dbraw/zinc/18/88/13/262188813.db2.gz IZCNJOMGAMRMRI-SJLPKXTDSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000218965758 262348390 /nfs/dbraw/zinc/34/83/90/262348390.db2.gz SWSBUXFAMKFYCU-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(C)[nH+]c2C)CCCC1 ZINC000410564930 262348457 /nfs/dbraw/zinc/34/84/57/262348457.db2.gz RQZYHHRTABKGEE-UHFFFAOYSA-N 1 2 258.365 3.773 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2csc(Br)c2)CC1 ZINC000272558509 263006862 /nfs/dbraw/zinc/00/68/62/263006862.db2.gz LMVXNPJZYIQNLF-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000274369525 263023581 /nfs/dbraw/zinc/02/35/81/263023581.db2.gz KILCDQJJGZKZJJ-HNNXBMFYSA-N 1 2 291.395 3.608 20 30 CHEDLO Cc1cc(OCCC(C)(C)C#N)c2ccccc2[nH+]1 ZINC000281759765 263071645 /nfs/dbraw/zinc/07/16/45/263071645.db2.gz CNDIASYFDJGULP-UHFFFAOYSA-N 1 2 254.333 3.862 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc(C(C)(C)C)nc1 ZINC000284518943 263087109 /nfs/dbraw/zinc/08/71/09/263087109.db2.gz YXTZAQWEKFHHKJ-UHFFFAOYSA-N 1 2 288.439 3.536 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc(C(C)(C)C)nc1 ZINC000284518943 263087110 /nfs/dbraw/zinc/08/71/10/263087110.db2.gz YXTZAQWEKFHHKJ-UHFFFAOYSA-N 1 2 288.439 3.536 20 30 CHEDLO C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)c2nccn21 ZINC000296662449 263194807 /nfs/dbraw/zinc/19/48/07/263194807.db2.gz FIKJSRQWINHHLY-BMFZPTHFSA-N 1 2 280.375 3.524 20 30 CHEDLO C=CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121505249 263295151 /nfs/dbraw/zinc/29/51/51/263295151.db2.gz LBAUBZSPVSWJSD-SNVBAGLBSA-N 1 2 277.755 3.569 20 30 CHEDLO C=CC[N@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121505249 263295154 /nfs/dbraw/zinc/29/51/54/263295154.db2.gz LBAUBZSPVSWJSD-SNVBAGLBSA-N 1 2 277.755 3.569 20 30 CHEDLO Cc1cc(C)c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c(C)[nH+]1 ZINC000328922009 263902779 /nfs/dbraw/zinc/90/27/79/263902779.db2.gz UEZAISKCRVCAPY-ZANVPECISA-N 1 2 274.364 3.600 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 ZINC000180035545 264389986 /nfs/dbraw/zinc/38/99/86/264389986.db2.gz GGXOTUAAJOEBDD-OAHLLOKOSA-N 1 2 283.375 3.744 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294396526 265014750 /nfs/dbraw/zinc/01/47/50/265014750.db2.gz ZVNYZGWCPGCXHQ-HOCLYGCPSA-N 1 2 297.402 3.560 20 30 CHEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1cccc2ccccc21 ZINC000356056823 266055834 /nfs/dbraw/zinc/05/58/34/266055834.db2.gz DNZHAICOMGOLKC-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1cccc2ccccc21 ZINC000356056823 266055836 /nfs/dbraw/zinc/05/58/36/266055836.db2.gz DNZHAICOMGOLKC-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO CC(C)(CCC#N)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361010188 266768108 /nfs/dbraw/zinc/76/81/08/266768108.db2.gz OPRHFUGWVLFYCG-UHFFFAOYSA-N 1 2 281.403 3.787 20 30 CHEDLO CC(C)(CCC#N)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361010188 266768109 /nfs/dbraw/zinc/76/81/09/266768109.db2.gz OPRHFUGWVLFYCG-UHFFFAOYSA-N 1 2 281.403 3.787 20 30 CHEDLO C=C[C@@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362693835 267036817 /nfs/dbraw/zinc/03/68/17/267036817.db2.gz WVHHYCOLHJZTKB-GFCCVEGCSA-N 1 2 283.331 3.570 20 30 CHEDLO C=CCSc1ccccc1C(=O)Nc1cc[nH+]cc1CC ZINC000362760833 267043633 /nfs/dbraw/zinc/04/36/33/267043633.db2.gz TYIJKOGQVCOIQU-UHFFFAOYSA-N 1 2 298.411 3.596 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1nc2ccc(F)cc2o1 ZINC000119095205 267295970 /nfs/dbraw/zinc/29/59/70/267295970.db2.gz AOINJTDZPSXTEQ-UHFFFAOYSA-N 1 2 289.354 3.729 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1nc2ccc(F)cc2o1 ZINC000119095205 267295973 /nfs/dbraw/zinc/29/59/73/267295973.db2.gz AOINJTDZPSXTEQ-UHFFFAOYSA-N 1 2 289.354 3.729 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1OC(F)(F)F)CC1CC1 ZINC000119103228 267301521 /nfs/dbraw/zinc/30/15/21/267301521.db2.gz JDSMDWHXKYJRKB-UHFFFAOYSA-N 1 2 298.308 3.711 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1OC(F)(F)F)CC1CC1 ZINC000119103228 267301524 /nfs/dbraw/zinc/30/15/24/267301524.db2.gz JDSMDWHXKYJRKB-UHFFFAOYSA-N 1 2 298.308 3.711 20 30 CHEDLO Cc1ccc(C[NH2+]CC2(C#N)CCC2)c(Br)c1 ZINC000418144324 267364981 /nfs/dbraw/zinc/36/49/81/267364981.db2.gz SRMVGWDMQYZXNW-UHFFFAOYSA-N 1 2 293.208 3.541 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(C#N)c1 ZINC000531580246 328016065 /nfs/dbraw/zinc/01/60/65/328016065.db2.gz YRMGTPAENSDEFR-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000531580246 328016066 /nfs/dbraw/zinc/01/60/66/328016066.db2.gz YRMGTPAENSDEFR-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1nc2ccc(CNc3cc(CC#N)cc[nH+]3)cc2s1 ZINC000571378842 328117870 /nfs/dbraw/zinc/11/78/70/328117870.db2.gz BIVDFXQWWGYIGK-UHFFFAOYSA-N 1 2 294.383 3.678 20 30 CHEDLO N#CCCCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000287879735 328252185 /nfs/dbraw/zinc/25/21/85/328252185.db2.gz MZPSIVWAJSJOEV-UHFFFAOYSA-N 1 2 259.740 3.994 20 30 CHEDLO Cn1c2ccc(NC(=O)CCCC#N)cc2[nH+]c1C(C)(C)C ZINC000291937982 328267716 /nfs/dbraw/zinc/26/77/16/328267716.db2.gz PBTNLVRFZHLMQD-UHFFFAOYSA-N 1 2 298.390 3.503 20 30 CHEDLO C=CCC(C)(C)c1noc(-c2ccn3c(C)c[nH+]c3c2)n1 ZINC000583510110 328589135 /nfs/dbraw/zinc/58/91/35/328589135.db2.gz HJIKKQCBMGRQHR-UHFFFAOYSA-N 1 2 282.347 3.546 20 30 CHEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)c(OC(F)F)cc1C ZINC000560569610 327325615 /nfs/dbraw/zinc/32/56/15/327325615.db2.gz NKGJUWRXBSWAOT-UHFFFAOYSA-N 1 2 296.361 3.886 20 30 CHEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)c(OC(F)F)cc1C ZINC000560569610 327325616 /nfs/dbraw/zinc/32/56/16/327325616.db2.gz NKGJUWRXBSWAOT-UHFFFAOYSA-N 1 2 296.361 3.886 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000174460915 329159137 /nfs/dbraw/zinc/15/91/37/329159137.db2.gz OREARRJUEUIZKP-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000174460915 329159138 /nfs/dbraw/zinc/15/91/38/329159138.db2.gz OREARRJUEUIZKP-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1c(C#N)cccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000181453201 329233431 /nfs/dbraw/zinc/23/34/31/329233431.db2.gz BINQIOXZVLBYGS-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO Cc1ccc(COc2ccc(C#N)cc2Cl)c(C)[nH+]1 ZINC000186481870 329343062 /nfs/dbraw/zinc/34/30/62/329343062.db2.gz SEDMCUKAYUPXAV-UHFFFAOYSA-N 1 2 272.735 3.803 20 30 CHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cs1 ZINC000189940246 329390546 /nfs/dbraw/zinc/39/05/46/329390546.db2.gz KJFDNQNDVYVCAV-CQSZACIVSA-N 1 2 289.429 3.722 20 30 CHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cs1 ZINC000189940246 329390548 /nfs/dbraw/zinc/39/05/48/329390548.db2.gz KJFDNQNDVYVCAV-CQSZACIVSA-N 1 2 289.429 3.722 20 30 CHEDLO N#Cc1csc(C[NH2+][C@H](CC(F)F)c2ccccc2)n1 ZINC000420992364 329796339 /nfs/dbraw/zinc/79/63/39/329796339.db2.gz KOSRJKOPINYOMV-GFCCVEGCSA-N 1 2 293.342 3.501 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000266534252 330064015 /nfs/dbraw/zinc/06/40/15/330064015.db2.gz NBXVGXKKXYTFJZ-UHFFFAOYSA-N 1 2 268.360 3.802 20 30 CHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000271533833 330081041 /nfs/dbraw/zinc/08/10/41/330081041.db2.gz XVGFXORMEULQIN-UHFFFAOYSA-N 1 2 299.201 3.582 20 30 CHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000271533833 330081042 /nfs/dbraw/zinc/08/10/42/330081042.db2.gz XVGFXORMEULQIN-UHFFFAOYSA-N 1 2 299.201 3.582 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000271714985 330082661 /nfs/dbraw/zinc/08/26/61/330082661.db2.gz OYTRLEQQRGBPHB-OAHLLOKOSA-N 1 2 282.387 3.826 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000044316237 330327486 /nfs/dbraw/zinc/32/74/86/330327486.db2.gz WTLKHIRVAKEWMM-UHFFFAOYSA-N 1 2 268.282 3.583 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000044316237 330327487 /nfs/dbraw/zinc/32/74/87/330327487.db2.gz WTLKHIRVAKEWMM-UHFFFAOYSA-N 1 2 268.282 3.583 20 30 CHEDLO C=CCCCCCN(C)c1cc[nH+]c2ccncc21 ZINC000444088192 330810012 /nfs/dbraw/zinc/81/00/12/330810012.db2.gz MZAQJRCJJLWNJC-UHFFFAOYSA-N 1 2 255.365 3.812 20 30 CHEDLO N#CC1(C[NH2+]C2(c3ccc(F)cc3F)CCC2)CCC1 ZINC000450679275 330993094 /nfs/dbraw/zinc/99/30/94/330993094.db2.gz JPEJVVSGNJDXFK-UHFFFAOYSA-N 1 2 276.330 3.627 20 30 CHEDLO C=CCC1(c2nc(Cc3ccc(C)[nH+]c3)no2)CCCC1 ZINC000453084628 331087649 /nfs/dbraw/zinc/08/76/49/331087649.db2.gz JTDQJAXUVHZOJK-UHFFFAOYSA-N 1 2 283.375 3.752 20 30 CHEDLO Cc1cc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c(C)o1 ZINC000459415017 331280443 /nfs/dbraw/zinc/28/04/43/331280443.db2.gz ZEEICNOEYXBKAU-LLVKDONJSA-N 1 2 299.330 3.527 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc(Cl)ccc1Br ZINC000463214372 331342539 /nfs/dbraw/zinc/34/25/39/331342539.db2.gz PPVSNQGBFPRMLW-UHFFFAOYSA-N 1 2 274.589 3.720 20 30 CHEDLO C=CC[N@H+](C)Cc1cc(Cl)ccc1Br ZINC000463214372 331342540 /nfs/dbraw/zinc/34/25/40/331342540.db2.gz PPVSNQGBFPRMLW-UHFFFAOYSA-N 1 2 274.589 3.720 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000464648886 331364189 /nfs/dbraw/zinc/36/41/89/331364189.db2.gz LOOGNCXCNHJVSD-CYBMUJFWSA-N 1 2 297.402 3.842 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000464648887 331364278 /nfs/dbraw/zinc/36/42/78/331364278.db2.gz LOOGNCXCNHJVSD-ZDUSSCGKSA-N 1 2 297.402 3.842 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000469792863 331459732 /nfs/dbraw/zinc/45/97/32/331459732.db2.gz XLUYOVYDPBYEGX-INIZCTEOSA-N 1 2 292.304 3.906 20 30 CHEDLO CCCCC/C(=C/c1ccccc1)C[NH+]1CC(O)(CC#N)C1 ZINC000475111982 331615284 /nfs/dbraw/zinc/61/52/84/331615284.db2.gz REOGIGZJKDJDSB-AQTBWJFISA-N 1 2 298.430 3.611 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccc(F)cc1 ZINC000491252897 332174664 /nfs/dbraw/zinc/17/46/64/332174664.db2.gz KDVPUMIPSRZMAK-SFHVURJKSA-N 1 2 297.377 3.601 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1nc(CCC)cs1)c1ccc(F)cc1 ZINC000491278225 332179766 /nfs/dbraw/zinc/17/97/66/332179766.db2.gz SAOMRTBWKUPBQJ-OAHLLOKOSA-N 1 2 288.391 3.699 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000491278707 332180020 /nfs/dbraw/zinc/18/00/20/332180020.db2.gz VINLJYMHXRQQQJ-ZDUSSCGKSA-N 1 2 263.699 3.536 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)c1ccc(F)cc1 ZINC000491616312 332243408 /nfs/dbraw/zinc/24/34/08/332243408.db2.gz ARINUIJEKQGKRX-CQSZACIVSA-N 1 2 288.391 3.870 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)cc1F ZINC000491803230 332357158 /nfs/dbraw/zinc/35/71/58/332357158.db2.gz IUWRHODNJRBGNY-INIZCTEOSA-N 1 2 289.737 3.649 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cscn1)c1ccc(F)c(F)c1 ZINC000187373761 333169850 /nfs/dbraw/zinc/16/98/50/333169850.db2.gz JVOJXQFOBODHHK-CQSZACIVSA-N 1 2 280.343 3.828 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000189058330 333179372 /nfs/dbraw/zinc/17/93/72/333179372.db2.gz ZSVNSLGPVJRWMO-GOSISDBHSA-N 1 2 297.402 3.992 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1C#N ZINC000229956100 333312065 /nfs/dbraw/zinc/31/20/65/333312065.db2.gz MGQIFZAZFUNUCO-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1C#N ZINC000229956100 333312066 /nfs/dbraw/zinc/31/20/66/333312066.db2.gz MGQIFZAZFUNUCO-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO N#CC1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529526691 333493029 /nfs/dbraw/zinc/49/30/29/333493029.db2.gz WYZBUSASXZJMQK-UHFFFAOYSA-N 1 2 274.311 3.502 20 30 CHEDLO C=C(CC)CSCc1[nH+]cc(C)c(OC)c1C ZINC000538524600 333603654 /nfs/dbraw/zinc/60/36/54/333603654.db2.gz FSQXBGOCQDXNDB-UHFFFAOYSA-N 1 2 251.395 3.906 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)o1 ZINC000539466655 333672797 /nfs/dbraw/zinc/67/27/97/333672797.db2.gz OJEMSMITQISQHV-UHFFFAOYSA-N 1 2 281.142 3.748 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc3ccccc3c2)c1 ZINC000546633701 334042198 /nfs/dbraw/zinc/04/21/98/334042198.db2.gz LKBVJKCSNPZMIT-UHFFFAOYSA-N 1 2 273.339 3.913 20 30 CHEDLO CSc1ccc(OCC[N@H+](CC#N)C2CCCC2)cc1 ZINC000075752101 334050332 /nfs/dbraw/zinc/05/03/32/334050332.db2.gz UEEKFZODNWIUET-UHFFFAOYSA-N 1 2 290.432 3.555 20 30 CHEDLO CSc1ccc(OCC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000075752101 334050333 /nfs/dbraw/zinc/05/03/33/334050333.db2.gz UEEKFZODNWIUET-UHFFFAOYSA-N 1 2 290.432 3.555 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2c(F)cccc2Cl)c1 ZINC000547341380 334081281 /nfs/dbraw/zinc/08/12/81/334081281.db2.gz PCRVSYVSTIDQBQ-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000555709285 334487849 /nfs/dbraw/zinc/48/78/49/334487849.db2.gz NMLNFHVMUMJHPX-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000577576515 335372130 /nfs/dbraw/zinc/37/21/30/335372130.db2.gz MFFVLWIDZUNHJB-UHFFFAOYSA-N 1 2 286.762 3.993 20 30 CHEDLO COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H](C)C#N ZINC000581711975 336134577 /nfs/dbraw/zinc/13/45/77/336134577.db2.gz ITFKTFKFPGVODH-AWEZNQCLSA-N 1 2 294.398 3.920 20 30 CHEDLO CCc1cccc(F)c1C[N@H+](CCC#N)CC1CC1 ZINC000353660836 529173699 /nfs/dbraw/zinc/17/36/99/529173699.db2.gz UQOQQGFDVYDBJP-UHFFFAOYSA-N 1 2 260.356 3.514 20 30 CHEDLO CCc1cccc(F)c1C[N@@H+](CCC#N)CC1CC1 ZINC000353660836 529173702 /nfs/dbraw/zinc/17/37/02/529173702.db2.gz UQOQQGFDVYDBJP-UHFFFAOYSA-N 1 2 260.356 3.514 20 30 CHEDLO CCCC[N@H+](CC#N)[C@@H](C)CCc1ccc(C)cc1 ZINC001171681218 1132077533 /nfs/dbraw/zinc/07/75/33/1132077533.db2.gz YZAVDOADVZWOFE-INIZCTEOSA-N 1 2 258.409 3.942 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCc1ccc(C)cc1 ZINC001171681218 1132077541 /nfs/dbraw/zinc/07/75/41/1132077541.db2.gz YZAVDOADVZWOFE-INIZCTEOSA-N 1 2 258.409 3.942 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142115157 1132327696 /nfs/dbraw/zinc/32/76/96/1132327696.db2.gz ZJJSTXPVGKBRRV-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cccc(C(F)(F)F)c1O ZINC001233418370 1132618759 /nfs/dbraw/zinc/61/87/59/1132618759.db2.gz DJYCUKIPSWHAQA-UHFFFAOYSA-N 1 2 286.297 3.537 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cccc(C(F)(F)F)c1O ZINC001233418370 1132618763 /nfs/dbraw/zinc/61/87/63/1132618763.db2.gz DJYCUKIPSWHAQA-UHFFFAOYSA-N 1 2 286.297 3.537 20 30 CHEDLO CCc1nc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cs1 ZINC000348316847 1125541312 /nfs/dbraw/zinc/54/13/12/1125541312.db2.gz IVFXPNZLKCPAHZ-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCc1cscn1 ZINC000134847360 1125567551 /nfs/dbraw/zinc/56/75/51/1125567551.db2.gz FZHRFPLZZHBGHD-RQZCQDPDSA-N 1 2 282.368 3.664 20 30 CHEDLO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](C#N)CCC#N ZINC000073895256 1125640206 /nfs/dbraw/zinc/64/02/06/1125640206.db2.gz HSLCZTMYXPCMOE-LBPRGKRZSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H](C#N)CCC#N ZINC000073895256 1125640209 /nfs/dbraw/zinc/64/02/09/1125640209.db2.gz HSLCZTMYXPCMOE-LBPRGKRZSA-N 1 2 295.308 3.581 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000093090384 1125763745 /nfs/dbraw/zinc/76/37/45/1125763745.db2.gz SYFDBJPFTBPHED-CYBMUJFWSA-N 1 2 254.333 3.681 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000093090384 1125763751 /nfs/dbraw/zinc/76/37/51/1125763751.db2.gz SYFDBJPFTBPHED-CYBMUJFWSA-N 1 2 254.333 3.681 20 30 CHEDLO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000192341048 1125763834 /nfs/dbraw/zinc/76/38/34/1125763834.db2.gz PGQWUNJTFRTZKC-UHFFFAOYSA-N 1 2 289.338 3.503 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000093090537 1125765152 /nfs/dbraw/zinc/76/51/52/1125765152.db2.gz IGBMMVGDVFWPTD-CQSZACIVSA-N 1 2 272.392 3.742 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000093090537 1125765159 /nfs/dbraw/zinc/76/51/59/1125765159.db2.gz IGBMMVGDVFWPTD-CQSZACIVSA-N 1 2 272.392 3.742 20 30 CHEDLO CC(C)(C)OCCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000788784259 1130211835 /nfs/dbraw/zinc/21/18/35/1130211835.db2.gz JHMGZQZSQGOKKM-UHFFFAOYSA-N 1 2 298.814 3.572 20 30 CHEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1SC ZINC000338348440 1126737151 /nfs/dbraw/zinc/73/71/51/1126737151.db2.gz KLURWTSSOKRSBT-LBPRGKRZSA-N 1 2 290.432 3.541 20 30 CHEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1SC ZINC000338348440 1126737155 /nfs/dbraw/zinc/73/71/55/1126737155.db2.gz KLURWTSSOKRSBT-LBPRGKRZSA-N 1 2 290.432 3.541 20 30 CHEDLO C[C@H](C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000176298266 1126789432 /nfs/dbraw/zinc/78/94/32/1126789432.db2.gz AXVZVHKCJKEZGY-OAHLLOKOSA-N 1 2 268.360 3.799 20 30 CHEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000176298266 1126789436 /nfs/dbraw/zinc/78/94/36/1126789436.db2.gz AXVZVHKCJKEZGY-OAHLLOKOSA-N 1 2 268.360 3.799 20 30 CHEDLO CCC(CC)C[N@@H+](CC#Cc1ccccc1)CCC#N ZINC000483941942 1126806689 /nfs/dbraw/zinc/80/66/89/1126806689.db2.gz GTGKJVKDMCQUPB-UHFFFAOYSA-N 1 2 268.404 3.690 20 30 CHEDLO CCC(CC)C[N@H+](CC#Cc1ccccc1)CCC#N ZINC000483941942 1126806691 /nfs/dbraw/zinc/80/66/91/1126806691.db2.gz GTGKJVKDMCQUPB-UHFFFAOYSA-N 1 2 268.404 3.690 20 30 CHEDLO C[C@H]1CCC[C@H](C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360266 1126827048 /nfs/dbraw/zinc/82/70/48/1126827048.db2.gz IGUBHGRGDVNPPZ-HOTGVXAUSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@H]1CCC[C@H](C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360266 1126827052 /nfs/dbraw/zinc/82/70/52/1126827052.db2.gz IGUBHGRGDVNPPZ-HOTGVXAUSA-N 1 2 271.408 3.624 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1Cl ZINC000187941206 1126917947 /nfs/dbraw/zinc/91/79/47/1126917947.db2.gz QFWZEFMUBAKNFT-GFCCVEGCSA-N 1 2 280.799 3.861 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1Cl ZINC000187941206 1126917950 /nfs/dbraw/zinc/91/79/50/1126917950.db2.gz QFWZEFMUBAKNFT-GFCCVEGCSA-N 1 2 280.799 3.861 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccco1 ZINC000348874270 1127132248 /nfs/dbraw/zinc/13/22/48/1127132248.db2.gz HFUBCBZCVXASPS-UHFFFAOYSA-N 1 2 273.380 3.635 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccco1 ZINC000348874270 1127132249 /nfs/dbraw/zinc/13/22/49/1127132249.db2.gz HFUBCBZCVXASPS-UHFFFAOYSA-N 1 2 273.380 3.635 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1occc1C ZINC000348870004 1127132415 /nfs/dbraw/zinc/13/24/15/1127132415.db2.gz RFDNTLLGJTVZIV-UHFFFAOYSA-N 1 2 287.407 3.944 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1occc1C ZINC000348870004 1127132417 /nfs/dbraw/zinc/13/24/17/1127132417.db2.gz RFDNTLLGJTVZIV-UHFFFAOYSA-N 1 2 287.407 3.944 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(F)cc3)n2c1 ZINC000151376011 1127133921 /nfs/dbraw/zinc/13/39/21/1127133921.db2.gz PGOUVSFOEXNQKO-BQYQJAHWSA-N 1 2 280.302 3.678 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccco1 ZINC000285461271 1127229662 /nfs/dbraw/zinc/22/96/62/1127229662.db2.gz AHLLQNWUYBEUAV-GFCCVEGCSA-N 1 2 262.378 3.842 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590640881 1127266521 /nfs/dbraw/zinc/26/65/21/1127266521.db2.gz ZGZDUOAPDONBBH-SNVBAGLBSA-N 1 2 289.766 3.605 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590640881 1127266522 /nfs/dbraw/zinc/26/65/22/1127266522.db2.gz ZGZDUOAPDONBBH-SNVBAGLBSA-N 1 2 289.766 3.605 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000354032914 1127287355 /nfs/dbraw/zinc/28/73/55/1127287355.db2.gz GDLUQKPYODYQMB-SNVBAGLBSA-N 1 2 266.747 3.603 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000354032914 1127287357 /nfs/dbraw/zinc/28/73/57/1127287357.db2.gz GDLUQKPYODYQMB-SNVBAGLBSA-N 1 2 266.747 3.603 20 30 CHEDLO CC[N@H+](Cc1ccncc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000592063797 1127332605 /nfs/dbraw/zinc/33/26/05/1127332605.db2.gz JDQDEFDSXOLDFU-CYBMUJFWSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[N@@H+](Cc1ccncc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000592063797 1127332610 /nfs/dbraw/zinc/33/26/10/1127332610.db2.gz JDQDEFDSXOLDFU-CYBMUJFWSA-N 1 2 283.350 3.675 20 30 CHEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)[C@@H]1c1cccc(F)c1 ZINC000592071672 1127334899 /nfs/dbraw/zinc/33/48/99/1127334899.db2.gz OCVQJYVEHFZELR-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H]1c1cccc(F)c1 ZINC000592071672 1127334902 /nfs/dbraw/zinc/33/49/02/1127334902.db2.gz OCVQJYVEHFZELR-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000355451189 1127342601 /nfs/dbraw/zinc/34/26/01/1127342601.db2.gz UPVBGRWTSYLEHT-LLVKDONJSA-N 1 2 275.377 3.533 20 30 CHEDLO COc1cc[nH+]cc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593944990 1127399953 /nfs/dbraw/zinc/39/99/53/1127399953.db2.gz CVTYDCXRCIJJNM-UHFFFAOYSA-N 1 2 281.359 3.503 20 30 CHEDLO Cc1cc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)no1 ZINC000594519055 1127420931 /nfs/dbraw/zinc/42/09/31/1127420931.db2.gz SGTXTBCLUDCQDB-CYBMUJFWSA-N 1 2 281.359 3.585 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358587499 1127428206 /nfs/dbraw/zinc/42/82/06/1127428206.db2.gz KLIMNPZOOYOSRM-VHSXEESVSA-N 1 2 289.379 3.874 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000594993731 1127444440 /nfs/dbraw/zinc/44/44/40/1127444440.db2.gz GFGFTPXQCMUVGV-UKRRQHHQSA-N 1 2 272.392 3.967 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Cl)cn1 ZINC000595090542 1127453909 /nfs/dbraw/zinc/45/39/09/1127453909.db2.gz HMRSGIRYNNTPLA-GFCCVEGCSA-N 1 2 277.799 3.860 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C#N)cc1F ZINC000595090211 1127454347 /nfs/dbraw/zinc/45/43/47/1127454347.db2.gz FWMOTWCGQAIRDW-ZDUSSCGKSA-N 1 2 285.366 3.822 20 30 CHEDLO COc1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2ccccc2)cc1 ZINC000595635963 1127469521 /nfs/dbraw/zinc/46/95/21/1127469521.db2.gz PEZSBEVIMIZVQT-SFHVURJKSA-N 1 2 292.382 3.678 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000595614635 1127471068 /nfs/dbraw/zinc/47/10/68/1127471068.db2.gz LVJPERZBSKVABX-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000595614635 1127471069 /nfs/dbraw/zinc/47/10/69/1127471069.db2.gz LVJPERZBSKVABX-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841378 1127477452 /nfs/dbraw/zinc/47/74/52/1127477452.db2.gz LFXWONKVEZARJR-KRWDZBQOSA-N 1 2 272.392 3.554 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841378 1127477453 /nfs/dbraw/zinc/47/74/53/1127477453.db2.gz LFXWONKVEZARJR-KRWDZBQOSA-N 1 2 272.392 3.554 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000596994551 1127524525 /nfs/dbraw/zinc/52/45/25/1127524525.db2.gz CXEHIACYAKZYLU-LBPRGKRZSA-N 1 2 285.416 3.853 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000596994551 1127524527 /nfs/dbraw/zinc/52/45/27/1127524527.db2.gz CXEHIACYAKZYLU-LBPRGKRZSA-N 1 2 285.416 3.853 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000596991943 1127524697 /nfs/dbraw/zinc/52/46/97/1127524697.db2.gz PAMSREKULUKFOS-LBPRGKRZSA-N 1 2 285.416 3.710 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000596991943 1127524702 /nfs/dbraw/zinc/52/47/02/1127524702.db2.gz PAMSREKULUKFOS-LBPRGKRZSA-N 1 2 285.416 3.710 20 30 CHEDLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597175707 1127531526 /nfs/dbraw/zinc/53/15/26/1127531526.db2.gz DEFKCBSJTFXPRE-LBPRGKRZSA-N 1 2 277.437 3.566 20 30 CHEDLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597175707 1127531528 /nfs/dbraw/zinc/53/15/28/1127531528.db2.gz DEFKCBSJTFXPRE-LBPRGKRZSA-N 1 2 277.437 3.566 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000597228266 1127534501 /nfs/dbraw/zinc/53/45/01/1127534501.db2.gz CRVBVXTUDPUIEL-QGZVFWFLSA-N 1 2 266.344 3.682 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000597228266 1127534502 /nfs/dbraw/zinc/53/45/02/1127534502.db2.gz CRVBVXTUDPUIEL-QGZVFWFLSA-N 1 2 266.344 3.682 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230705 1127534664 /nfs/dbraw/zinc/53/46/64/1127534664.db2.gz IDWIHGIVUOHEKU-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230705 1127534667 /nfs/dbraw/zinc/53/46/67/1127534667.db2.gz IDWIHGIVUOHEKU-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(NC[C@@H](C)CCC#N)cc2)c1C ZINC000602676262 1127602884 /nfs/dbraw/zinc/60/28/84/1127602884.db2.gz KVHYFAXULBQAJZ-ZDUSSCGKSA-N 1 2 282.391 3.841 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981776 1127624381 /nfs/dbraw/zinc/62/43/81/1127624381.db2.gz JLPODLVAARNACX-JSGCOSHPSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981776 1127624383 /nfs/dbraw/zinc/62/43/83/1127624383.db2.gz JLPODLVAARNACX-JSGCOSHPSA-N 1 2 294.345 3.721 20 30 CHEDLO CCC(F)(F)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000598997199 1127650870 /nfs/dbraw/zinc/65/08/70/1127650870.db2.gz ZSHRTZHZMGRRRQ-UHFFFAOYSA-N 1 2 282.334 3.504 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)o1 ZINC000599019974 1127652192 /nfs/dbraw/zinc/65/21/92/1127652192.db2.gz JYNWZJLSHIMVTJ-UHFFFAOYSA-N 1 2 288.297 3.598 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000599072051 1127655444 /nfs/dbraw/zinc/65/54/44/1127655444.db2.gz XBNHMDUDNKWNPG-OWCLPIDISA-N 1 2 292.373 3.925 20 30 CHEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599308259 1127666779 /nfs/dbraw/zinc/66/67/79/1127666779.db2.gz SJWPYVRPUMANIT-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599308259 1127666783 /nfs/dbraw/zinc/66/67/83/1127666783.db2.gz SJWPYVRPUMANIT-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO C[C@@]12CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]1C2(F)F ZINC000298234599 1127716977 /nfs/dbraw/zinc/71/69/77/1127716977.db2.gz HZUWWFMVZJRGHC-UONOGXRCSA-N 1 2 296.748 3.689 20 30 CHEDLO C[C@@]12CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]1C2(F)F ZINC000298234599 1127716981 /nfs/dbraw/zinc/71/69/81/1127716981.db2.gz HZUWWFMVZJRGHC-UONOGXRCSA-N 1 2 296.748 3.689 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NCCCCC#N)c1 ZINC001168436666 1128002903 /nfs/dbraw/zinc/00/29/03/1128002903.db2.gz RAJGIJQVJKUOGC-UHFFFAOYSA-N 1 2 259.397 3.947 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000469172059 1128037147 /nfs/dbraw/zinc/03/71/47/1128037147.db2.gz IJTQYHYLVCDYJB-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000469172059 1128037150 /nfs/dbraw/zinc/03/71/50/1128037150.db2.gz IJTQYHYLVCDYJB-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 ZINC000271706034 1128046272 /nfs/dbraw/zinc/04/62/72/1128046272.db2.gz UVYMARUBXVBTFQ-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 ZINC000271706037 1128046709 /nfs/dbraw/zinc/04/67/09/1128046709.db2.gz UVYMARUBXVBTFQ-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO CC[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(C#N)c1O ZINC000926496592 1128176235 /nfs/dbraw/zinc/17/62/35/1128176235.db2.gz IUSNODMXXZBPNH-CYBMUJFWSA-N 1 2 282.334 3.740 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000926524229 1128178582 /nfs/dbraw/zinc/17/85/82/1128178582.db2.gz MELRXTRWGIPXKL-JSGCOSHPSA-N 1 2 294.345 3.740 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(Cl)cc1Cl)C1CCCC1 ZINC000777601148 1128178611 /nfs/dbraw/zinc/17/86/11/1128178611.db2.gz VYZSXDUFPBINGH-UHFFFAOYSA-N 1 2 283.202 3.766 20 30 CHEDLO C#CC[N@H+](Cc1ncc(Cl)cc1Cl)C1CCCC1 ZINC000777601148 1128178613 /nfs/dbraw/zinc/17/86/13/1128178613.db2.gz VYZSXDUFPBINGH-UHFFFAOYSA-N 1 2 283.202 3.766 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCc2ccsc2)c(O)c1 ZINC000914701746 1128232866 /nfs/dbraw/zinc/23/28/66/1128232866.db2.gz OJSIWEQTZPFQOT-YBEGLDIGSA-N 1 2 275.373 3.514 20 30 CHEDLO N#CCC[N@H+](CCCCC1(C#N)CCC1)Cc1ccccn1 ZINC000929798674 1128288721 /nfs/dbraw/zinc/28/87/21/1128288721.db2.gz LYQHKBSCGWKFBS-UHFFFAOYSA-N 1 2 296.418 3.661 20 30 CHEDLO N#CCC[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccn1 ZINC000929798674 1128288724 /nfs/dbraw/zinc/28/87/24/1128288724.db2.gz LYQHKBSCGWKFBS-UHFFFAOYSA-N 1 2 296.418 3.661 20 30 CHEDLO Oc1ccc(/C=[NH+]\CCCC2CCCCC2)c(O)c1O ZINC000915113560 1128284257 /nfs/dbraw/zinc/28/42/57/1128284257.db2.gz YVSXWADICVXHBV-BOPFTXTBSA-N 1 2 277.364 3.583 20 30 CHEDLO CCc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000929756634 1128284854 /nfs/dbraw/zinc/28/48/54/1128284854.db2.gz IIOHRJFGDOELRS-DLBZAZTESA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000929756634 1128284856 /nfs/dbraw/zinc/28/48/56/1128284856.db2.gz IIOHRJFGDOELRS-DLBZAZTESA-N 1 2 295.386 3.509 20 30 CHEDLO N#CCC[N@H+](CCCCC1(C#N)CCC1)Cc1ccco1 ZINC000929774255 1128286245 /nfs/dbraw/zinc/28/62/45/1128286245.db2.gz MDQRPCQXKLXZAX-UHFFFAOYSA-N 1 2 285.391 3.859 20 30 CHEDLO N#CCC[N@@H+](CCCCC1(C#N)CCC1)Cc1ccco1 ZINC000929774255 1128286248 /nfs/dbraw/zinc/28/62/48/1128286248.db2.gz MDQRPCQXKLXZAX-UHFFFAOYSA-N 1 2 285.391 3.859 20 30 CHEDLO C#CC[C@H](Nc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000762553522 1128307079 /nfs/dbraw/zinc/30/70/79/1128307079.db2.gz VTCFTRMHJFMBRJ-HNNXBMFYSA-N 1 2 275.355 3.750 20 30 CHEDLO CC1(C)C[N@H+](Cc2cncc(C#N)c2)[C@@H]1c1cccs1 ZINC000930495238 1128321188 /nfs/dbraw/zinc/32/11/88/1128321188.db2.gz XJNNYTUEPYLFJG-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cncc(C#N)c2)[C@@H]1c1cccs1 ZINC000930495238 1128321191 /nfs/dbraw/zinc/32/11/91/1128321191.db2.gz XJNNYTUEPYLFJG-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562200672 1128385312 /nfs/dbraw/zinc/38/53/12/1128385312.db2.gz UEPQXMXZTSLRBW-UHFFFAOYSA-N 1 2 286.297 3.535 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562200672 1128385316 /nfs/dbraw/zinc/38/53/16/1128385316.db2.gz UEPQXMXZTSLRBW-UHFFFAOYSA-N 1 2 286.297 3.535 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cn1 ZINC000778210754 1128450272 /nfs/dbraw/zinc/45/02/72/1128450272.db2.gz DHGDOCVKNRUPAC-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cn1 ZINC000778210754 1128450275 /nfs/dbraw/zinc/45/02/75/1128450275.db2.gz DHGDOCVKNRUPAC-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000934463404 1128460989 /nfs/dbraw/zinc/46/09/89/1128460989.db2.gz IMRKFOSOFWIJRC-SNVBAGLBSA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000934463404 1128460994 /nfs/dbraw/zinc/46/09/94/1128460994.db2.gz IMRKFOSOFWIJRC-SNVBAGLBSA-N 1 2 257.164 3.539 20 30 CHEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000563840521 1128481531 /nfs/dbraw/zinc/48/15/31/1128481531.db2.gz FGZLALAVZKQTFV-CQSZACIVSA-N 1 2 275.783 3.929 20 30 CHEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000563840521 1128481533 /nfs/dbraw/zinc/48/15/33/1128481533.db2.gz FGZLALAVZKQTFV-CQSZACIVSA-N 1 2 275.783 3.929 20 30 CHEDLO C[C@H](C#N)C[N@H+](C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000565742604 1128532118 /nfs/dbraw/zinc/53/21/18/1128532118.db2.gz FHJQALRNACVGOC-QAVQXKDTSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000565742604 1128532119 /nfs/dbraw/zinc/53/21/19/1128532119.db2.gz FHJQALRNACVGOC-QAVQXKDTSA-N 1 2 276.330 3.602 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1ccc(Cl)cc1Br ZINC000158606042 1128669459 /nfs/dbraw/zinc/66/94/59/1128669459.db2.gz IBSFHQRONDWEMX-UHFFFAOYSA-N 1 2 295.007 3.945 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1coc2ccccc12 ZINC000159037767 1128673940 /nfs/dbraw/zinc/67/39/40/1128673940.db2.gz WWVYDCVPGZYKLC-CMDGGOBGSA-N 1 2 288.306 3.977 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCC[C@H]2C)c1O ZINC000920387678 1128679703 /nfs/dbraw/zinc/67/97/03/1128679703.db2.gz SJVDPZYMIDWKFV-GWMMYCTHSA-N 1 2 261.365 3.646 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCCc2ccccc2)c(O)c1 ZINC000920943501 1128695677 /nfs/dbraw/zinc/69/56/77/1128695677.db2.gz ZFBDMXQAGIYVOP-RGEXLXHISA-N 1 2 283.371 3.843 20 30 CHEDLO CCOc1cccc(/C=[NH+]\C[C@H]2CC=CCC2)c1O ZINC000920990745 1128697096 /nfs/dbraw/zinc/69/70/96/1128697096.db2.gz BCGDLWRVSHHCMI-IGWPVBGESA-N 1 2 259.349 3.566 20 30 CHEDLO CCc1cccc(Nc2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC001212251869 1128699462 /nfs/dbraw/zinc/69/94/62/1128699462.db2.gz YYASEYBWQTXWBW-UHFFFAOYSA-N 1 2 263.344 3.943 20 30 CHEDLO Cc1cc(SCc2cc[nH+]c(N(C)C)c2)ccc1C#N ZINC000842632907 1128727987 /nfs/dbraw/zinc/72/79/87/1128727987.db2.gz MNYKZGMKYWQHRS-UHFFFAOYSA-N 1 2 283.400 3.620 20 30 CHEDLO C=C(C)CN(CC)c1[nH+]ccc2cc(OC)c(F)cc21 ZINC001167051127 1117788066 /nfs/dbraw/zinc/78/80/66/1117788066.db2.gz ZYNYZTFIUWDAIQ-UHFFFAOYSA-N 1 2 274.339 3.785 20 30 CHEDLO C#CC[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000763955875 1117863771 /nfs/dbraw/zinc/86/37/71/1117863771.db2.gz HCGJLOVHWOEMHZ-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C#CC[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000763955875 1117863779 /nfs/dbraw/zinc/86/37/79/1117863779.db2.gz HCGJLOVHWOEMHZ-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C=CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430218766 1117890554 /nfs/dbraw/zinc/89/05/54/1117890554.db2.gz NWBRWHBDIMSSED-CYBMUJFWSA-N 1 2 284.172 3.911 20 30 CHEDLO C=CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430218766 1117890558 /nfs/dbraw/zinc/89/05/58/1117890558.db2.gz NWBRWHBDIMSSED-CYBMUJFWSA-N 1 2 284.172 3.911 20 30 CHEDLO C=CCCC[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001209163289 1118006721 /nfs/dbraw/zinc/00/67/21/1118006721.db2.gz BOYMMISNZLYLAQ-OAHLLOKOSA-N 1 2 265.784 3.680 20 30 CHEDLO C=CCCC[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001209163289 1118006726 /nfs/dbraw/zinc/00/67/26/1118006726.db2.gz BOYMMISNZLYLAQ-OAHLLOKOSA-N 1 2 265.784 3.680 20 30 CHEDLO C=CCN(Cc1ccccc1)c1[nH+]ccc(F)c1C ZINC001167126413 1118041783 /nfs/dbraw/zinc/04/17/83/1118041783.db2.gz YUXYEXKCDVJVIP-UHFFFAOYSA-N 1 2 256.324 3.722 20 30 CHEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC#N)CCC(C)C ZINC000183330187 1118042736 /nfs/dbraw/zinc/04/27/36/1118042736.db2.gz PVJJPHXMBMSGFN-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC#N)CCC(C)C ZINC000183330187 1118042739 /nfs/dbraw/zinc/04/27/39/1118042739.db2.gz PVJJPHXMBMSGFN-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO C=CCN(Cc1ccccc1)c1[nH+]cc(C)cc1OC ZINC001167126723 1118042758 /nfs/dbraw/zinc/04/27/58/1118042758.db2.gz KTMQUKINBWYZNL-UHFFFAOYSA-N 1 2 268.360 3.591 20 30 CHEDLO C=CCCCCCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209437989 1118056421 /nfs/dbraw/zinc/05/64/21/1118056421.db2.gz BAVWPTUARKYVKD-AWEZNQCLSA-N 1 2 275.383 3.605 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209437989 1118056424 /nfs/dbraw/zinc/05/64/24/1118056424.db2.gz BAVWPTUARKYVKD-AWEZNQCLSA-N 1 2 275.383 3.605 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1c(F)cncc1F ZINC001167273605 1118136943 /nfs/dbraw/zinc/13/69/43/1118136943.db2.gz MXJRUHXITOVRMK-UHFFFAOYSA-N 1 2 288.341 3.591 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)Cc1c(F)cncc1F ZINC001167273605 1118136947 /nfs/dbraw/zinc/13/69/47/1118136947.db2.gz MXJRUHXITOVRMK-UHFFFAOYSA-N 1 2 288.341 3.591 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(C#N)cc1 ZINC000921515366 1118154911 /nfs/dbraw/zinc/15/49/11/1118154911.db2.gz CQNFTPRLNGBOOV-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO COc1cc(Nc2cc(Cl)ccc2C#N)cc(C)[nH+]1 ZINC001210781064 1118386493 /nfs/dbraw/zinc/38/64/93/1118386493.db2.gz WMJKXNJIUDXRGT-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO OCCCCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000588384482 1118486223 /nfs/dbraw/zinc/48/62/23/1118486223.db2.gz CZAOZVDBCNKBQM-AQTBWJFISA-N 1 2 271.360 3.517 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccnc(Cl)c3)n2c1 ZINC000782194501 1118486892 /nfs/dbraw/zinc/48/68/92/1118486892.db2.gz PUFZXTGFFLDHQG-ONEGZZNKSA-N 1 2 297.745 3.587 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccnc(Cl)c3)n2c1 ZINC000782194499 1118487063 /nfs/dbraw/zinc/48/70/63/1118487063.db2.gz PUFZXTGFFLDHQG-ARJAWSKDSA-N 1 2 297.745 3.587 20 30 CHEDLO Cc1c[nH+]cc(Nc2cnc(C#N)c(C(F)(F)F)c2)c1C ZINC001213527365 1118532439 /nfs/dbraw/zinc/53/24/39/1118532439.db2.gz HYPRMDQFINXMMU-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO CC[C@H]([NH2+]CCCCCSC)c1cccc(C#N)c1O ZINC000926209919 1118745021 /nfs/dbraw/zinc/74/50/21/1118745021.db2.gz MCOTXVAMRLWOCG-HNNXBMFYSA-N 1 2 292.448 3.838 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1csc(C#N)c1 ZINC000891910020 1118844258 /nfs/dbraw/zinc/84/42/58/1118844258.db2.gz WCBSXTHLQWZIRK-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1csc(C#N)c1 ZINC000891910020 1118844262 /nfs/dbraw/zinc/84/42/62/1118844262.db2.gz WCBSXTHLQWZIRK-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000247535778 1118858742 /nfs/dbraw/zinc/85/87/42/1118858742.db2.gz OREARRJUEUIZKP-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000247535778 1118858750 /nfs/dbraw/zinc/85/87/50/1118858750.db2.gz OREARRJUEUIZKP-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1C#N ZINC000610994723 1118919266 /nfs/dbraw/zinc/91/92/66/1118919266.db2.gz OGOWUFXRBCTCJG-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1C#N ZINC000610994723 1118919268 /nfs/dbraw/zinc/91/92/68/1118919268.db2.gz OGOWUFXRBCTCJG-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO Cc1cccnc1[C@H]([NH2+]Cc1ccncc1C#N)C(C)(C)C ZINC000934285936 1119009129 /nfs/dbraw/zinc/00/91/29/1119009129.db2.gz ASZUUKMFXNKLNZ-KRWDZBQOSA-N 1 2 294.402 3.534 20 30 CHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC000582189237 1119032385 /nfs/dbraw/zinc/03/23/85/1119032385.db2.gz JXLFUEPEJXUPFX-ZJUUUORDSA-N 1 2 254.736 3.822 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000934471458 1119084310 /nfs/dbraw/zinc/08/43/10/1119084310.db2.gz IZRHWBJFQBHVTG-NSHDSACASA-N 1 2 277.318 3.582 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000934471458 1119084315 /nfs/dbraw/zinc/08/43/15/1119084315.db2.gz IZRHWBJFQBHVTG-NSHDSACASA-N 1 2 277.318 3.582 20 30 CHEDLO CCCCCCCCSc1nc(N)cc(C)[nH+]1 ZINC000148592162 1119336423 /nfs/dbraw/zinc/33/64/23/1119336423.db2.gz CUTZZHSSQAMHFR-UHFFFAOYSA-N 1 2 253.415 3.820 20 30 CHEDLO Cc1cccc(CCCNc2cc(Cl)ccc2C#N)[nH+]1 ZINC000343231766 1119358529 /nfs/dbraw/zinc/35/85/29/1119358529.db2.gz AOKVRUGIQWQJIJ-UHFFFAOYSA-N 1 2 285.778 3.960 20 30 CHEDLO N#Cc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1F ZINC001213088791 1119372033 /nfs/dbraw/zinc/37/20/33/1119372033.db2.gz DNVIVKMQSYIEKC-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO CCn1c2ccccc2[nH+]c1NCc1cc(C#N)cs1 ZINC000158914644 1119624503 /nfs/dbraw/zinc/62/45/03/1119624503.db2.gz NNMSTAPNVXRTBB-UHFFFAOYSA-N 1 2 282.372 3.601 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165179 1119739610 /nfs/dbraw/zinc/73/96/10/1119739610.db2.gz LACGUTIKZBJHNN-BBRMVZONSA-N 1 2 287.363 3.590 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165179 1119739614 /nfs/dbraw/zinc/73/96/14/1119739614.db2.gz LACGUTIKZBJHNN-BBRMVZONSA-N 1 2 287.363 3.590 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000924532717 1119754299 /nfs/dbraw/zinc/75/42/99/1119754299.db2.gz XRJXQXHKZBTLKS-QGZVFWFLSA-N 1 2 296.370 3.513 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000612406084 1119783595 /nfs/dbraw/zinc/78/35/95/1119783595.db2.gz IBNLBOMZKHKGOW-OUMXJLHTSA-N 1 2 274.795 3.979 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000612406084 1119783596 /nfs/dbraw/zinc/78/35/96/1119783596.db2.gz IBNLBOMZKHKGOW-OUMXJLHTSA-N 1 2 274.795 3.979 20 30 CHEDLO CC(C)COc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612405646 1119784182 /nfs/dbraw/zinc/78/41/82/1119784182.db2.gz BWLCRNVHLHNJFX-SFHVURJKSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612405646 1119784184 /nfs/dbraw/zinc/78/41/84/1119784184.db2.gz BWLCRNVHLHNJFX-SFHVURJKSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000612585321 1119802715 /nfs/dbraw/zinc/80/27/15/1119802715.db2.gz XGAWRXBSUIBTTR-UHFFFAOYSA-N 1 2 290.313 3.864 20 30 CHEDLO O=C1c2ccc(Cl)cc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000180314809 1119981318 /nfs/dbraw/zinc/98/13/18/1119981318.db2.gz NVYYAMVBHFGENR-ZRDIBKRKSA-N 1 2 294.741 3.810 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1OC(F)(F)F ZINC000903102017 1120069714 /nfs/dbraw/zinc/06/97/14/1120069714.db2.gz PKWADSMHBFGGBX-SNVBAGLBSA-N 1 2 284.281 3.540 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccsc2Cl)CCCC1 ZINC000405186555 1120190713 /nfs/dbraw/zinc/19/07/13/1120190713.db2.gz LDILSLCYNKVNGF-UHFFFAOYSA-N 1 2 254.786 3.575 20 30 CHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](C#N)CCC#N ZINC000076514006 1120285081 /nfs/dbraw/zinc/28/50/81/1120285081.db2.gz VIQSZIQBLLPFBW-NSHDSACASA-N 1 2 296.201 3.869 20 30 CHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](C#N)CCC#N ZINC000076514006 1120285083 /nfs/dbraw/zinc/28/50/83/1120285083.db2.gz VIQSZIQBLLPFBW-NSHDSACASA-N 1 2 296.201 3.869 20 30 CHEDLO C=CCCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000319046070 1120459636 /nfs/dbraw/zinc/45/96/36/1120459636.db2.gz DOXZUDDSDHIMGR-UHFFFAOYSA-N 1 2 293.374 3.584 20 30 CHEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428302883 1120492986 /nfs/dbraw/zinc/49/29/86/1120492986.db2.gz GWWVXEYPIIETCT-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cccc2ccccc21 ZINC000428860040 1120540940 /nfs/dbraw/zinc/54/09/40/1120540940.db2.gz FDFZBOFQUWZPIR-UHFFFAOYSA-N 1 2 250.345 3.741 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cccc2ccccc21 ZINC000428860040 1120540944 /nfs/dbraw/zinc/54/09/44/1120540944.db2.gz FDFZBOFQUWZPIR-UHFFFAOYSA-N 1 2 250.345 3.741 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000428866584 1120545206 /nfs/dbraw/zinc/54/52/06/1120545206.db2.gz ZZTAQZVRSNDQGI-UHFFFAOYSA-N 1 2 256.393 3.886 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000428866584 1120545208 /nfs/dbraw/zinc/54/52/08/1120545208.db2.gz ZZTAQZVRSNDQGI-UHFFFAOYSA-N 1 2 256.393 3.886 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1cc(F)ccc1OC ZINC000922624400 1120565427 /nfs/dbraw/zinc/56/54/27/1120565427.db2.gz ZMAULJLZYGXYEF-QGZVFWFLSA-N 1 2 298.361 3.947 20 30 CHEDLO Cc1cc(C)c(NC(=O)c2cc(C#N)ccc2Cl)c(C)[nH+]1 ZINC000334474862 1120640127 /nfs/dbraw/zinc/64/01/27/1120640127.db2.gz LOOLLKGPVMYRJM-UHFFFAOYSA-N 1 2 299.761 3.784 20 30 CHEDLO Clc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000299810731 1120649958 /nfs/dbraw/zinc/64/99/58/1120649958.db2.gz YJGLZYNAYJCSRA-UHFFFAOYSA-N 1 2 281.746 3.756 20 30 CHEDLO C=CC[N@H+](Cc1csc(C2CCCC2)n1)[C@@H](C)COC ZINC000661242522 1120742990 /nfs/dbraw/zinc/74/29/90/1120742990.db2.gz BSMVCOCSCZXLMN-ZDUSSCGKSA-N 1 2 294.464 3.824 20 30 CHEDLO C=CC[N@@H+](Cc1csc(C2CCCC2)n1)[C@@H](C)COC ZINC000661242522 1120742995 /nfs/dbraw/zinc/74/29/95/1120742995.db2.gz BSMVCOCSCZXLMN-ZDUSSCGKSA-N 1 2 294.464 3.824 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc2c(c1)CCO2 ZINC001167780364 1120777238 /nfs/dbraw/zinc/77/72/38/1120777238.db2.gz PYTZSMGXSLIWSD-UHFFFAOYSA-N 1 2 280.371 3.666 20 30 CHEDLO C=CC[N@@H+](Cc1noc(-c2ccccc2C)n1)C(C)(C)C ZINC000661756908 1120809858 /nfs/dbraw/zinc/80/98/58/1120809858.db2.gz XGMNQBRDPZQAFN-UHFFFAOYSA-N 1 2 285.391 3.832 20 30 CHEDLO C=CC[N@H+](Cc1noc(-c2ccccc2C)n1)C(C)(C)C ZINC000661756908 1120809859 /nfs/dbraw/zinc/80/98/59/1120809859.db2.gz XGMNQBRDPZQAFN-UHFFFAOYSA-N 1 2 285.391 3.832 20 30 CHEDLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1Cl ZINC000625677483 1121055158 /nfs/dbraw/zinc/05/51/58/1121055158.db2.gz YFVHTRGPPPQMSP-OKILXGFUSA-N 1 2 295.760 3.954 20 30 CHEDLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1Cl ZINC000625677483 1121055164 /nfs/dbraw/zinc/05/51/64/1121055164.db2.gz YFVHTRGPPPQMSP-OKILXGFUSA-N 1 2 295.760 3.954 20 30 CHEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)s1 ZINC000344073467 1121073525 /nfs/dbraw/zinc/07/35/25/1121073525.db2.gz PIDNNMIXBNGZPX-UHFFFAOYSA-N 1 2 297.427 3.796 20 30 CHEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)s1 ZINC000344073467 1121073537 /nfs/dbraw/zinc/07/35/37/1121073537.db2.gz PIDNNMIXBNGZPX-UHFFFAOYSA-N 1 2 297.427 3.796 20 30 CHEDLO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2NC=[NH2+])c1 ZINC001167865316 1121166697 /nfs/dbraw/zinc/16/66/97/1121166697.db2.gz OSICHXGISJMQRB-UHFFFAOYSA-N 1 2 290.248 3.658 20 30 CHEDLO C=CCOc1ccccc1CNc1ccc(C)[nH+]c1C ZINC000094664511 1121219765 /nfs/dbraw/zinc/21/97/65/1121219765.db2.gz KQKYCGFRHMSSHM-UHFFFAOYSA-N 1 2 268.360 3.875 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccc(N(C)C)[nH+]c2)cc1Cl ZINC001175343234 1121272386 /nfs/dbraw/zinc/27/23/86/1121272386.db2.gz BEQROLUACXXVNN-UHFFFAOYSA-N 1 2 286.766 3.725 20 30 CHEDLO N#Cc1cc(F)cc(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001175685454 1121432645 /nfs/dbraw/zinc/43/26/45/1121432645.db2.gz TVTBSENMMLLFRW-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO CC(C)c1c[nH]c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000893945627 1121444409 /nfs/dbraw/zinc/44/44/09/1121444409.db2.gz DMVPNHBZHYKJKT-UHFFFAOYSA-N 1 2 296.418 3.815 20 30 CHEDLO CC(C)c1c[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000893945627 1121444410 /nfs/dbraw/zinc/44/44/10/1121444410.db2.gz DMVPNHBZHYKJKT-UHFFFAOYSA-N 1 2 296.418 3.815 20 30 CHEDLO COc1cc[nH+]cc1Nc1cccc(C(F)(F)F)c1C#N ZINC001176123936 1121558099 /nfs/dbraw/zinc/55/80/99/1121558099.db2.gz YXHKOLUYAZJCJD-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO CC[N@@H+](Cc1cnc(-c2ccccc2)s1)C[C@H](C)C#N ZINC000509812284 1121616791 /nfs/dbraw/zinc/61/67/91/1121616791.db2.gz MPUPLKRWRSSVTG-CYBMUJFWSA-N 1 2 285.416 3.792 20 30 CHEDLO CC[N@H+](Cc1cnc(-c2ccccc2)s1)C[C@H](C)C#N ZINC000509812284 1121616796 /nfs/dbraw/zinc/61/67/96/1121616796.db2.gz MPUPLKRWRSSVTG-CYBMUJFWSA-N 1 2 285.416 3.792 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611235933 1121630948 /nfs/dbraw/zinc/63/09/48/1121630948.db2.gz FRESSRIJZFBHCW-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000611235933 1121630950 /nfs/dbraw/zinc/63/09/50/1121630950.db2.gz FRESSRIJZFBHCW-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1nn(C)c2ccccc12 ZINC000611268804 1121633981 /nfs/dbraw/zinc/63/39/81/1121633981.db2.gz DUSRJSXTODTRJR-UHFFFAOYSA-N 1 2 298.434 3.725 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nn(C)c2ccccc12 ZINC000611268804 1121633983 /nfs/dbraw/zinc/63/39/83/1121633983.db2.gz DUSRJSXTODTRJR-UHFFFAOYSA-N 1 2 298.434 3.725 20 30 CHEDLO N#Cc1csc(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000611274496 1121634106 /nfs/dbraw/zinc/63/41/06/1121634106.db2.gz CNXZCJYUFIFNPK-HNNXBMFYSA-N 1 2 272.348 3.706 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000611274496 1121634108 /nfs/dbraw/zinc/63/41/08/1121634108.db2.gz CNXZCJYUFIFNPK-HNNXBMFYSA-N 1 2 272.348 3.706 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC(C)(C)C#N)c1C ZINC000433300493 1121640293 /nfs/dbraw/zinc/64/02/93/1121640293.db2.gz FILZNZYSCGVVGM-UHFFFAOYSA-N 1 2 286.419 3.796 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC(C)(C)C#N)c1C ZINC000433300493 1121640298 /nfs/dbraw/zinc/64/02/98/1121640298.db2.gz FILZNZYSCGVVGM-UHFFFAOYSA-N 1 2 286.419 3.796 20 30 CHEDLO C#Cc1cc(Nc2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC001176541316 1121646478 /nfs/dbraw/zinc/64/64/78/1121646478.db2.gz VQQPZUXVXXJCLJ-UHFFFAOYSA-N 1 2 263.127 3.535 20 30 CHEDLO N#Cc1cc(Nc2[nH+]cccc2N2CCCCC2)ccc1F ZINC001176614354 1121660543 /nfs/dbraw/zinc/66/05/43/1121660543.db2.gz CHFZYWDQYRVPQW-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176751062 1121688313 /nfs/dbraw/zinc/68/83/13/1121688313.db2.gz VISKGMQCYUNTRF-UHFFFAOYSA-N 1 2 292.386 3.859 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1cc2ccccc2o1 ZINC000730148310 1121795231 /nfs/dbraw/zinc/79/52/31/1121795231.db2.gz QFJRBRWFGJEONC-UHFFFAOYSA-N 1 2 287.322 3.849 20 30 CHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C)o1 ZINC001179266570 1121865882 /nfs/dbraw/zinc/86/58/82/1121865882.db2.gz QNGHDTGXFCOELE-UHFFFAOYSA-N 1 2 289.762 3.543 20 30 CHEDLO N#Cc1csc(CNc2[nH]c3ccc(Cl)cc3[nH+]2)c1 ZINC001179516448 1121882610 /nfs/dbraw/zinc/88/26/10/1121882610.db2.gz YXJOXSBFVJJGLO-UHFFFAOYSA-N 1 2 288.763 3.762 20 30 CHEDLO N#Cc1csc(CNc2[nH]c3cc(Cl)ccc3[nH+]2)c1 ZINC001179516448 1121882614 /nfs/dbraw/zinc/88/26/14/1121882614.db2.gz YXJOXSBFVJJGLO-UHFFFAOYSA-N 1 2 288.763 3.762 20 30 CHEDLO N#CC1(CSCc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000419460717 1121940328 /nfs/dbraw/zinc/94/03/28/1121940328.db2.gz GDKVWLVETWNWNP-UHFFFAOYSA-N 1 2 283.400 3.799 20 30 CHEDLO CCCC[N@H+](Cc1ccccc1F)CC1(C#N)CC1 ZINC000501540471 1121986228 /nfs/dbraw/zinc/98/62/28/1121986228.db2.gz PQFWUTSRSJYVMG-UHFFFAOYSA-N 1 2 260.356 3.732 20 30 CHEDLO CCCC[N@@H+](Cc1ccccc1F)CC1(C#N)CC1 ZINC000501540471 1121986231 /nfs/dbraw/zinc/98/62/31/1121986231.db2.gz PQFWUTSRSJYVMG-UHFFFAOYSA-N 1 2 260.356 3.732 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1C#N ZINC000710618552 1122023732 /nfs/dbraw/zinc/02/37/32/1122023732.db2.gz FONNLMMEHSTVIT-OAHLLOKOSA-N 1 2 283.400 3.660 20 30 CHEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1C#N ZINC000710618552 1122023736 /nfs/dbraw/zinc/02/37/36/1122023736.db2.gz FONNLMMEHSTVIT-OAHLLOKOSA-N 1 2 283.400 3.660 20 30 CHEDLO C=CCOc1ccc(C[NH+]2CC(Oc3ccccc3)C2)cc1 ZINC001204300075 1122063569 /nfs/dbraw/zinc/06/35/69/1122063569.db2.gz IMOPUAXFRLVJGM-UHFFFAOYSA-N 1 2 295.382 3.515 20 30 CHEDLO Cc1sc(Nc2ccc(C)[nH+]c2C)c(C#N)c1C ZINC001203367972 1122074116 /nfs/dbraw/zinc/07/41/16/1122074116.db2.gz RRYXBQNXLDVLNK-UHFFFAOYSA-N 1 2 257.362 3.992 20 30 CHEDLO O=[N+]([O-])c1cccc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774311741 1122154236 /nfs/dbraw/zinc/15/42/36/1122154236.db2.gz VILWPROLNTXPBN-UHFFFAOYSA-N 1 2 296.330 3.617 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001182979121 1122200304 /nfs/dbraw/zinc/20/03/04/1122200304.db2.gz QUEHRSRCIHHRLX-UHFFFAOYSA-N 1 2 278.705 3.762 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001182979121 1122200309 /nfs/dbraw/zinc/20/03/09/1122200309.db2.gz QUEHRSRCIHHRLX-UHFFFAOYSA-N 1 2 278.705 3.762 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184969345 1122304278 /nfs/dbraw/zinc/30/42/78/1122304278.db2.gz ZHROHJWJBBNALO-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000430088991 1122397440 /nfs/dbraw/zinc/39/74/40/1122397440.db2.gz LXKKTZPEIHHCKI-UHFFFAOYSA-N 1 2 277.371 3.650 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000430088991 1122397445 /nfs/dbraw/zinc/39/74/45/1122397445.db2.gz LXKKTZPEIHHCKI-UHFFFAOYSA-N 1 2 277.371 3.650 20 30 CHEDLO CC(C)n1ccnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540166 1122549211 /nfs/dbraw/zinc/54/92/11/1122549211.db2.gz VAZRPLPSGCUZBB-AWEZNQCLSA-N 1 2 282.391 3.529 20 30 CHEDLO CC(C)n1ccnc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540166 1122549214 /nfs/dbraw/zinc/54/92/14/1122549214.db2.gz VAZRPLPSGCUZBB-AWEZNQCLSA-N 1 2 282.391 3.529 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cc(O)ccc1Br ZINC000505890416 1122588335 /nfs/dbraw/zinc/58/83/35/1122588335.db2.gz BDBCNLPERUKVTM-UHFFFAOYSA-N 1 2 284.197 3.553 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cc(O)ccc1Br ZINC000505890416 1122588337 /nfs/dbraw/zinc/58/83/37/1122588337.db2.gz BDBCNLPERUKVTM-UHFFFAOYSA-N 1 2 284.197 3.553 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(Cl)c1 ZINC000439425881 1122778018 /nfs/dbraw/zinc/77/80/18/1122778018.db2.gz ADWKMJMZKBKRJE-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(Cl)c1 ZINC000439425881 1122778021 /nfs/dbraw/zinc/77/80/21/1122778021.db2.gz ADWKMJMZKBKRJE-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(O)c1Cl ZINC000507189663 1122937624 /nfs/dbraw/zinc/93/76/24/1122937624.db2.gz WEGZDYFBKROMPQ-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(O)c1Cl ZINC000507189663 1122937627 /nfs/dbraw/zinc/93/76/27/1122937627.db2.gz WEGZDYFBKROMPQ-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001203944889 1123045006 /nfs/dbraw/zinc/04/50/06/1123045006.db2.gz VWVAUNFXNIXHLB-MRXNPFEDSA-N 1 2 278.355 3.824 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001203944889 1123045010 /nfs/dbraw/zinc/04/50/10/1123045010.db2.gz VWVAUNFXNIXHLB-MRXNPFEDSA-N 1 2 278.355 3.824 20 30 CHEDLO Cc1cc(C)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000334490531 1123056795 /nfs/dbraw/zinc/05/67/95/1123056795.db2.gz JAUZJHCRHWXTAP-ZDUSSCGKSA-N 1 2 293.370 3.621 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201286199 1123081463 /nfs/dbraw/zinc/08/14/63/1123081463.db2.gz YQGOUGRFKFQXKE-UHFFFAOYSA-N 1 2 281.435 3.636 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2cccnc2C#N)cc1 ZINC001201487971 1123107556 /nfs/dbraw/zinc/10/75/56/1123107556.db2.gz MXXOLGVXYVTQKC-UHFFFAOYSA-N 1 2 252.321 3.517 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001201839738 1123154868 /nfs/dbraw/zinc/15/48/68/1123154868.db2.gz QKTMDZQHRVIOAL-AWEZNQCLSA-N 1 2 257.393 3.740 20 30 CHEDLO CCCCCCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001201839738 1123154870 /nfs/dbraw/zinc/15/48/70/1123154870.db2.gz QKTMDZQHRVIOAL-AWEZNQCLSA-N 1 2 257.393 3.740 20 30 CHEDLO N#Cc1cccc(C2([NH2+]Cc3cccc(Cl)c3O)CC2)c1 ZINC000776253024 1123179864 /nfs/dbraw/zinc/17/98/64/1123179864.db2.gz KRLPFNCQEOJOSJ-UHFFFAOYSA-N 1 2 298.773 3.696 20 30 CHEDLO C[C@H](C#N)Oc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cc1 ZINC000850410670 1123264167 /nfs/dbraw/zinc/26/41/67/1123264167.db2.gz ZYZRSLFEDFJENH-GFCCVEGCSA-N 1 2 296.361 3.748 20 30 CHEDLO C=CCOCCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000850532316 1123286195 /nfs/dbraw/zinc/28/61/95/1123286195.db2.gz SGEZXCJRDLALRA-AWEZNQCLSA-N 1 2 283.799 3.679 20 30 CHEDLO C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000851143506 1123328325 /nfs/dbraw/zinc/32/83/25/1123328325.db2.gz LWLMTKRFIZCKQM-RBSFLKMASA-N 1 2 276.380 3.512 20 30 CHEDLO CC(C)Oc1ccc(CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000110471719 1123398907 /nfs/dbraw/zinc/39/89/07/1123398907.db2.gz IECVSAZVAWGBOT-UHFFFAOYSA-N 1 2 298.386 3.505 20 30 CHEDLO Cc1[nH]c([C@@H]2CCCN2c2cc(C)cc(F)c2C#N)[nH+]c1C ZINC000895194416 1123404539 /nfs/dbraw/zinc/40/45/39/1123404539.db2.gz CRZVIFHVLFEZIW-HNNXBMFYSA-N 1 2 298.365 3.687 20 30 CHEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852518649 1123408057 /nfs/dbraw/zinc/40/80/57/1123408057.db2.gz LPKDXUTVVGBDQY-CYBMUJFWSA-N 1 2 269.747 3.724 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852518649 1123408060 /nfs/dbraw/zinc/40/80/60/1123408060.db2.gz LPKDXUTVVGBDQY-CYBMUJFWSA-N 1 2 269.747 3.724 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000852684373 1123411681 /nfs/dbraw/zinc/41/16/81/1123411681.db2.gz FSCMWTATFGZAES-CQSZACIVSA-N 1 2 282.359 3.737 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000852684373 1123411682 /nfs/dbraw/zinc/41/16/82/1123411682.db2.gz FSCMWTATFGZAES-CQSZACIVSA-N 1 2 282.359 3.737 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(F)cc1N(C)C ZINC000759193857 1123432513 /nfs/dbraw/zinc/43/25/13/1123432513.db2.gz SKETYRPKVKGSRR-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000776793214 1123506328 /nfs/dbraw/zinc/50/63/28/1123506328.db2.gz NRSDYBPWMWGPOV-SFHVURJKSA-N 1 2 286.419 3.680 20 30 CHEDLO Cc1cc(C)c2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc2[nH+]1 ZINC000895879638 1123524095 /nfs/dbraw/zinc/52/40/95/1123524095.db2.gz SUYRSBAUVAPXIK-ZIAGYGMSSA-N 1 2 265.360 3.956 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115740350 1123627788 /nfs/dbraw/zinc/62/77/88/1123627788.db2.gz GAQPEEXRIKYUAC-ZDUSSCGKSA-N 1 2 253.798 3.529 20 30 CHEDLO C=C(Cl)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115740350 1123627791 /nfs/dbraw/zinc/62/77/91/1123627791.db2.gz GAQPEEXRIKYUAC-ZDUSSCGKSA-N 1 2 253.798 3.529 20 30 CHEDLO C=C1CC(c2noc([C@@H](c3ccccc3)[N@@H+](C)CC)n2)C1 ZINC000896877504 1123655737 /nfs/dbraw/zinc/65/57/37/1123655737.db2.gz SSSCWZBXAGHBPG-OAHLLOKOSA-N 1 2 283.375 3.544 20 30 CHEDLO C=C1CC(c2noc([C@@H](c3ccccc3)[N@H+](C)CC)n2)C1 ZINC000896877504 1123655740 /nfs/dbraw/zinc/65/57/40/1123655740.db2.gz SSSCWZBXAGHBPG-OAHLLOKOSA-N 1 2 283.375 3.544 20 30 CHEDLO FC(F)(F)c1ccc(C2CC(=[NH+]n3cccn3)C2)cc1 ZINC000863164956 1123849379 /nfs/dbraw/zinc/84/93/79/1123849379.db2.gz XKAKVTJIFMOBKC-UHFFFAOYSA-N 1 2 279.265 3.684 20 30 CHEDLO Cc1cc(NCc2cccc(C#N)c2)ccc1[NH+](C)C ZINC000120158774 1123937635 /nfs/dbraw/zinc/93/76/35/1123937635.db2.gz UCGFPMVASKAWPJ-UHFFFAOYSA-N 1 2 265.360 3.545 20 30 CHEDLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214092 1124037701 /nfs/dbraw/zinc/03/77/01/1124037701.db2.gz IKAOFGHYUSVWQL-ZIAGYGMSSA-N 1 2 280.371 3.984 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc(C#N)cc1 ZINC000866241525 1124040733 /nfs/dbraw/zinc/04/07/33/1124040733.db2.gz AUAMMVQMJSKCTG-XZOAIXRZSA-N 1 2 296.345 3.681 20 30 CHEDLO CC#CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444701997 1124054874 /nfs/dbraw/zinc/05/48/74/1124054874.db2.gz XLGFLIPRLVUQCU-CZUORRHYSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444701997 1124054878 /nfs/dbraw/zinc/05/48/78/1124054878.db2.gz XLGFLIPRLVUQCU-CZUORRHYSA-N 1 2 277.795 3.515 20 30 CHEDLO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866354231 1124056836 /nfs/dbraw/zinc/05/68/36/1124056836.db2.gz ZGAIPDCXHQBNNR-NWDGAFQWSA-N 1 2 294.345 3.740 20 30 CHEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1cccc(F)c1C#N ZINC000428467061 1124132081 /nfs/dbraw/zinc/13/20/81/1124132081.db2.gz WVNNOZYTEGUQMM-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(F)c1C#N ZINC000428467061 1124132082 /nfs/dbraw/zinc/13/20/82/1124132082.db2.gz WVNNOZYTEGUQMM-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745771 1129173844 /nfs/dbraw/zinc/17/38/44/1129173844.db2.gz IGBMVNHNKZNEIA-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745771 1129173845 /nfs/dbraw/zinc/17/38/45/1129173845.db2.gz IGBMVNHNKZNEIA-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc2ccccc21 ZINC000449021484 1124638982 /nfs/dbraw/zinc/63/89/82/1124638982.db2.gz CQMKZWFXUDZSER-ZDUSSCGKSA-N 1 2 268.360 3.582 20 30 CHEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc2ccccc21 ZINC000449021484 1124638977 /nfs/dbraw/zinc/63/89/77/1124638977.db2.gz CQMKZWFXUDZSER-ZDUSSCGKSA-N 1 2 268.360 3.582 20 30 CHEDLO C=CCCCC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000449239998 1124678871 /nfs/dbraw/zinc/67/88/71/1124678871.db2.gz XJDPHCJRWRRSDG-HOCLYGCPSA-N 1 2 284.407 3.619 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)o1 ZINC000449732750 1124851169 /nfs/dbraw/zinc/85/11/69/1124851169.db2.gz MNIAIUOORFWZBP-MRXNPFEDSA-N 1 2 288.297 3.767 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)o1 ZINC000449732750 1124851181 /nfs/dbraw/zinc/85/11/81/1124851181.db2.gz MNIAIUOORFWZBP-MRXNPFEDSA-N 1 2 288.297 3.767 20 30 CHEDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876545843 1124959829 /nfs/dbraw/zinc/95/98/29/1124959829.db2.gz VUFUEBSKCYQVMK-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876545843 1124959832 /nfs/dbraw/zinc/95/98/32/1124959832.db2.gz VUFUEBSKCYQVMK-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000877981073 1125111298 /nfs/dbraw/zinc/11/12/98/1125111298.db2.gz PINYZCWUJVZABU-OAHLLOKOSA-N 1 2 287.407 3.668 20 30 CHEDLO C#CCCCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000877981073 1125111300 /nfs/dbraw/zinc/11/13/00/1125111300.db2.gz PINYZCWUJVZABU-OAHLLOKOSA-N 1 2 287.407 3.668 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1scnc1Cl ZINC000878386114 1125147803 /nfs/dbraw/zinc/14/78/03/1125147803.db2.gz ODZFJTDMKNKJNN-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1scnc1Cl ZINC000878386114 1125147807 /nfs/dbraw/zinc/14/78/07/1125147807.db2.gz ODZFJTDMKNKJNN-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000878813826 1125180956 /nfs/dbraw/zinc/18/09/56/1125180956.db2.gz REKSRGGKGHXMTG-CQSZACIVSA-N 1 2 276.330 3.699 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000878813826 1125180959 /nfs/dbraw/zinc/18/09/59/1125180959.db2.gz REKSRGGKGHXMTG-CQSZACIVSA-N 1 2 276.330 3.699 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000880389160 1125270947 /nfs/dbraw/zinc/27/09/47/1125270947.db2.gz DBRWYSRKHASZCI-OAHLLOKOSA-N 1 2 273.405 3.725 20 30 CHEDLO Cc1ccoc1C(=O)/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783709949 1125285873 /nfs/dbraw/zinc/28/58/73/1125285873.db2.gz XQCNDRACEHMYGW-IHWYPQMZSA-N 1 2 284.340 3.731 20 30 CHEDLO Cc1cc(NCc2ccc(C3(C#N)CC3)cc2)c[nH+]c1C ZINC000883341724 1125398315 /nfs/dbraw/zinc/39/83/15/1125398315.db2.gz YGUIWZILHOPCQL-UHFFFAOYSA-N 1 2 277.371 3.866 20 30 CHEDLO C=CCSCCNc1[nH+]c2ccccc2cc1C ZINC000225353476 1125405849 /nfs/dbraw/zinc/40/58/49/1125405849.db2.gz XHUYHMJQBOROOP-UHFFFAOYSA-N 1 2 258.390 3.874 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c(F)c1 ZINC000883382300 1125406631 /nfs/dbraw/zinc/40/66/31/1125406631.db2.gz DKVJQRFBRKXWFV-FUHWJXTLSA-N 1 2 298.336 3.813 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(F)cc1F ZINC000133174557 1125434859 /nfs/dbraw/zinc/43/48/59/1125434859.db2.gz XMBIVVMEVJPYMU-FNORWQNLSA-N 1 2 284.265 3.509 20 30 CHEDLO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000125272843 1125445974 /nfs/dbraw/zinc/44/59/74/1125445974.db2.gz SLTSDKWTSFJADY-QGZVFWFLSA-N 1 2 297.402 3.702 20 30 CHEDLO C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000125272843 1125445976 /nfs/dbraw/zinc/44/59/76/1125445976.db2.gz SLTSDKWTSFJADY-QGZVFWFLSA-N 1 2 297.402 3.702 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccccc1 ZINC000639566613 1129324528 /nfs/dbraw/zinc/32/45/28/1129324528.db2.gz VPFMXMFOQHPHOR-MRXNPFEDSA-N 1 2 297.402 3.819 20 30 CHEDLO CC(C)(C/[NH+]=C\c1cccc(O)c1O)Cc1ccccc1 ZINC000735229283 1129335961 /nfs/dbraw/zinc/33/59/61/1129335961.db2.gz XUQIFRVBIRWCOF-UNOMPAQXSA-N 1 2 283.371 3.786 20 30 CHEDLO COc1cccc(/C=[NH+]/CCc2cc(C)cc(C)c2)c1O ZINC000740763612 1129419146 /nfs/dbraw/zinc/41/91/46/1129419146.db2.gz MOHNDMDWVHHBFR-XDHOZWIPSA-N 1 2 283.371 3.679 20 30 CHEDLO Cc1cccc([C@@H](C)C/[NH+]=C/c2cccc(O)c2O)c1 ZINC000741164859 1129430919 /nfs/dbraw/zinc/43/09/19/1129430919.db2.gz BQVVKKVNOQZACA-FHXOWUIVSA-N 1 2 269.344 3.629 20 30 CHEDLO Cc1cccc([C@@H](C)C/[NH+]=C\c2cccc(O)c2O)c1 ZINC000741164858 1129431019 /nfs/dbraw/zinc/43/10/19/1129431019.db2.gz BQVVKKVNOQZACA-FHNWIRHTSA-N 1 2 269.344 3.629 20 30 CHEDLO CC[C@@H](C/[NH+]=C\c1cccc(O)c1O)c1ccccc1 ZINC000743340823 1129519729 /nfs/dbraw/zinc/51/97/29/1129519729.db2.gz LOJBKFOQSZHVGC-CYUIRQCWSA-N 1 2 269.344 3.711 20 30 CHEDLO COc1ccccc1C(C)(C)C/[NH+]=C\c1ccccc1O ZINC000745021837 1129592732 /nfs/dbraw/zinc/59/27/32/1129592732.db2.gz SKUXNFIBVCKPAZ-UNOMPAQXSA-N 1 2 283.371 3.798 20 30 CHEDLO C=CCCCC[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000649314350 1129640630 /nfs/dbraw/zinc/64/06/30/1129640630.db2.gz BUSBSOAZNGIHKI-UHFFFAOYSA-N 1 2 264.457 3.539 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cn2cccc(C)c2n1 ZINC001169016229 1129690172 /nfs/dbraw/zinc/69/01/72/1129690172.db2.gz JJPGZBZKPOUIJM-UHFFFAOYSA-N 1 2 292.386 3.687 20 30 CHEDLO C#C[C@@](C)(CC)Nc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001169701096 1129748695 /nfs/dbraw/zinc/74/86/95/1129748695.db2.gz AVAMRMWTQOISSD-ZDUSSCGKSA-N 1 2 281.281 3.796 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(Br)c(C)c1 ZINC001169863312 1129762829 /nfs/dbraw/zinc/76/28/29/1129762829.db2.gz IUGXETQQWBYRTM-CYBMUJFWSA-N 1 2 295.224 3.693 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(Br)c(C)c1 ZINC001169863312 1129762831 /nfs/dbraw/zinc/76/28/31/1129762831.db2.gz IUGXETQQWBYRTM-CYBMUJFWSA-N 1 2 295.224 3.693 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000768153520 1129836122 /nfs/dbraw/zinc/83/61/22/1129836122.db2.gz HPVROSJDHUGOFZ-DZGCQCFKSA-N 1 2 260.381 3.775 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000768153520 1129836128 /nfs/dbraw/zinc/83/61/28/1129836128.db2.gz HPVROSJDHUGOFZ-DZGCQCFKSA-N 1 2 260.381 3.775 20 30 CHEDLO O=C1c2cc(Cl)ccc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769614187 1129919575 /nfs/dbraw/zinc/91/95/75/1129919575.db2.gz ISRBECXQCNTYPC-XFXZXTDPSA-N 1 2 294.741 3.810 20 30 CHEDLO Cc1ccoc1C(=O)/C=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000769783914 1129924786 /nfs/dbraw/zinc/92/47/86/1129924786.db2.gz JOPNCDNQCIQQIC-ARJAWSKDSA-N 1 2 286.718 3.785 20 30 CHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1F ZINC000901440419 1129925363 /nfs/dbraw/zinc/92/53/63/1129925363.db2.gz UFYOSBNFTOLHMH-AATRIKPKSA-N 1 2 288.322 3.508 20 30 CHEDLO Cc1cccc(F)c1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000769839699 1129928026 /nfs/dbraw/zinc/92/80/26/1129928026.db2.gz FWMPJTXIQFMKOP-UHFFFAOYSA-N 1 2 298.365 3.575 20 30 CHEDLO Cc1[nH]c(/C=C\C(=O)c2cccc(C)c2C)[nH+]c1C ZINC000901476114 1129928412 /nfs/dbraw/zinc/92/84/12/1129928412.db2.gz DAQYUPMOVQQDQV-HJWRWDBZSA-N 1 2 254.333 3.539 20 30 CHEDLO CCN(C)c1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901479978 1129928828 /nfs/dbraw/zinc/92/88/28/1129928828.db2.gz BHIONAXPFVSIFU-ZHACJKMWSA-N 1 2 297.402 3.816 20 30 CHEDLO Cc1c(C(=O)/C=C/c2c[nH+]cn2C(C)C)cccc1[N+](=O)[O-] ZINC000901481438 1129929201 /nfs/dbraw/zinc/92/92/01/1129929201.db2.gz NJTDRUDXLWOILN-BQYQJAHWSA-N 1 2 299.330 3.577 20 30 CHEDLO CC(C)c1cccc2c1OCC/C(=C/c1c[nH+]cn1C)C2=O ZINC000901485416 1129929683 /nfs/dbraw/zinc/92/96/83/1129929683.db2.gz IZYZEBOABVDSSP-LCYFTJDESA-N 1 2 296.370 3.592 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/CCOc2c(C)cc(C)cc2C1=O ZINC000901485727 1129929708 /nfs/dbraw/zinc/92/97/08/1129929708.db2.gz MTAYEWDGGUSZGP-ZROIWOOFSA-N 1 2 296.370 3.569 20 30 CHEDLO C=CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000769990578 1129934720 /nfs/dbraw/zinc/93/47/20/1129934720.db2.gz URQNXQNQXQYCHH-JTQLQIEISA-N 1 2 255.308 3.677 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4c(cccc4C)C3=O)n2c1 ZINC000771860080 1129994529 /nfs/dbraw/zinc/99/45/29/1129994529.db2.gz PPAPCKFBFWEBLX-RIYZIHGNSA-N 1 2 288.350 3.774 20 30 CHEDLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106408 1130113741 /nfs/dbraw/zinc/11/37/41/1130113741.db2.gz PLKBWROIUKIBNU-NSHDSACASA-N 1 2 278.783 3.693 20 30 CHEDLO CCCCCCCCC[N@H+](C)Cn1ccsc1=O ZINC000746612154 1130119806 /nfs/dbraw/zinc/11/98/06/1130119806.db2.gz RDHFTMAUUDSQBA-UHFFFAOYSA-N 1 2 270.442 3.550 20 30 CHEDLO CCCCCCCCC[N@@H+](C)Cn1ccsc1=O ZINC000746612154 1130119810 /nfs/dbraw/zinc/11/98/10/1130119810.db2.gz RDHFTMAUUDSQBA-UHFFFAOYSA-N 1 2 270.442 3.550 20 30 CHEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)c1 ZINC001239827247 1130127579 /nfs/dbraw/zinc/12/75/79/1130127579.db2.gz DMLBQFAXJGGJLY-UDWIEESQSA-N 1 2 293.370 3.764 20 30 CHEDLO CC[N@@H+](Cc1cc2ccccc2c(Cl)n1)C[C@@H](C)C#N ZINC000788476758 1130189412 /nfs/dbraw/zinc/18/94/12/1130189412.db2.gz SWBPKLBAPYUZSB-LBPRGKRZSA-N 1 2 287.794 3.870 20 30 CHEDLO CC[N@H+](Cc1cc2ccccc2c(Cl)n1)C[C@@H](C)C#N ZINC000788476758 1130189414 /nfs/dbraw/zinc/18/94/14/1130189414.db2.gz SWBPKLBAPYUZSB-LBPRGKRZSA-N 1 2 287.794 3.870 20 30 CHEDLO N#CC1(c2ccc(-c3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001240219397 1130237139 /nfs/dbraw/zinc/23/71/39/1130237139.db2.gz KLCWCPQUTMZWEC-UHFFFAOYSA-N 1 2 259.312 3.556 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2cccc(C)c2)c1 ZINC000749103853 1130264098 /nfs/dbraw/zinc/26/40/98/1130264098.db2.gz DJTAJGCEQYCERE-CPNJWEJPSA-N 1 2 283.371 3.761 20 30 CHEDLO O=C1c2c([nH]c3ccc(Cl)cc32)CC/C1=C\c1[nH]cc[nH+]1 ZINC000790604464 1130322355 /nfs/dbraw/zinc/32/23/55/1130322355.db2.gz VFEYWRNVIPSYTE-VQHVLOKHSA-N 1 2 297.745 3.757 20 30 CHEDLO Cc1c(C#N)c(-c2ccn3cc[nH+]c3c2)nc2ccccc12 ZINC001240504838 1130334720 /nfs/dbraw/zinc/33/47/20/1130334720.db2.gz ZALGKXNXDNFJLI-UHFFFAOYSA-N 1 2 284.322 3.730 20 30 CHEDLO CC(=[NH+]Nc1cccc2ccccc21)c1csc(N)n1 ZINC000747059999 1130440532 /nfs/dbraw/zinc/44/05/32/1130440532.db2.gz FNVCMUIPSIELMZ-UHFFFAOYSA-N 1 2 282.372 3.715 20 30 CHEDLO C=CCCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001170301296 1130477116 /nfs/dbraw/zinc/47/71/16/1130477116.db2.gz NQAOTJIODJPPON-UHFFFAOYSA-N 1 2 269.270 3.960 20 30 CHEDLO C(#Cc1ccccc1)CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001170426180 1130520864 /nfs/dbraw/zinc/52/08/64/1130520864.db2.gz NWHSNEHSLSHGJS-UHFFFAOYSA-N 1 2 299.377 3.531 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137376924 1130533885 /nfs/dbraw/zinc/53/38/85/1130533885.db2.gz WKGXLOUCCMGIPZ-UHFFFAOYSA-N 1 2 261.413 3.828 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137376924 1130533888 /nfs/dbraw/zinc/53/38/88/1130533888.db2.gz WKGXLOUCCMGIPZ-UHFFFAOYSA-N 1 2 261.413 3.828 20 30 CHEDLO Cc1cc(NCC#Cc2ccccc2)ccc1[NH+](C)C ZINC001170429983 1130543890 /nfs/dbraw/zinc/54/38/90/1130543890.db2.gz UHBUPWFUMPLXGN-UHFFFAOYSA-N 1 2 264.372 3.525 20 30 CHEDLO CN(c1ccc(F)cc1)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC001234268692 1130626679 /nfs/dbraw/zinc/62/66/79/1130626679.db2.gz IHVRUMQFFUNZAS-UHFFFAOYSA-N 1 2 297.377 3.939 20 30 CHEDLO CN(c1ccc(F)cc1)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001234268692 1130626682 /nfs/dbraw/zinc/62/66/82/1130626682.db2.gz IHVRUMQFFUNZAS-UHFFFAOYSA-N 1 2 297.377 3.939 20 30 CHEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(F)cc1N(C)C ZINC000759201287 1130643195 /nfs/dbraw/zinc/64/31/95/1130643195.db2.gz GTNSAHKMMSQROE-UHFFFAOYSA-N 1 2 296.349 3.599 20 30 CHEDLO C[C@H](C[C@@H]1CCOC1)/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000759643621 1130665947 /nfs/dbraw/zinc/66/59/47/1130665947.db2.gz NSLFHKCHASXKHC-VIGDKKSZSA-N 1 2 283.371 3.779 20 30 CHEDLO C[C@H](C[C@H]1CCOC1)/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000759643618 1130666230 /nfs/dbraw/zinc/66/62/30/1130666230.db2.gz NSLFHKCHASXKHC-LDZPMVRZSA-N 1 2 283.371 3.779 20 30 CHEDLO C=C(Br)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000781930119 1130750551 /nfs/dbraw/zinc/75/05/51/1130750551.db2.gz UGDGORVRDSCXBQ-UHFFFAOYSA-N 1 2 280.209 3.559 20 30 CHEDLO C=C(Br)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000781930119 1130750555 /nfs/dbraw/zinc/75/05/55/1130750555.db2.gz UGDGORVRDSCXBQ-UHFFFAOYSA-N 1 2 280.209 3.559 20 30 CHEDLO N#CCc1ccccc1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001235525908 1130752144 /nfs/dbraw/zinc/75/21/44/1130752144.db2.gz SJKQCVCQGOVAMZ-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO N#CCc1ccccc1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001235525908 1130752149 /nfs/dbraw/zinc/75/21/49/1130752149.db2.gz SJKQCVCQGOVAMZ-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO CS[C@@H](C/[NH+]=C\c1ccccc1O)C(C)(C)C ZINC000783682597 1130847531 /nfs/dbraw/zinc/84/75/31/1130847531.db2.gz XTRFMEIKADJQRB-GRRFOWRYSA-N 1 2 251.395 3.589 20 30 CHEDLO Fc1cccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783833351 1130857613 /nfs/dbraw/zinc/85/76/13/1130857613.db2.gz WYEYHMXPGPOQMV-UHFFFAOYSA-N 1 2 286.335 3.519 20 30 CHEDLO CCC(=[NH+]Nc1c(C)cccc1F)c1cccc(N)c1 ZINC000814904939 1130934086 /nfs/dbraw/zinc/93/40/86/1130934086.db2.gz GJADKLKWJUNLOH-UHFFFAOYSA-N 1 2 271.339 3.943 20 30 CHEDLO CCC(=[NH+]NCCC(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000814920348 1130936892 /nfs/dbraw/zinc/93/68/92/1130936892.db2.gz LAYOHAGRTHWNIE-UHFFFAOYSA-N 1 2 293.720 3.578 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237019294 1131035917 /nfs/dbraw/zinc/03/59/17/1131035917.db2.gz ZHTJJJBWYKFXCZ-ZDUSSCGKSA-N 1 2 297.789 3.747 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237019294 1131035923 /nfs/dbraw/zinc/03/59/23/1131035923.db2.gz ZHTJJJBWYKFXCZ-ZDUSSCGKSA-N 1 2 297.789 3.747 20 30 CHEDLO CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001237028792 1131039149 /nfs/dbraw/zinc/03/91/49/1131039149.db2.gz MFGYGSJELNXXJZ-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001237028792 1131039155 /nfs/dbraw/zinc/03/91/55/1131039155.db2.gz MFGYGSJELNXXJZ-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1ccc(C)cc1 ZINC000799129485 1131073483 /nfs/dbraw/zinc/07/34/83/1131073483.db2.gz OSENRJJRGUUAPZ-UHFFFAOYSA-N 1 2 286.419 3.922 20 30 CHEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1ccc(C)cc1 ZINC000799129485 1131073488 /nfs/dbraw/zinc/07/34/88/1131073488.db2.gz OSENRJJRGUUAPZ-UHFFFAOYSA-N 1 2 286.419 3.922 20 30 CHEDLO C=CCCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816570837 1131112413 /nfs/dbraw/zinc/11/24/13/1131112413.db2.gz IZVQECZPNFASQD-UHFFFAOYSA-N 1 2 257.736 3.631 20 30 CHEDLO N#CCC[N@H+](Cc1cnc(C2CC2)s1)C1CCCC1 ZINC001237789035 1131141496 /nfs/dbraw/zinc/14/14/96/1131141496.db2.gz GTMIRZAUUWVYKM-UHFFFAOYSA-N 1 2 275.421 3.679 20 30 CHEDLO N#CCC[N@@H+](Cc1cnc(C2CC2)s1)C1CCCC1 ZINC001237789035 1131141499 /nfs/dbraw/zinc/14/14/99/1131141499.db2.gz GTMIRZAUUWVYKM-UHFFFAOYSA-N 1 2 275.421 3.679 20 30 CHEDLO C=C(Br)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817282324 1131151277 /nfs/dbraw/zinc/15/12/77/1131151277.db2.gz ZPZVCACBBGULSF-VIFPVBQESA-N 1 2 286.135 3.559 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817282324 1131151280 /nfs/dbraw/zinc/15/12/80/1131151280.db2.gz ZPZVCACBBGULSF-VIFPVBQESA-N 1 2 286.135 3.559 20 30 CHEDLO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001238626585 1131224138 /nfs/dbraw/zinc/22/41/38/1131224138.db2.gz UTMBZDMAXCWMGR-MRXNPFEDSA-N 1 2 291.398 3.793 20 30 CHEDLO Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001238626585 1131224145 /nfs/dbraw/zinc/22/41/45/1131224145.db2.gz UTMBZDMAXCWMGR-MRXNPFEDSA-N 1 2 291.398 3.793 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NC1CCC(C)(C#N)CC1 ZINC000823495564 1131430222 /nfs/dbraw/zinc/43/02/22/1131430222.db2.gz QVSSFGAKMQDZCM-UHFFFAOYSA-N 1 2 271.408 3.945 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+]C1CCC(C)(C#N)CC1 ZINC000823495564 1131430223 /nfs/dbraw/zinc/43/02/23/1131430223.db2.gz QVSSFGAKMQDZCM-UHFFFAOYSA-N 1 2 271.408 3.945 20 30 CHEDLO C=CCc1cccc(C[N@@H+]2CCC[C@H](F)C(F)(F)C2)c1O ZINC001138624338 1131528706 /nfs/dbraw/zinc/52/87/06/1131528706.db2.gz DWSYACSZYQZZIT-AWEZNQCLSA-N 1 2 299.336 3.690 20 30 CHEDLO C=CCc1cccc(C[N@H+]2CCC[C@H](F)C(F)(F)C2)c1O ZINC001138624338 1131528709 /nfs/dbraw/zinc/52/87/09/1131528709.db2.gz DWSYACSZYQZZIT-AWEZNQCLSA-N 1 2 299.336 3.690 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cccn1-c1ccccc1F ZINC001138633997 1131531349 /nfs/dbraw/zinc/53/13/49/1131531349.db2.gz LNZCLALIWSVKGU-UHFFFAOYSA-N 1 2 285.366 3.742 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cccn1-c1ccccc1F ZINC001138633997 1131531352 /nfs/dbraw/zinc/53/13/52/1131531352.db2.gz LNZCLALIWSVKGU-UHFFFAOYSA-N 1 2 285.366 3.742 20 30 CHEDLO COc1c(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001143848426 1131539762 /nfs/dbraw/zinc/53/97/62/1131539762.db2.gz YDUFYVDWZICQIV-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001143848426 1131539764 /nfs/dbraw/zinc/53/97/64/1131539764.db2.gz YDUFYVDWZICQIV-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138836962 1131554629 /nfs/dbraw/zinc/55/46/29/1131554629.db2.gz UNWLLSQDUZEIEX-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138836962 1131554634 /nfs/dbraw/zinc/55/46/34/1131554634.db2.gz UNWLLSQDUZEIEX-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2ccc(C)cc2nc1Cl ZINC001138861361 1131556050 /nfs/dbraw/zinc/55/60/50/1131556050.db2.gz DCQWJMWMSJMWJQ-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2ccc(C)cc2nc1Cl ZINC001138861361 1131556052 /nfs/dbraw/zinc/55/60/52/1131556052.db2.gz DCQWJMWMSJMWJQ-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO N#CCC[N@H+](Cc1cncc(C#N)c1)C1CCCCCCC1 ZINC001144080083 1131582039 /nfs/dbraw/zinc/58/20/39/1131582039.db2.gz UXGQEPBGJAPNQQ-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO N#CCC[N@@H+](Cc1cncc(C#N)c1)C1CCCCCCC1 ZINC001144080083 1131582042 /nfs/dbraw/zinc/58/20/42/1131582042.db2.gz UXGQEPBGJAPNQQ-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417434 1131608277 /nfs/dbraw/zinc/60/82/77/1131608277.db2.gz HDTJFLVTPRYTBX-LBPRGKRZSA-N 1 2 286.762 3.945 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417434 1131608278 /nfs/dbraw/zinc/60/82/78/1131608278.db2.gz HDTJFLVTPRYTBX-LBPRGKRZSA-N 1 2 286.762 3.945 20 30 CHEDLO C=C(C)[C@@H]1CC=C(COC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000845486601 1131636897 /nfs/dbraw/zinc/63/68/97/1131636897.db2.gz XZEZVYVVNXJIFI-GOEBONIOSA-N 1 2 288.391 3.680 20 30 CHEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3Cc4cccc(F)c4C3)c2c1 ZINC001140115015 1131665639 /nfs/dbraw/zinc/66/56/39/1131665639.db2.gz JPVMDMNOGHKWNX-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#Cc1ccc2[nH]cc(C[N@H+]3Cc4cccc(F)c4C3)c2c1 ZINC001140115015 1131665640 /nfs/dbraw/zinc/66/56/40/1131665640.db2.gz JPVMDMNOGHKWNX-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(F)c(C)c(Br)c1 ZINC001140553764 1131790995 /nfs/dbraw/zinc/79/09/95/1131790995.db2.gz JNJHLLLGOXTVDL-UHFFFAOYSA-N 1 2 299.187 3.632 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(F)c(C)c(Br)c1 ZINC001140553764 1131791003 /nfs/dbraw/zinc/79/10/03/1131791003.db2.gz JNJHLLLGOXTVDL-UHFFFAOYSA-N 1 2 299.187 3.632 20 30 CHEDLO C=CC[N@@H+](Cc1c(O)cc(F)cc1F)C1CCCCC1 ZINC001140585950 1131812247 /nfs/dbraw/zinc/81/22/47/1131812247.db2.gz XBWZDJCOWKEHLA-UHFFFAOYSA-N 1 2 281.346 3.991 20 30 CHEDLO C=CC[N@H+](Cc1c(O)cc(F)cc1F)C1CCCCC1 ZINC001140585950 1131812258 /nfs/dbraw/zinc/81/22/58/1131812258.db2.gz XBWZDJCOWKEHLA-UHFFFAOYSA-N 1 2 281.346 3.991 20 30 CHEDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1Cl ZINC001140600399 1131821208 /nfs/dbraw/zinc/82/12/08/1131821208.db2.gz JUQGHSLOQVBECY-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1Cl ZINC001140600399 1131821215 /nfs/dbraw/zinc/82/12/15/1131821215.db2.gz JUQGHSLOQVBECY-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](C)CC(C)(C)S)cc2[nH+]1 ZINC001228329539 1131859016 /nfs/dbraw/zinc/85/90/16/1131859016.db2.gz NAMLJIBNNXCCDD-VIFPVBQESA-N 1 2 264.394 3.737 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1cccc[nH+]1 ZINC001171368557 1131918029 /nfs/dbraw/zinc/91/80/29/1131918029.db2.gz HGHWFFRSHCZIEO-CYBMUJFWSA-N 1 2 254.333 3.820 20 30 CHEDLO N#Cc1cccc(C[N@H+](Cc2ccco2)C2CC2)c1Cl ZINC001140812679 1131933079 /nfs/dbraw/zinc/93/30/79/1131933079.db2.gz GMKHPFUOEXNDMP-UHFFFAOYSA-N 1 2 286.762 3.969 20 30 CHEDLO N#Cc1cccc(C[N@@H+](Cc2ccco2)C2CC2)c1Cl ZINC001140812679 1131933084 /nfs/dbraw/zinc/93/30/84/1131933084.db2.gz GMKHPFUOEXNDMP-UHFFFAOYSA-N 1 2 286.762 3.969 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141120275 1132023201 /nfs/dbraw/zinc/02/32/01/1132023201.db2.gz NNYONOXRUUCBKU-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141120275 1132023204 /nfs/dbraw/zinc/02/32/04/1132023204.db2.gz NNYONOXRUUCBKU-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1C#N)CC2 ZINC001141164212 1132033028 /nfs/dbraw/zinc/03/30/28/1132033028.db2.gz QGIDMLOVCGTMQB-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1C#N)CC2 ZINC001141164212 1132033037 /nfs/dbraw/zinc/03/30/37/1132033037.db2.gz QGIDMLOVCGTMQB-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CCCCCCCCOC(=O)C[NH2+][C@H](C)CCCC#N ZINC001172483004 1132229541 /nfs/dbraw/zinc/22/95/41/1132229541.db2.gz BRZAYHGEEKJRQW-OAHLLOKOSA-N 1 2 282.428 3.562 20 30 CHEDLO CCCCCCCC[C@H](CC)[NH2+]C1(C(=O)OC)CC1 ZINC001172505348 1132254554 /nfs/dbraw/zinc/25/45/54/1132254554.db2.gz LTLNOZKBMCQCHA-AWEZNQCLSA-N 1 2 269.429 3.811 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCC[C@H]1CCOC1 ZINC000840708683 1132272674 /nfs/dbraw/zinc/27/26/74/1132272674.db2.gz DAGZOMXEXOPEHS-BXUJETTOSA-N 1 2 283.371 3.781 20 30 CHEDLO CC1(C#N)C[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172546706 1132280984 /nfs/dbraw/zinc/28/09/84/1132280984.db2.gz QEKUHUGHRXUJGS-HZPDHXFCSA-N 1 2 254.377 3.558 20 30 CHEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172654569 1132288912 /nfs/dbraw/zinc/28/89/12/1132288912.db2.gz HZWFCPSQWVBJHA-INIZCTEOSA-N 1 2 266.429 3.641 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(C)o2)cc1 ZINC001231596761 1132324068 /nfs/dbraw/zinc/32/40/68/1132324068.db2.gz AQVVHFNXGQJKFD-UHFFFAOYSA-N 1 2 268.360 3.991 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(C)o2)cc1 ZINC001231596761 1132324077 /nfs/dbraw/zinc/32/40/77/1132324077.db2.gz AQVVHFNXGQJKFD-UHFFFAOYSA-N 1 2 268.360 3.991 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142115157 1132327688 /nfs/dbraw/zinc/32/76/88/1132327688.db2.gz ZJJSTXPVGKBRRV-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115046 1132327343 /nfs/dbraw/zinc/32/73/43/1132327343.db2.gz VEYHBWXNRDISEA-SNVBAGLBSA-N 1 2 284.186 3.544 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115046 1132327353 /nfs/dbraw/zinc/32/73/53/1132327353.db2.gz VEYHBWXNRDISEA-SNVBAGLBSA-N 1 2 284.186 3.544 20 30 CHEDLO Cc1csc2sc(C[N@H+](C)CCC#N)c(C)c12 ZINC001231828289 1132374525 /nfs/dbraw/zinc/37/45/25/1132374525.db2.gz FONGVUXXYLFNNN-UHFFFAOYSA-N 1 2 264.419 3.925 20 30 CHEDLO Cc1csc2sc(C[N@@H+](C)CCC#N)c(C)c12 ZINC001231828289 1132374533 /nfs/dbraw/zinc/37/45/33/1132374533.db2.gz FONGVUXXYLFNNN-UHFFFAOYSA-N 1 2 264.419 3.925 20 30 CHEDLO CC([NH2+]Nc1c(F)cccc1Cl)=C1CC1(F)F ZINC000841634460 1132380131 /nfs/dbraw/zinc/38/01/31/1132380131.db2.gz QFMFBKNBDLJYJY-SSDOTTSWSA-N 1 2 262.662 3.922 20 30 CHEDLO Cc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1OC(C)C ZINC001232394310 1132463841 /nfs/dbraw/zinc/46/38/41/1132463841.db2.gz MZKABBRLXWRYRR-QGZVFWFLSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1OC(C)C ZINC001232394310 1132463846 /nfs/dbraw/zinc/46/38/46/1132463846.db2.gz MZKABBRLXWRYRR-QGZVFWFLSA-N 1 2 272.392 3.518 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc(F)c(C)cc1Br ZINC001232467213 1132475135 /nfs/dbraw/zinc/47/51/35/1132475135.db2.gz AKOMLBSDXXQHHO-UHFFFAOYSA-N 1 2 272.161 3.514 20 30 CHEDLO C=CC[N@H+](C)Cc1cc(F)c(C)cc1Br ZINC001232467213 1132475140 /nfs/dbraw/zinc/47/51/40/1132475140.db2.gz AKOMLBSDXXQHHO-UHFFFAOYSA-N 1 2 272.161 3.514 20 30 CHEDLO C#CC[N@@H+](Cc1cccc(O)c1F)[C@@H]1CCc2ccccc21 ZINC001233053265 1132567664 /nfs/dbraw/zinc/56/76/64/1132567664.db2.gz MKFCLPFUJOEROH-QGZVFWFLSA-N 1 2 295.357 3.654 20 30 CHEDLO C#CC[N@H+](Cc1cccc(O)c1F)[C@@H]1CCc2ccccc21 ZINC001233053265 1132567667 /nfs/dbraw/zinc/56/76/67/1132567667.db2.gz MKFCLPFUJOEROH-QGZVFWFLSA-N 1 2 295.357 3.654 20 30 CHEDLO CCCCCCCC[N@H+](C)Cc1nc2ccccn2n1 ZINC001233072573 1132569544 /nfs/dbraw/zinc/56/95/44/1132569544.db2.gz QVPJYERSEVXVQT-UHFFFAOYSA-N 1 2 274.412 3.522 20 30 CHEDLO CCCCCCCC[N@@H+](C)Cc1nc2ccccn2n1 ZINC001233072573 1132569548 /nfs/dbraw/zinc/56/95/48/1132569548.db2.gz QVPJYERSEVXVQT-UHFFFAOYSA-N 1 2 274.412 3.522 20 30 CHEDLO N#CCC1CC[NH+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001233211413 1132580860 /nfs/dbraw/zinc/58/08/60/1132580860.db2.gz UVKGPZMEIJZFOY-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(C#N)cc2C)c(C)[nH+]1 ZINC001203376432 1132589612 /nfs/dbraw/zinc/58/96/12/1132589612.db2.gz LNENJVVEHNCQJG-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445134 1132626370 /nfs/dbraw/zinc/62/63/70/1132626370.db2.gz SBKXGCREGWYLJI-CYBMUJFWSA-N 1 2 285.778 3.624 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445134 1132626372 /nfs/dbraw/zinc/62/63/72/1132626372.db2.gz SBKXGCREGWYLJI-CYBMUJFWSA-N 1 2 285.778 3.624 20 30 CHEDLO N#CCc1cc[nH+]c(NC2CCC(C(F)(F)F)CC2)c1 ZINC001156414242 1132694024 /nfs/dbraw/zinc/69/40/24/1132694024.db2.gz OXQKAPQCIGRKMT-UHFFFAOYSA-N 1 2 283.297 3.681 20 30 CHEDLO Cc1c(F)cc[nH+]c1N1CCC(C#Cc2ccccc2)CC1 ZINC001157528665 1132733516 /nfs/dbraw/zinc/73/35/16/1132733516.db2.gz VRLUCCXRQPRPEU-UHFFFAOYSA-N 1 2 294.373 3.797 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1C#N ZINC001174524603 1132913404 /nfs/dbraw/zinc/91/34/04/1132913404.db2.gz PCSWSPFRRKIVQV-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NCCOC3CCCCC3)c2c1 ZINC001160276631 1132955614 /nfs/dbraw/zinc/95/56/14/1132955614.db2.gz ULJHZLUYJFSWCS-UHFFFAOYSA-N 1 2 295.386 3.868 20 30 CHEDLO C#CCCCNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001162445872 1133078191 /nfs/dbraw/zinc/07/81/91/1133078191.db2.gz RYUKCQDWRWVIDJ-UHFFFAOYSA-N 1 2 275.355 3.851 20 30 CHEDLO CC(C)(C)C(=[NH2+])Nc1nc2ccccc2cc1C#N ZINC001162657914 1133102206 /nfs/dbraw/zinc/10/22/06/1133102206.db2.gz VKSYVTLXKQUWBZ-UHFFFAOYSA-N 1 2 252.321 3.542 20 30 CHEDLO C#C[C@H](C)Nc1cc(SCc2ccccc2)cc[nH+]1 ZINC001163161328 1133132446 /nfs/dbraw/zinc/13/24/46/1133132446.db2.gz GODRUOSRVIVUHM-ZDUSSCGKSA-N 1 2 268.385 3.808 20 30 CHEDLO C[C@H]1CCC[C@H](C)N1c1[nH+]ccc2ccc(C#N)cc21 ZINC001163539752 1133157053 /nfs/dbraw/zinc/15/70/53/1133157053.db2.gz BWXGONYJLZYVOR-STQMWFEESA-N 1 2 265.360 3.874 20 30 CHEDLO CC(C)n1cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cn1 ZINC001163680799 1133165350 /nfs/dbraw/zinc/16/53/50/1133165350.db2.gz WEHNDNGEPULMHL-UHFFFAOYSA-N 1 2 296.296 3.520 20 30 CHEDLO CC(=O)C=C(C)Nc1cc(OCc2ccccc2)cc[nH+]1 ZINC001163733234 1133169511 /nfs/dbraw/zinc/16/95/11/1133169511.db2.gz KLNBRPQTPUSOAF-RAXLEYEMSA-N 1 2 282.343 3.565 20 30 CHEDLO CC(C)c1ccc(CNc2[nH+]cccc2CC#N)cc1 ZINC001163816489 1133176425 /nfs/dbraw/zinc/17/64/25/1133176425.db2.gz FVCHDXMFMBQOCE-UHFFFAOYSA-N 1 2 265.360 3.883 20 30 CHEDLO CC(C)N(CC1CC1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166620050 1133278107 /nfs/dbraw/zinc/27/81/07/1133278107.db2.gz ZPWORJPULZGDSN-UHFFFAOYSA-N 1 2 265.360 3.731 20 30 CHEDLO Cc1cc(N2CCC[C@H](CC#N)C2)[nH+]c2c(C)cccc12 ZINC001166740613 1133283897 /nfs/dbraw/zinc/28/38/97/1133283897.db2.gz NPCGUPGPQPCEJA-OAHLLOKOSA-N 1 2 279.387 3.982 20 30 CHEDLO COc1ccc2[nH+]c(N3CCC[C@@H](CC#N)C3)cc(C)c2c1 ZINC001166742092 1133285016 /nfs/dbraw/zinc/28/50/16/1133285016.db2.gz AQFPDRRDSUROKX-AWEZNQCLSA-N 1 2 295.386 3.682 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CCC[C@@H](C(F)F)C3)c2c1 ZINC001166773987 1133286106 /nfs/dbraw/zinc/28/61/06/1133286106.db2.gz WVYRZXXODSCYBU-CYBMUJFWSA-N 1 2 287.313 3.588 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccccc1OCC ZINC001203541343 1133337807 /nfs/dbraw/zinc/33/78/07/1133337807.db2.gz UDMNZWODZPGHLK-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1OCC ZINC001203541343 1133337813 /nfs/dbraw/zinc/33/78/13/1133337813.db2.gz UDMNZWODZPGHLK-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2c(Cl)cccc2C#N)c1 ZINC001203663032 1133350314 /nfs/dbraw/zinc/35/03/14/1133350314.db2.gz FGCMWORHJAAZOS-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(N3CCCC3)c(C#N)c2)c1 ZINC001203663474 1133351720 /nfs/dbraw/zinc/35/17/20/1133351720.db2.gz LPUVCLNJHAIGIA-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cc(F)c(C#N)c(F)c1 ZINC001203674898 1133352579 /nfs/dbraw/zinc/35/25/79/1133352579.db2.gz WLLBBQOIGNCQQQ-UHFFFAOYSA-N 1 2 273.286 3.846 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203815012 1133373586 /nfs/dbraw/zinc/37/35/86/1133373586.db2.gz ISOXVUFIARYJMD-INIZCTEOSA-N 1 2 278.355 3.824 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203815012 1133373590 /nfs/dbraw/zinc/37/35/90/1133373590.db2.gz ISOXVUFIARYJMD-INIZCTEOSA-N 1 2 278.355 3.824 20 30 CHEDLO COc1ccc(Oc2cccc(C[N@H+](C)CCC#N)c2)cc1 ZINC001203812659 1133374948 /nfs/dbraw/zinc/37/49/48/1133374948.db2.gz BDSRLNFICOROEZ-UHFFFAOYSA-N 1 2 296.370 3.833 20 30 CHEDLO COc1ccc(Oc2cccc(C[N@@H+](C)CCC#N)c2)cc1 ZINC001203812659 1133374953 /nfs/dbraw/zinc/37/49/53/1133374953.db2.gz BDSRLNFICOROEZ-UHFFFAOYSA-N 1 2 296.370 3.833 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204880132 1133495082 /nfs/dbraw/zinc/49/50/82/1133495082.db2.gz YMDDXYRPICBJAI-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204880132 1133495083 /nfs/dbraw/zinc/49/50/83/1133495083.db2.gz YMDDXYRPICBJAI-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO N#Cc1cc(Cl)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204983651 1133512431 /nfs/dbraw/zinc/51/24/31/1133512431.db2.gz YTQWZSWOSHPRBS-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)cncc1F ZINC001206860633 1133757137 /nfs/dbraw/zinc/75/71/37/1133757137.db2.gz IMXQRQDGPAVEEV-UHFFFAOYSA-N 1 2 288.341 3.938 20 30 CHEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)cncc1F ZINC001206860633 1133757141 /nfs/dbraw/zinc/75/71/41/1133757141.db2.gz IMXQRQDGPAVEEV-UHFFFAOYSA-N 1 2 288.341 3.938 20 30 CHEDLO N#Cc1ccc(CCC[N@H+]2CCC[C@@H](F)C(F)(F)C2)cc1 ZINC001208860032 1133954460 /nfs/dbraw/zinc/95/44/60/1133954460.db2.gz FSBCELARNLXWCX-OAHLLOKOSA-N 1 2 296.336 3.560 20 30 CHEDLO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H](F)C(F)(F)C2)cc1 ZINC001208860032 1133954467 /nfs/dbraw/zinc/95/44/67/1133954467.db2.gz FSBCELARNLXWCX-OAHLLOKOSA-N 1 2 296.336 3.560 20 30 CHEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)cc1Cl ZINC001209664941 1134049416 /nfs/dbraw/zinc/04/94/16/1134049416.db2.gz PIHZCCDCKKKDOS-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)cc1Cl ZINC001209664941 1134049422 /nfs/dbraw/zinc/04/94/22/1134049422.db2.gz PIHZCCDCKKKDOS-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1cc(Nc2cccc(C#N)c2)ccc1[NH+](C)C ZINC001210041149 1134131398 /nfs/dbraw/zinc/13/13/98/1134131398.db2.gz JMTKOHSHXLZGBQ-UHFFFAOYSA-N 1 2 251.333 3.676 20 30 CHEDLO Cc1cc(Nc2ccc([NH+](C)C)c(C)c2)ccc1C#N ZINC001210043648 1134133207 /nfs/dbraw/zinc/13/32/07/1134133207.db2.gz PXQCIHVKNJFFGQ-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO N#Cc1cncc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC001210083202 1134143095 /nfs/dbraw/zinc/14/30/95/1134143095.db2.gz HOXWHFCBCJURMJ-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO Cc1cc(Nc2cc[nH+]c3ccc(Cl)cc23)cnc1C#N ZINC001210200951 1134165508 /nfs/dbraw/zinc/16/55/08/1134165508.db2.gz GSKSUVBPXMJUFK-UHFFFAOYSA-N 1 2 294.745 3.629 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C#N)c3ccccc23)cc1N ZINC001210288348 1134186789 /nfs/dbraw/zinc/18/67/89/1134186789.db2.gz NLVUCGCHRCITRY-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001210389635 1134206064 /nfs/dbraw/zinc/20/60/64/1134206064.db2.gz LIMQUTISAOUHNK-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO C[C@@H]1CC(=O)C=C(Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC001210770377 1134292005 /nfs/dbraw/zinc/29/20/05/1134292005.db2.gz LSZFOXYWOHWLAT-ZDUSSCGKSA-N 1 2 270.376 3.582 20 30 CHEDLO C[C@@H]1CC(=O)C=C(Nc2cc[nH+]c(C3CCC3)c2)C1 ZINC001210770994 1134292437 /nfs/dbraw/zinc/29/24/37/1134292437.db2.gz IINHTECRLWPABM-NSHDSACASA-N 1 2 256.349 3.644 20 30 CHEDLO COc1cc(Nc2cc(C#N)ccc2Cl)cc(C)[nH+]1 ZINC001210780523 1134294920 /nfs/dbraw/zinc/29/49/20/1134294920.db2.gz CHOVFPLZYUDACG-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1C#N ZINC001210806072 1134299508 /nfs/dbraw/zinc/29/95/08/1134299508.db2.gz QNBODRLPGYLHHG-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1cc(Nc2[nH+]cccc2N2CCCC2)ccc1C#N ZINC001210810266 1134301538 /nfs/dbraw/zinc/30/15/38/1134301538.db2.gz YDBWHYQYAZNFOD-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO CC#Cc1cncc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001211055400 1134357779 /nfs/dbraw/zinc/35/77/79/1134357779.db2.gz ROTLQUPEDXFJHT-UHFFFAOYSA-N 1 2 292.386 3.582 20 30 CHEDLO N#Cc1ccc(F)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089083 1134425424 /nfs/dbraw/zinc/42/54/24/1134425424.db2.gz SVGDPNMCRJNTBN-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1cccc(C2(C#N)CC2)c1 ZINC001213313698 1134440577 /nfs/dbraw/zinc/44/05/77/1134440577.db2.gz BNPCKZZEWPFVKH-UHFFFAOYSA-N 1 2 279.343 3.779 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)cc(F)c2C#N)c[nH+]1 ZINC001213520967 1134458881 /nfs/dbraw/zinc/45/88/81/1134458881.db2.gz NABKXSWUUVBIAK-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO COc1cc(C#N)ccc1Nc1cc(C2CC2)c[nH+]c1C ZINC001213499465 1134455068 /nfs/dbraw/zinc/45/50/68/1134455068.db2.gz KLKJYKOXILBYLJ-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)c(F)cc2C#N)c[nH+]1 ZINC001213518530 1134458559 /nfs/dbraw/zinc/45/85/59/1134458559.db2.gz SVPIULDTMQWLPJ-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CCN(C)c1ccc(Nc2c(C)cc(C#N)cc2C)c[nH+]1 ZINC001215646001 1134655541 /nfs/dbraw/zinc/65/55/41/1134655541.db2.gz HMGNAVDDLQJZJP-UHFFFAOYSA-N 1 2 280.375 3.770 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(C)c(C#N)c2)c1 ZINC001216074814 1134767336 /nfs/dbraw/zinc/76/73/36/1134767336.db2.gz XNJPQMVHEQKZGH-UHFFFAOYSA-N 1 2 251.333 3.958 20 30 CHEDLO N#Cc1cccc(Nc2ccccc2-n2cc[nH+]c2)c1F ZINC001216415810 1134889045 /nfs/dbraw/zinc/88/90/45/1134889045.db2.gz UTHWFSMKERFMPQ-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO C=CCCCN(CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001219009747 1135124961 /nfs/dbraw/zinc/12/49/61/1135124961.db2.gz MBNNZIJMVKKQDM-UHFFFAOYSA-N 1 2 275.396 3.827 20 30 CHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219557232 1135135579 /nfs/dbraw/zinc/13/55/79/1135135579.db2.gz UHYYUHFVJAQIAB-UKRRQHHQSA-N 1 2 298.390 3.591 20 30 CHEDLO C=C[C@@H](CCCCCCC)OCCn1cc[nH+]c1 ZINC001222139500 1135198950 /nfs/dbraw/zinc/19/89/50/1135198950.db2.gz URDGWGSSQRSFRN-HNNXBMFYSA-N 1 2 250.386 3.815 20 30 CHEDLO C=CC[C@H](OCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC001222600950 1135255275 /nfs/dbraw/zinc/25/52/75/1135255275.db2.gz WIRANNHALCVJCL-HNNXBMFYSA-N 1 2 276.767 3.908 20 30 CHEDLO Cc1cc2[nH+]ccn2cc1-c1c(C)cc(C#N)cc1C ZINC001222657422 1135260581 /nfs/dbraw/zinc/26/05/81/1135260581.db2.gz UCLLLRMBXGEKSE-UHFFFAOYSA-N 1 2 261.328 3.798 20 30 CHEDLO CC[C@@H](C#Cc1ccccc1)Oc1c(C)cc[nH+]c1C ZINC001227262476 1135813384 /nfs/dbraw/zinc/81/33/84/1135813384.db2.gz PNHNYVRYQNSCGR-KRWDZBQOSA-N 1 2 265.356 3.908 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346979588 226003834 /nfs/dbraw/zinc/00/38/34/226003834.db2.gz MGWCBNJFDZAISW-QGZVFWFLSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346979588 226003839 /nfs/dbraw/zinc/00/38/39/226003839.db2.gz MGWCBNJFDZAISW-QGZVFWFLSA-N 1 2 297.789 3.944 20 30 CHEDLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352822726 227258666 /nfs/dbraw/zinc/25/86/66/227258666.db2.gz LDRODNLDTHSHSJ-NSHDSACASA-N 1 2 297.383 3.920 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131159 228193597 /nfs/dbraw/zinc/19/35/97/228193597.db2.gz LHUSZOMNPGNMAH-SWLSCSKDSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131159 228193598 /nfs/dbraw/zinc/19/35/98/228193598.db2.gz LHUSZOMNPGNMAH-SWLSCSKDSA-N 1 2 299.805 3.803 20 30 CHEDLO Cc1nc(C)c(C[N@@H+](CCC#N)CCC(C)C)s1 ZINC000072691100 260277884 /nfs/dbraw/zinc/27/78/84/260277884.db2.gz WJVGMXZUGXCJHC-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO Cc1nc(C)c(C[N@H+](CCC#N)CCC(C)C)s1 ZINC000072691100 260277886 /nfs/dbraw/zinc/27/78/86/260277886.db2.gz WJVGMXZUGXCJHC-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO N#CCC[N@H+](CCCc1ccccc1)Cc1ccco1 ZINC000078666544 260301603 /nfs/dbraw/zinc/30/16/03/260301603.db2.gz SRKNYFQSZWJLSM-UHFFFAOYSA-N 1 2 268.360 3.628 20 30 CHEDLO N#CCC[N@@H+](CCCc1ccccc1)Cc1ccco1 ZINC000078666544 260301604 /nfs/dbraw/zinc/30/16/04/260301604.db2.gz SRKNYFQSZWJLSM-UHFFFAOYSA-N 1 2 268.360 3.628 20 30 CHEDLO N#Cc1cc(NCc2[nH]cc[nH+]2)ccc1Oc1ccccc1 ZINC000428403841 260935470 /nfs/dbraw/zinc/93/54/70/260935470.db2.gz LFAGNCGSLCYILZ-UHFFFAOYSA-N 1 2 290.326 3.686 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000448351817 261123838 /nfs/dbraw/zinc/12/38/38/261123838.db2.gz BHKWKIKDRQOMFB-LBPRGKRZSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000448351817 261123839 /nfs/dbraw/zinc/12/38/39/261123839.db2.gz BHKWKIKDRQOMFB-LBPRGKRZSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000361393459 261236922 /nfs/dbraw/zinc/23/69/22/261236922.db2.gz WZEOPDQRFUQTQB-CYBMUJFWSA-N 1 2 270.298 3.641 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000361393459 261236923 /nfs/dbraw/zinc/23/69/23/261236923.db2.gz WZEOPDQRFUQTQB-CYBMUJFWSA-N 1 2 270.298 3.641 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000103143376 261274516 /nfs/dbraw/zinc/27/45/16/261274516.db2.gz YELXUHNMEXQRPX-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000103143376 261274518 /nfs/dbraw/zinc/27/45/18/261274518.db2.gz YELXUHNMEXQRPX-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO CC(C)(CCC#N)C[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000174420669 261570817 /nfs/dbraw/zinc/57/08/17/261570817.db2.gz UXZACLUSBJRQJR-MRXNPFEDSA-N 1 2 288.391 3.596 20 30 CHEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CCCC3)c(F)c2)C1 ZINC000185728149 262068716 /nfs/dbraw/zinc/06/87/16/262068716.db2.gz YGMNZBQCKMSJQQ-ZIAGYGMSSA-N 1 2 287.382 3.920 20 30 CHEDLO C=C(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000187769406 262143262 /nfs/dbraw/zinc/14/32/62/262143262.db2.gz ZUOUTHKKPHWCQN-LRDDRELGSA-N 1 2 289.329 3.615 20 30 CHEDLO N#C[C@H]1CCC[C@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000193186239 262217948 /nfs/dbraw/zinc/21/79/48/262217948.db2.gz FQNUVPMTSAHRGU-STQMWFEESA-N 1 2 284.338 3.506 20 30 CHEDLO N#Cc1cccnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000057988869 262350495 /nfs/dbraw/zinc/35/04/95/262350495.db2.gz RRVHOTSGJMUHCF-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO CC(C)(C)c1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000279691024 263056843 /nfs/dbraw/zinc/05/68/43/263056843.db2.gz BRJHUKVXDWAZSB-UHFFFAOYSA-N 1 2 277.437 3.566 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280263269 263060092 /nfs/dbraw/zinc/06/00/92/263060092.db2.gz PYIFTTMCDIFDEL-AWEZNQCLSA-N 1 2 299.805 3.873 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280263269 263060093 /nfs/dbraw/zinc/06/00/93/263060093.db2.gz PYIFTTMCDIFDEL-AWEZNQCLSA-N 1 2 299.805 3.873 20 30 CHEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1ccccc1C ZINC000281146732 263066814 /nfs/dbraw/zinc/06/68/14/263066814.db2.gz BCHGEPNSHCBALM-UHFFFAOYSA-N 1 2 286.419 3.922 20 30 CHEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1ccccc1C ZINC000281146732 263066815 /nfs/dbraw/zinc/06/68/15/263066815.db2.gz BCHGEPNSHCBALM-UHFFFAOYSA-N 1 2 286.419 3.922 20 30 CHEDLO Cc1nn(C(C)C)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC000281502270 263069617 /nfs/dbraw/zinc/06/96/17/263069617.db2.gz GTMZVQSOPDKOAQ-UHFFFAOYSA-N 1 2 276.428 3.534 20 30 CHEDLO Cc1nn(C(C)C)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000281502270 263069618 /nfs/dbraw/zinc/06/96/18/263069618.db2.gz GTMZVQSOPDKOAQ-UHFFFAOYSA-N 1 2 276.428 3.534 20 30 CHEDLO C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2nccn21 ZINC000296662461 263194834 /nfs/dbraw/zinc/19/48/34/263194834.db2.gz FIKJSRQWINHHLY-VNQPRFMTSA-N 1 2 280.375 3.524 20 30 CHEDLO C=C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000342000178 263375257 /nfs/dbraw/zinc/37/52/57/263375257.db2.gz JWGUWUWVWMGSAK-UHFFFAOYSA-N 1 2 262.422 3.953 20 30 CHEDLO CCSCC[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331340253 264194107 /nfs/dbraw/zinc/19/41/07/264194107.db2.gz SBDRSPYCPJCPQD-NSHDSACASA-N 1 2 295.452 3.864 20 30 CHEDLO COC(C)(C)C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331306486 264201098 /nfs/dbraw/zinc/20/10/98/264201098.db2.gz GFJFNOOYQNAAAN-GFCCVEGCSA-N 1 2 293.411 3.536 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258947 264226062 /nfs/dbraw/zinc/22/60/62/264226062.db2.gz KLTAWUUAVIDBKT-WFASDCNBSA-N 1 2 270.376 3.671 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258947 264226065 /nfs/dbraw/zinc/22/60/65/264226065.db2.gz KLTAWUUAVIDBKT-WFASDCNBSA-N 1 2 270.376 3.671 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nnc(C(C)C)o1)c1ccccc1 ZINC000180045996 264394583 /nfs/dbraw/zinc/39/45/83/264394583.db2.gz UBIUNMGSSDDKGH-HNNXBMFYSA-N 1 2 285.391 3.990 20 30 CHEDLO Cc1cc[nH+]cc1NCc1cccc(OCCCC#N)c1 ZINC000119040233 267294200 /nfs/dbraw/zinc/29/42/00/267294200.db2.gz DHUZNKRCGYRZQH-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO Cc1cc(Br)c(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418140593 267362015 /nfs/dbraw/zinc/36/20/15/267362015.db2.gz JTTGMPDVYTWPJR-UHFFFAOYSA-N 1 2 299.237 3.603 20 30 CHEDLO C=CCN(Cc1cn2ccccc2[nH+]1)Cc1ccccc1F ZINC000124101081 328032427 /nfs/dbraw/zinc/03/24/27/328032427.db2.gz QRIVAYYTJAFGQQ-UHFFFAOYSA-N 1 2 295.361 3.662 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414459340 328180443 /nfs/dbraw/zinc/18/04/43/328180443.db2.gz ZMMXNRIYQYNNDW-UHFFFAOYSA-N 1 2 282.309 3.916 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414459340 328180445 /nfs/dbraw/zinc/18/04/45/328180445.db2.gz ZMMXNRIYQYNNDW-UHFFFAOYSA-N 1 2 282.309 3.916 20 30 CHEDLO COc1ccc(-c2[nH]c3ccc(C)c(C)c3[nH+]2)cc1C#N ZINC000534879096 328367456 /nfs/dbraw/zinc/36/74/56/328367456.db2.gz AJNLYEQBFJWDTL-UHFFFAOYSA-N 1 2 277.327 3.727 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000121410990 328375613 /nfs/dbraw/zinc/37/56/13/328375613.db2.gz ZBFUDOIQLYEGBV-LLVKDONJSA-N 1 2 256.802 3.513 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000121410990 328375614 /nfs/dbraw/zinc/37/56/14/328375614.db2.gz ZBFUDOIQLYEGBV-LLVKDONJSA-N 1 2 256.802 3.513 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000565843035 327035507 /nfs/dbraw/zinc/03/55/07/327035507.db2.gz WUPFOZMSVZMVBP-WDEREUQCSA-N 1 2 292.333 3.774 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl ZINC000559036951 327138730 /nfs/dbraw/zinc/13/87/30/327138730.db2.gz BASBYYCCLLTKRI-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl ZINC000559036951 327138731 /nfs/dbraw/zinc/13/87/31/327138731.db2.gz BASBYYCCLLTKRI-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO CCCCCCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375066552 328999693 /nfs/dbraw/zinc/99/96/93/328999693.db2.gz RWDDZXRKQDEERF-AWEZNQCLSA-N 1 2 277.412 3.824 20 30 CHEDLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(C#N)cc1 ZINC000225307582 329250763 /nfs/dbraw/zinc/25/07/63/329250763.db2.gz NIMPAMKKICFTQC-VIFPVBQESA-N 1 2 277.780 3.519 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1C#N ZINC000186495142 329343244 /nfs/dbraw/zinc/34/32/44/329343244.db2.gz KKZRDMVVFMZKPA-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1C#N ZINC000186495142 329343246 /nfs/dbraw/zinc/34/32/46/329343246.db2.gz KKZRDMVVFMZKPA-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO Cc1cc(N2CCC(c3ccsc3)CC2)c(C#N)c[nH+]1 ZINC000425236827 329646011 /nfs/dbraw/zinc/64/60/11/329646011.db2.gz GGBNRBCCMVHZEZ-UHFFFAOYSA-N 1 2 283.400 3.707 20 30 CHEDLO C=C1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000264486056 330061299 /nfs/dbraw/zinc/06/12/99/330061299.db2.gz RLRWXDLRNSEFLS-UHFFFAOYSA-N 1 2 274.389 3.864 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1c(C)onc1CC ZINC000162593419 330080212 /nfs/dbraw/zinc/08/02/12/330080212.db2.gz UMWZXDBZMMMULR-UHFFFAOYSA-N 1 2 276.405 3.795 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1c(C)onc1CC ZINC000162593419 330080213 /nfs/dbraw/zinc/08/02/13/330080213.db2.gz UMWZXDBZMMMULR-UHFFFAOYSA-N 1 2 276.405 3.795 20 30 CHEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000272456260 330085517 /nfs/dbraw/zinc/08/55/17/330085517.db2.gz QFDZZVFSGOSIKI-UHFFFAOYSA-N 1 2 299.374 3.554 20 30 CHEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000276576135 330114043 /nfs/dbraw/zinc/11/40/43/330114043.db2.gz NYDIULBBABGFAM-ZDUSSCGKSA-N 1 2 271.364 3.696 20 30 CHEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000276576135 330114044 /nfs/dbraw/zinc/11/40/44/330114044.db2.gz NYDIULBBABGFAM-ZDUSSCGKSA-N 1 2 271.364 3.696 20 30 CHEDLO C=CC[C@@H]1N(C(=O)c2ccc3[nH+]ccn3c2)CCCC1(C)C ZINC000278360122 330119504 /nfs/dbraw/zinc/11/95/04/330119504.db2.gz KDENJXZCFZAXQO-HNNXBMFYSA-N 1 2 297.402 3.541 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000527485913 330249360 /nfs/dbraw/zinc/24/93/60/330249360.db2.gz WYTIXBCGYITYCU-INIZCTEOSA-N 1 2 269.348 3.618 20 30 CHEDLO CCCc1cc(N(C)C[C@H](C)C#N)c2ccccc2[nH+]1 ZINC000536985844 330375815 /nfs/dbraw/zinc/37/58/15/330375815.db2.gz YDOZZSFFULBTEW-CYBMUJFWSA-N 1 2 267.376 3.783 20 30 CHEDLO C=C(C)C(C)(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000424596136 330397039 /nfs/dbraw/zinc/39/70/39/330397039.db2.gz GFOBXVBJVIIAKN-UHFFFAOYSA-N 1 2 283.375 3.628 20 30 CHEDLO CCCc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433039814 330613743 /nfs/dbraw/zinc/61/37/43/330613743.db2.gz NQVVJTWMJJQGFP-OAHLLOKOSA-N 1 2 298.390 3.547 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCC(C)C ZINC000449244465 330909342 /nfs/dbraw/zinc/90/93/42/330909342.db2.gz SQWCSKQENZUEFZ-OAHLLOKOSA-N 1 2 260.381 3.503 20 30 CHEDLO CC(C)(CCC#N)CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450528389 330985077 /nfs/dbraw/zinc/98/50/77/330985077.db2.gz PHNXYNGQTAVJBM-UHFFFAOYSA-N 1 2 293.374 3.853 20 30 CHEDLO Cc1cccc(Cl)c1C[N@@H+](C)CC(C)(C)C#N ZINC000451065633 331014640 /nfs/dbraw/zinc/01/46/40/331014640.db2.gz ROLUZKGZCTYNBD-UHFFFAOYSA-N 1 2 250.773 3.630 20 30 CHEDLO Cc1cccc(Cl)c1C[N@H+](C)CC(C)(C)C#N ZINC000451065633 331014641 /nfs/dbraw/zinc/01/46/41/331014641.db2.gz ROLUZKGZCTYNBD-UHFFFAOYSA-N 1 2 250.773 3.630 20 30 CHEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CCCCC1 ZINC000456417582 331192367 /nfs/dbraw/zinc/19/23/67/331192367.db2.gz KRFVGFOHXKLUFZ-KGLIPLIRSA-N 1 2 287.407 3.532 20 30 CHEDLO C=CC[N@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1F ZINC000459330957 331276594 /nfs/dbraw/zinc/27/65/94/331276594.db2.gz SMBWSFNJVYUMNV-UHFFFAOYSA-N 1 2 297.377 3.681 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1F ZINC000459330957 331276595 /nfs/dbraw/zinc/27/65/95/331276595.db2.gz SMBWSFNJVYUMNV-UHFFFAOYSA-N 1 2 297.377 3.681 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459473625 331283602 /nfs/dbraw/zinc/28/36/02/331283602.db2.gz DJKUIUUNCWCRQQ-JTQLQIEISA-N 1 2 254.736 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)s1 ZINC000459693361 331294696 /nfs/dbraw/zinc/29/46/96/331294696.db2.gz FNLJOIPQPFVWHR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)s1 ZINC000459693361 331294697 /nfs/dbraw/zinc/29/46/97/331294697.db2.gz FNLJOIPQPFVWHR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000489477027 332054899 /nfs/dbraw/zinc/05/48/99/332054899.db2.gz NOFLZYMPGREUIP-AWEZNQCLSA-N 1 2 292.448 3.652 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000489477027 332054900 /nfs/dbraw/zinc/05/49/00/332054900.db2.gz NOFLZYMPGREUIP-AWEZNQCLSA-N 1 2 292.448 3.652 20 30 CHEDLO C=C1CC[NH+](Cc2cc(OC)ccc2Br)CC1 ZINC000513489774 333022510 /nfs/dbraw/zinc/02/25/10/333022510.db2.gz JWFHZEPCDLEYRD-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO Cc1cc2[nH+]cn(Cc3cccc(C#N)c3F)c2cc1C ZINC000218809996 333136704 /nfs/dbraw/zinc/13/67/04/333136704.db2.gz AXSGGIUSGQGKCG-UHFFFAOYSA-N 1 2 279.318 3.712 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000186102955 333155057 /nfs/dbraw/zinc/15/50/57/333155057.db2.gz LNOZDYHJFQJMTC-LBPRGKRZSA-N 1 2 297.402 3.992 20 30 CHEDLO COc1cc(C)[nH+]c(CNc2ccc(C#N)cc2Cl)c1 ZINC000219839955 333157965 /nfs/dbraw/zinc/15/79/65/333157965.db2.gz RDUXRGIDRGCONB-UHFFFAOYSA-N 1 2 287.750 3.536 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000190832765 333211355 /nfs/dbraw/zinc/21/13/55/333211355.db2.gz YNEDMPZZBRGDCQ-MRXNPFEDSA-N 1 2 287.338 3.552 20 30 CHEDLO CC(C)COC[C@H]([NH2+]CC#Cc1ccccc1)c1ccco1 ZINC000192176796 333231746 /nfs/dbraw/zinc/23/17/46/333231746.db2.gz OZIDROKFZJNSKE-SFHVURJKSA-N 1 2 297.398 3.635 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1c(F)cccc1F ZINC000229804632 333309839 /nfs/dbraw/zinc/30/98/39/333309839.db2.gz VFYMWEXIGNYWCX-LLVKDONJSA-N 1 2 272.298 3.687 20 30 CHEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(CC)s1 ZINC000230706994 333321171 /nfs/dbraw/zinc/32/11/71/333321171.db2.gz CXEGCKBFQNHQOU-UHFFFAOYSA-N 1 2 288.416 3.560 20 30 CHEDLO N#CC[N@@H+](CCCOc1cccc(Cl)c1)C1CCCC1 ZINC000523438914 333326863 /nfs/dbraw/zinc/32/68/63/333326863.db2.gz XFWYCKHCHWQDKB-UHFFFAOYSA-N 1 2 292.810 3.877 20 30 CHEDLO N#CC[N@H+](CCCOc1cccc(Cl)c1)C1CCCC1 ZINC000523438914 333326865 /nfs/dbraw/zinc/32/68/65/333326865.db2.gz XFWYCKHCHWQDKB-UHFFFAOYSA-N 1 2 292.810 3.877 20 30 CHEDLO CC(C)([NH2+]CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000528605791 333448977 /nfs/dbraw/zinc/44/89/77/333448977.db2.gz XKONPKOWQRLMED-UHFFFAOYSA-N 1 2 285.416 3.815 20 30 CHEDLO C=C1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529529124 333493376 /nfs/dbraw/zinc/49/33/76/333493376.db2.gz MMRJFZUQSMEIKG-UHFFFAOYSA-N 1 2 261.312 3.919 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)o1 ZINC000174238637 335151021 /nfs/dbraw/zinc/15/10/21/335151021.db2.gz LMHJRKYVUIJIRG-UHFFFAOYSA-N 1 2 281.142 3.748 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000130509993 333847887 /nfs/dbraw/zinc/84/78/87/333847887.db2.gz KSJJWCGVEFTWSZ-UHFFFAOYSA-N 1 2 281.359 3.784 20 30 CHEDLO CCCOc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545927777 334006943 /nfs/dbraw/zinc/00/69/43/334006943.db2.gz JOEZHLXAQCZBDP-UHFFFAOYSA-N 1 2 281.359 3.549 20 30 CHEDLO C=CCCCN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000135089765 334115070 /nfs/dbraw/zinc/11/50/70/334115070.db2.gz QYCCKTWQSJOTHX-UHFFFAOYSA-N 1 2 296.370 3.912 20 30 CHEDLO CC#CC[N@H+](C)Cc1csc(Nc2ccccc2C)n1 ZINC000550128284 334213985 /nfs/dbraw/zinc/21/39/85/334213985.db2.gz WJNXOJFJZLXKNA-UHFFFAOYSA-N 1 2 285.416 3.650 20 30 CHEDLO CC#CC[N@@H+](C)Cc1csc(Nc2ccccc2C)n1 ZINC000550128284 334213986 /nfs/dbraw/zinc/21/39/86/334213986.db2.gz WJNXOJFJZLXKNA-UHFFFAOYSA-N 1 2 285.416 3.650 20 30 CHEDLO C[N@H+](Cc1cccc(Cl)c1Cl)CC(C)(C)C#N ZINC000552318090 334316552 /nfs/dbraw/zinc/31/65/52/334316552.db2.gz PFQILPRDLSYQQK-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C[N@@H+](Cc1cccc(Cl)c1Cl)CC(C)(C)C#N ZINC000552318090 334316553 /nfs/dbraw/zinc/31/65/53/334316553.db2.gz PFQILPRDLSYQQK-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000552545989 334334804 /nfs/dbraw/zinc/33/48/04/334334804.db2.gz KCUXNPLFIIRAAW-ZDUSSCGKSA-N 1 2 292.810 3.649 20 30 CHEDLO COc1ccc2c(c1)[nH+]ccc2OCc1ccc(C#N)cc1 ZINC000156992557 334755960 /nfs/dbraw/zinc/75/59/60/334755960.db2.gz BAIJVHDPVJUYFV-UHFFFAOYSA-N 1 2 290.322 3.694 20 30 CHEDLO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(F)c1 ZINC000576523736 335213004 /nfs/dbraw/zinc/21/30/04/335213004.db2.gz OZYCQBLRPYARRW-UHFFFAOYSA-N 1 2 278.371 3.596 20 30 CHEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(F)c1 ZINC000576523736 335213005 /nfs/dbraw/zinc/21/30/05/335213005.db2.gz OZYCQBLRPYARRW-UHFFFAOYSA-N 1 2 278.371 3.596 20 30 CHEDLO N#C[C@@H]1CC[C@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000577366816 335343235 /nfs/dbraw/zinc/34/32/35/335343235.db2.gz NVQLQNLYIZSYAC-CVEARBPZSA-N 1 2 293.370 3.765 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000577511649 335362798 /nfs/dbraw/zinc/36/27/98/335362798.db2.gz UGZKWXZCLKIBKY-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000577511649 335362800 /nfs/dbraw/zinc/36/28/00/335362800.db2.gz UGZKWXZCLKIBKY-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO CC(C)c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000177553197 335374416 /nfs/dbraw/zinc/37/44/16/335374416.db2.gz IWKRLJIGKSZGLI-UHFFFAOYSA-N 1 2 290.370 3.941 20 30 CHEDLO C=CCN(Cc1ccccc1F)Cc1cccc2[nH+]ccn21 ZINC000179831631 335523158 /nfs/dbraw/zinc/52/31/58/335523158.db2.gz HQGNRGOTKFMPBJ-UHFFFAOYSA-N 1 2 295.361 3.662 20 30 CHEDLO C=C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000579094521 335708438 /nfs/dbraw/zinc/70/84/38/335708438.db2.gz YSJFQEOVBNMSFM-UHFFFAOYSA-N 1 2 284.428 3.886 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(F)c1F ZINC000181992557 335793781 /nfs/dbraw/zinc/79/37/81/335793781.db2.gz WTJAYSINNUKITI-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000173515663 517836920 /nfs/dbraw/zinc/83/69/20/517836920.db2.gz YCRRROWMSXOWGH-HNNXBMFYSA-N 1 2 289.379 3.569 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352558552 534773890 /nfs/dbraw/zinc/77/38/90/534773890.db2.gz ACCPLVMOGWMAOG-UHFFFAOYSA-N 1 2 282.318 3.580 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352558552 534773893 /nfs/dbraw/zinc/77/38/93/534773893.db2.gz ACCPLVMOGWMAOG-UHFFFAOYSA-N 1 2 282.318 3.580 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000130662822 525157803 /nfs/dbraw/zinc/15/78/03/525157803.db2.gz ILHHELOYWYYLLD-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000130662822 525157810 /nfs/dbraw/zinc/15/78/10/525157810.db2.gz ILHHELOYWYYLLD-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000340687554 526845594 /nfs/dbraw/zinc/84/55/94/526845594.db2.gz UJMNKDHIZXIWLJ-LLVKDONJSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1nc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000340687554 526845600 /nfs/dbraw/zinc/84/56/00/526845600.db2.gz UJMNKDHIZXIWLJ-LLVKDONJSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1ccc2c(Nc3ccc(N)cc3C#N)cccc2[nH+]1 ZINC001212798434 1125489370 /nfs/dbraw/zinc/48/93/70/1125489370.db2.gz GVRPAAZYUVNZIH-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO N#CC1(C[NH2+]Cc2sccc2Br)CCCC1 ZINC000405140185 1120189379 /nfs/dbraw/zinc/18/93/79/1120189379.db2.gz LSYQUAKCNURGSO-UHFFFAOYSA-N 1 2 299.237 3.684 20 30 CHEDLO Cc1cc(C)c(/C=C/C[N@@H+](C)[C@H](C)CC#N)c(C)c1 ZINC001180030812 1121939003 /nfs/dbraw/zinc/93/90/03/1121939003.db2.gz QADUBWLGLPGCDS-FYCOFBDGSA-N 1 2 256.393 3.859 20 30 CHEDLO Cc1cc(C)c(/C=C/C[N@H+](C)[C@H](C)CC#N)c(C)c1 ZINC001180030812 1121939009 /nfs/dbraw/zinc/93/90/09/1121939009.db2.gz QADUBWLGLPGCDS-FYCOFBDGSA-N 1 2 256.393 3.859 20 30 CHEDLO CCCCCCC[C@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001172351801 1132182734 /nfs/dbraw/zinc/18/27/34/1132182734.db2.gz VOBLIRYGODQRRD-HNNXBMFYSA-N 1 2 266.429 3.788 20 30 CHEDLO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173262086 1132430447 /nfs/dbraw/zinc/43/04/47/1132430447.db2.gz RXPQGVCKQYLOKM-GJZGRUSLSA-N 1 2 281.465 3.865 20 30 CHEDLO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173262086 1132430452 /nfs/dbraw/zinc/43/04/52/1132430452.db2.gz RXPQGVCKQYLOKM-GJZGRUSLSA-N 1 2 281.465 3.865 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C)cc1OC ZINC001206762684 1133745065 /nfs/dbraw/zinc/74/50/65/1133745065.db2.gz PFADKMCBTSWBNK-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO C[C@@H](CC[N@@H+]1CC[C@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653832 1133922948 /nfs/dbraw/zinc/92/29/48/1133922948.db2.gz JALLKTIQHBPVKJ-GXTWGEPZSA-N 1 2 281.465 3.723 20 30 CHEDLO C[C@@H](CC[N@H+]1CC[C@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653832 1133922949 /nfs/dbraw/zinc/92/29/49/1133922949.db2.gz JALLKTIQHBPVKJ-GXTWGEPZSA-N 1 2 281.465 3.723 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000134792046 1125567805 /nfs/dbraw/zinc/56/78/05/1125567805.db2.gz DOIIQLAALXFCHF-UHFFFAOYSA-N 1 2 282.771 3.791 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc2cc(C)ccc2n1 ZINC001137215865 1125595038 /nfs/dbraw/zinc/59/50/38/1125595038.db2.gz OSDPJTAUSPIHJU-UHFFFAOYSA-N 1 2 267.376 3.669 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc2cc(C)ccc2n1 ZINC001137215865 1125595039 /nfs/dbraw/zinc/59/50/39/1125595039.db2.gz OSDPJTAUSPIHJU-UHFFFAOYSA-N 1 2 267.376 3.669 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000161807632 1125713753 /nfs/dbraw/zinc/71/37/53/1125713753.db2.gz HTNNNAGWDBCNCW-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000161807632 1125713757 /nfs/dbraw/zinc/71/37/57/1125713757.db2.gz HTNNNAGWDBCNCW-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC1(C#N)CC1 ZINC000258976828 1125729648 /nfs/dbraw/zinc/72/96/48/1125729648.db2.gz UGLVDDIBQUEISE-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC1(C#N)CC1 ZINC000258976828 1125729653 /nfs/dbraw/zinc/72/96/53/1125729653.db2.gz UGLVDDIBQUEISE-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000093090722 1125764223 /nfs/dbraw/zinc/76/42/23/1125764223.db2.gz QPNXJZLTCXQBFR-VIFPVBQESA-N 1 2 274.261 3.578 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000093090722 1125764229 /nfs/dbraw/zinc/76/42/29/1125764229.db2.gz QPNXJZLTCXQBFR-VIFPVBQESA-N 1 2 274.261 3.578 20 30 CHEDLO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1nccs1 ZINC000122130409 1125784398 /nfs/dbraw/zinc/78/43/98/1125784398.db2.gz NNQCGKHCPRAUID-UHFFFAOYSA-N 1 2 290.819 3.673 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000338349184 1126736678 /nfs/dbraw/zinc/73/66/78/1126736678.db2.gz DSNXFJJUUFPOQX-VIFPVBQESA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000338349184 1126736681 /nfs/dbraw/zinc/73/66/81/1126736681.db2.gz DSNXFJJUUFPOQX-VIFPVBQESA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@H](C#N)C[N@H+](CCSc1ccccc1F)C1CC1 ZINC000338360031 1126737863 /nfs/dbraw/zinc/73/78/63/1126737863.db2.gz PARBIQDJGPWKKG-GFCCVEGCSA-N 1 2 278.396 3.542 20 30 CHEDLO C[C@H](C#N)C[N@@H+](CCSc1ccccc1F)C1CC1 ZINC000338360031 1126737865 /nfs/dbraw/zinc/73/78/65/1126737865.db2.gz PARBIQDJGPWKKG-GFCCVEGCSA-N 1 2 278.396 3.542 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483285418 1126778706 /nfs/dbraw/zinc/77/87/06/1126778706.db2.gz YKUMFTZSRGWEIJ-LLVKDONJSA-N 1 2 290.313 3.816 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483285418 1126778710 /nfs/dbraw/zinc/77/87/10/1126778710.db2.gz YKUMFTZSRGWEIJ-LLVKDONJSA-N 1 2 290.313 3.816 20 30 CHEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F ZINC000679228561 1126788738 /nfs/dbraw/zinc/78/87/38/1126788738.db2.gz XUNWBVPWJSAJIW-DOMZBBRYSA-N 1 2 299.311 3.737 20 30 CHEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F ZINC000679228561 1126788743 /nfs/dbraw/zinc/78/87/43/1126788743.db2.gz XUNWBVPWJSAJIW-DOMZBBRYSA-N 1 2 299.311 3.737 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(OC)ccc1Cl ZINC000483515805 1126791155 /nfs/dbraw/zinc/79/11/55/1126791155.db2.gz WOHBOGNNBRRJLQ-UHFFFAOYSA-N 1 2 251.757 3.523 20 30 CHEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000178790281 1126819933 /nfs/dbraw/zinc/81/99/33/1126819933.db2.gz VBIGEKSIPQKRBB-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1[NH+](C)C ZINC000185739966 1126902474 /nfs/dbraw/zinc/90/24/74/1126902474.db2.gz MLPRAZWPEWPPCQ-KGLIPLIRSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc([NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1N(C)C ZINC000185739966 1126902478 /nfs/dbraw/zinc/90/24/78/1126902478.db2.gz MLPRAZWPEWPPCQ-KGLIPLIRSA-N 1 2 257.381 3.555 20 30 CHEDLO N#CCC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000266542054 1126984162 /nfs/dbraw/zinc/98/41/62/1126984162.db2.gz HADCSRHODMHBHM-SFHVURJKSA-N 1 2 262.356 3.700 20 30 CHEDLO N#CCC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000266542054 1126984165 /nfs/dbraw/zinc/98/41/65/1126984165.db2.gz HADCSRHODMHBHM-SFHVURJKSA-N 1 2 262.356 3.700 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(F)cc3F)n2c1 ZINC000151390671 1127133323 /nfs/dbraw/zinc/13/33/23/1127133323.db2.gz MXTIBTKVHVPZLF-GQCTYLIASA-N 1 2 298.292 3.817 20 30 CHEDLO N#CCC[N@H+](Cc1cnc(Cl)c(F)c1)C1CCCC1 ZINC001237402219 1131095552 /nfs/dbraw/zinc/09/55/52/1131095552.db2.gz MWNRCQQGEGCGKS-UHFFFAOYSA-N 1 2 281.762 3.532 20 30 CHEDLO N#CC1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000572315761 1127197334 /nfs/dbraw/zinc/19/73/34/1127197334.db2.gz DRLZWGOEWWQHEN-UHFFFAOYSA-N 1 2 275.421 3.584 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000590959846 1127279641 /nfs/dbraw/zinc/27/96/41/1127279641.db2.gz YPIPSCPCYSNVCB-HNNXBMFYSA-N 1 2 262.784 3.508 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000590959846 1127279644 /nfs/dbraw/zinc/27/96/44/1127279644.db2.gz YPIPSCPCYSNVCB-HNNXBMFYSA-N 1 2 262.784 3.508 20 30 CHEDLO N#CC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000057906992 1127289080 /nfs/dbraw/zinc/28/90/80/1127289080.db2.gz IXDAHUJJMZOTNP-UHFFFAOYSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592061059 1127332323 /nfs/dbraw/zinc/33/23/23/1127332323.db2.gz QDYLNPCGILQGOO-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592061059 1127332328 /nfs/dbraw/zinc/33/23/28/1127332328.db2.gz QDYLNPCGILQGOO-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592072442 1127334201 /nfs/dbraw/zinc/33/42/01/1127334201.db2.gz DZRFQKRENBTNGN-AWEZNQCLSA-N 1 2 277.371 3.679 20 30 CHEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592072442 1127334204 /nfs/dbraw/zinc/33/42/04/1127334204.db2.gz DZRFQKRENBTNGN-AWEZNQCLSA-N 1 2 277.371 3.679 20 30 CHEDLO Cc1cccc(C2=CC[N@H+](Cc3ccncc3C#N)CC2)c1 ZINC000592093024 1127336262 /nfs/dbraw/zinc/33/62/62/1127336262.db2.gz RSSGCWAWPNKAHJ-UHFFFAOYSA-N 1 2 289.382 3.551 20 30 CHEDLO Cc1cccc(C2=CC[N@@H+](Cc3ccncc3C#N)CC2)c1 ZINC000592093024 1127336263 /nfs/dbraw/zinc/33/62/63/1127336263.db2.gz RSSGCWAWPNKAHJ-UHFFFAOYSA-N 1 2 289.382 3.551 20 30 CHEDLO C=CCCC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000355471090 1127343017 /nfs/dbraw/zinc/34/30/17/1127343017.db2.gz WKZRXQFMHZMSHC-UHFFFAOYSA-N 1 2 281.359 3.762 20 30 CHEDLO C#CCCOc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000157695403 1127371143 /nfs/dbraw/zinc/37/11/43/1127371143.db2.gz DLBATIMMVONNGO-UHFFFAOYSA-N 1 2 294.398 3.767 20 30 CHEDLO CCc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358590115 1127428201 /nfs/dbraw/zinc/42/82/01/1127428201.db2.gz NCWPAXMNKPVBNZ-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO N#CCC1(C[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000594704650 1127428354 /nfs/dbraw/zinc/42/83/54/1127428354.db2.gz CGEMNUOEAQKWLV-AWEZNQCLSA-N 1 2 283.400 3.516 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000594733957 1127429877 /nfs/dbraw/zinc/42/98/77/1127429877.db2.gz CFDXTDAYTAIYMW-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Cl)cn1 ZINC000595090543 1127453903 /nfs/dbraw/zinc/45/39/03/1127453903.db2.gz HMRSGIRYNNTPLA-LBPRGKRZSA-N 1 2 277.799 3.860 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccncc1Cl ZINC000595092161 1127454548 /nfs/dbraw/zinc/45/45/48/1127454548.db2.gz YCGANKDBZMHTFS-GFCCVEGCSA-N 1 2 277.799 3.860 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000595613724 1127470631 /nfs/dbraw/zinc/47/06/31/1127470631.db2.gz GSEGHKNVJNMJES-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000595613724 1127470633 /nfs/dbraw/zinc/47/06/33/1127470633.db2.gz GSEGHKNVJNMJES-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000595843826 1127477984 /nfs/dbraw/zinc/47/79/84/1127477984.db2.gz NUHODLKQFJZBFC-CABCVRRESA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000595843826 1127477985 /nfs/dbraw/zinc/47/79/85/1127477985.db2.gz NUHODLKQFJZBFC-CABCVRRESA-N 1 2 260.768 3.563 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CCCc1cccc(F)c1)C2 ZINC000593125273 1127478456 /nfs/dbraw/zinc/47/84/56/1127478456.db2.gz CZWJLXABEUIWIW-UHFFFAOYSA-N 1 2 280.346 3.646 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC000593125273 1127478459 /nfs/dbraw/zinc/47/84/59/1127478459.db2.gz CZWJLXABEUIWIW-UHFFFAOYSA-N 1 2 280.346 3.646 20 30 CHEDLO CC(C)Oc1ccc2[nH+]ccc(N3CC[C@](C)(C#N)C3)c2c1 ZINC000596530371 1127507340 /nfs/dbraw/zinc/50/73/40/1127507340.db2.gz CTSZMOWLFUXPHC-GOSISDBHSA-N 1 2 295.386 3.762 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000597228263 1127535173 /nfs/dbraw/zinc/53/51/73/1127535173.db2.gz CRVBVXTUDPUIEL-KRWDZBQOSA-N 1 2 266.344 3.682 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000597228263 1127535175 /nfs/dbraw/zinc/53/51/75/1127535175.db2.gz CRVBVXTUDPUIEL-KRWDZBQOSA-N 1 2 266.344 3.682 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361308550 1127555329 /nfs/dbraw/zinc/55/53/29/1127555329.db2.gz AJPHCGBAAWJEHY-RTBURBONSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361308550 1127555331 /nfs/dbraw/zinc/55/53/31/1127555331.db2.gz AJPHCGBAAWJEHY-RTBURBONSA-N 1 2 291.398 3.601 20 30 CHEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000361839075 1127592948 /nfs/dbraw/zinc/59/29/48/1127592948.db2.gz GNTJSRQDWXOZLA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000361839075 1127592951 /nfs/dbraw/zinc/59/29/51/1127592951.db2.gz GNTJSRQDWXOZLA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CCSCc1cc[nH+]c(NC[C@@H](C)CCC#N)c1 ZINC000602577524 1127596092 /nfs/dbraw/zinc/59/60/92/1127596092.db2.gz PUUSLIHDXDMXGM-LBPRGKRZSA-N 1 2 263.410 3.686 20 30 CHEDLO CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)C[C@H](C)C#N ZINC000602770908 1127612537 /nfs/dbraw/zinc/61/25/37/1127612537.db2.gz ZSMYHJHAXMMAPZ-CYBMUJFWSA-N 1 2 283.375 3.632 20 30 CHEDLO CC[N@H+](Cc1oc(-c2ccccc2)nc1C)C[C@H](C)C#N ZINC000602770908 1127612541 /nfs/dbraw/zinc/61/25/41/1127612541.db2.gz ZSMYHJHAXMMAPZ-CYBMUJFWSA-N 1 2 283.375 3.632 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC1(CC#N)CC1 ZINC000602789481 1127613770 /nfs/dbraw/zinc/61/37/70/1127613770.db2.gz VSMVGRLYFQOHFN-NSHDSACASA-N 1 2 276.330 3.578 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602789481 1127613771 /nfs/dbraw/zinc/61/37/71/1127613771.db2.gz VSMVGRLYFQOHFN-NSHDSACASA-N 1 2 276.330 3.578 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981988 1127624178 /nfs/dbraw/zinc/62/41/78/1127624178.db2.gz MCYNKASYXITTOJ-WMLDXEAASA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981988 1127624180 /nfs/dbraw/zinc/62/41/80/1127624180.db2.gz MCYNKASYXITTOJ-WMLDXEAASA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)cs1 ZINC000599368235 1127669348 /nfs/dbraw/zinc/66/93/48/1127669348.db2.gz UXPWDMYABBALJF-QGZVFWFLSA-N 1 2 297.427 3.969 20 30 CHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)cs1 ZINC000599368235 1127669351 /nfs/dbraw/zinc/66/93/51/1127669351.db2.gz UXPWDMYABBALJF-QGZVFWFLSA-N 1 2 297.427 3.969 20 30 CHEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104626 1127690888 /nfs/dbraw/zinc/69/08/88/1127690888.db2.gz UQZPPRVYWJTGEI-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104626 1127690890 /nfs/dbraw/zinc/69/08/90/1127690890.db2.gz UQZPPRVYWJTGEI-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C=CCN(CCc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000604756832 1127716178 /nfs/dbraw/zinc/71/61/78/1127716178.db2.gz HMNHVXLMKVLEPQ-UHFFFAOYSA-N 1 2 293.414 3.898 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)C(C)(C)CO1 ZINC000615224973 1127768163 /nfs/dbraw/zinc/76/81/63/1127768163.db2.gz YEIPVNUTKIWLBO-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)C(C)(C)CO1 ZINC000615224973 1127768166 /nfs/dbraw/zinc/76/81/66/1127768166.db2.gz YEIPVNUTKIWLBO-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO Cc1ccc(C(=O)C2CC[NH+](CC3(C#N)CC3)CC2)c(C)c1 ZINC000539461200 1127924426 /nfs/dbraw/zinc/92/44/26/1127924426.db2.gz ZOBPXQHOSXSSFP-UHFFFAOYSA-N 1 2 296.414 3.502 20 30 CHEDLO CC(C)c1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000545219253 1128006918 /nfs/dbraw/zinc/00/69/18/1128006918.db2.gz SEOHEOQGDSDJPS-UHFFFAOYSA-N 1 2 265.360 3.883 20 30 CHEDLO C=CC[N@H+](Cc1ncc(Cl)cc1Cl)C(C)C ZINC000777559000 1128128279 /nfs/dbraw/zinc/12/82/79/1128128279.db2.gz PHIPYLVCPHGEMW-UHFFFAOYSA-N 1 2 259.180 3.785 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(Cl)cc1Cl)C(C)C ZINC000777559000 1128128282 /nfs/dbraw/zinc/12/82/82/1128128282.db2.gz PHIPYLVCPHGEMW-UHFFFAOYSA-N 1 2 259.180 3.785 20 30 CHEDLO CC[C@H]([NH2+]Cc1cscc1C)c1cccc(C#N)c1O ZINC000926302974 1128165866 /nfs/dbraw/zinc/16/58/66/1128165866.db2.gz KUUBYADCBMKQRH-HNNXBMFYSA-N 1 2 286.400 3.875 20 30 CHEDLO CC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000926343486 1128167757 /nfs/dbraw/zinc/16/77/57/1128167757.db2.gz GESONWDIVYCMBA-SMDDNHRTSA-N 1 2 294.345 3.740 20 30 CHEDLO CCc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000929756635 1128284930 /nfs/dbraw/zinc/28/49/30/1128284930.db2.gz IIOHRJFGDOELRS-IAGOWNOFSA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000929756635 1128284932 /nfs/dbraw/zinc/28/49/32/1128284932.db2.gz IIOHRJFGDOELRS-IAGOWNOFSA-N 1 2 295.386 3.509 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000930964039 1128342071 /nfs/dbraw/zinc/34/20/71/1128342071.db2.gz AFRBUMGSMOROLU-KRWDZBQOSA-N 1 2 293.370 3.664 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000930964039 1128342073 /nfs/dbraw/zinc/34/20/73/1128342073.db2.gz AFRBUMGSMOROLU-KRWDZBQOSA-N 1 2 293.370 3.664 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(Cl)cc2)s1 ZINC000916246738 1128413587 /nfs/dbraw/zinc/41/35/87/1128413587.db2.gz KVERIVCJALQRIR-UHFFFAOYSA-N 1 2 279.796 3.914 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC000218995346 1128433927 /nfs/dbraw/zinc/43/39/27/1128433927.db2.gz WUFNOJSNNUUWHE-UHFFFAOYSA-N 1 2 254.736 3.603 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC000218995346 1128433929 /nfs/dbraw/zinc/43/39/29/1128433929.db2.gz WUFNOJSNNUUWHE-UHFFFAOYSA-N 1 2 254.736 3.603 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000778230083 1128454669 /nfs/dbraw/zinc/45/46/69/1128454669.db2.gz DDYFCHCPFUEWGN-UHFFFAOYSA-N 1 2 289.810 3.842 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000778230083 1128454672 /nfs/dbraw/zinc/45/46/72/1128454672.db2.gz DDYFCHCPFUEWGN-UHFFFAOYSA-N 1 2 289.810 3.842 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1c(Cl)cncc1Cl ZINC000934460804 1128460960 /nfs/dbraw/zinc/46/09/60/1128460960.db2.gz RPUKQJYBWQUDAE-SECBINFHSA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1c(Cl)cncc1Cl ZINC000934460804 1128460964 /nfs/dbraw/zinc/46/09/64/1128460964.db2.gz RPUKQJYBWQUDAE-SECBINFHSA-N 1 2 257.164 3.539 20 30 CHEDLO CC(C)OC(=O)CCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000154221807 1128462038 /nfs/dbraw/zinc/46/20/38/1128462038.db2.gz LSTASQAIZHBKGN-XDHOZWIPSA-N 1 2 299.370 3.696 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2)o1 ZINC000127582474 1128480558 /nfs/dbraw/zinc/48/05/58/1128480558.db2.gz WJQSGVMXARNXLP-UHFFFAOYSA-N 1 2 254.333 3.682 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2)o1 ZINC000127582474 1128480559 /nfs/dbraw/zinc/48/05/59/1128480559.db2.gz WJQSGVMXARNXLP-UHFFFAOYSA-N 1 2 254.333 3.682 20 30 CHEDLO CCCCCCC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC000917523852 1128502439 /nfs/dbraw/zinc/50/24/39/1128502439.db2.gz YCLONLFUTJZPIO-ZDUSSCGKSA-N 1 2 289.427 3.772 20 30 CHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000565843033 1128533858 /nfs/dbraw/zinc/53/38/58/1128533858.db2.gz WUPFOZMSVZMVBP-MNOVXSKESA-N 1 2 292.333 3.774 20 30 CHEDLO N#C[C@H]1CC=C(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC001212855275 1128599778 /nfs/dbraw/zinc/59/97/78/1128599778.db2.gz UMKWFLLJXIAIIW-NSHDSACASA-N 1 2 283.762 3.930 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001212861034 1128659188 /nfs/dbraw/zinc/65/91/88/1128659188.db2.gz MJUJFKKIJQNDJT-CQSZACIVSA-N 1 2 278.359 3.551 20 30 CHEDLO C[C@H](NN=Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000920383187 1128679410 /nfs/dbraw/zinc/67/94/10/1128679410.db2.gz TXWUGGZSFVOHTL-HNNXBMFYSA-N 1 2 290.370 3.557 20 30 CHEDLO CCOc1ccc(/C=[NH+]\C[C@H]2CC=CCC2)c(O)c1 ZINC000920990841 1128696545 /nfs/dbraw/zinc/69/65/45/1128696545.db2.gz GAHBMSJTDDMYGA-IGWPVBGESA-N 1 2 259.349 3.566 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000610004015 1128733906 /nfs/dbraw/zinc/73/39/06/1128733906.db2.gz YWBHSNVGDRNFJG-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000610004015 1128733907 /nfs/dbraw/zinc/73/39/07/1128733907.db2.gz YWBHSNVGDRNFJG-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C=CCCCCC[N@H+](CCC#N)Cc1cccnc1 ZINC001209423139 1118048339 /nfs/dbraw/zinc/04/83/39/1118048339.db2.gz HBVSFEVYQQHNBW-UHFFFAOYSA-N 1 2 257.381 3.544 20 30 CHEDLO C=CCCCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001209423139 1118048345 /nfs/dbraw/zinc/04/83/45/1118048345.db2.gz HBVSFEVYQQHNBW-UHFFFAOYSA-N 1 2 257.381 3.544 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000769962387 1118127289 /nfs/dbraw/zinc/12/72/89/1118127289.db2.gz YGTKODSLPCIZJF-NSHDSACASA-N 1 2 290.819 3.917 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000769962387 1118127290 /nfs/dbraw/zinc/12/72/90/1118127290.db2.gz YGTKODSLPCIZJF-NSHDSACASA-N 1 2 290.819 3.917 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(F)nc1 ZINC001167273313 1118137472 /nfs/dbraw/zinc/13/74/72/1118137472.db2.gz BJOSJIOFAWZTOV-CYBMUJFWSA-N 1 2 286.325 3.556 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(F)nc1 ZINC001167273313 1118137475 /nfs/dbraw/zinc/13/74/75/1118137475.db2.gz BJOSJIOFAWZTOV-CYBMUJFWSA-N 1 2 286.325 3.556 20 30 CHEDLO CC(C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000341208020 1118621801 /nfs/dbraw/zinc/62/18/01/1118621801.db2.gz AXTKQPHTCLATRD-UHFFFAOYSA-N 1 2 297.427 3.917 20 30 CHEDLO C=CCOc1ccc(C[NH+]2CC(C(F)F)C2)cc1Cl ZINC000656691006 1118639003 /nfs/dbraw/zinc/63/90/03/1118639003.db2.gz TWNWOAXHMCRUSP-UHFFFAOYSA-N 1 2 287.737 3.602 20 30 CHEDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1N)C[C@@H](C)C#N ZINC000381164942 1118670179 /nfs/dbraw/zinc/67/01/79/1118670179.db2.gz AAXWCGPDBRURFJ-VIFPVBQESA-N 1 2 286.206 3.557 20 30 CHEDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1N)C[C@@H](C)C#N ZINC000381164942 1118670181 /nfs/dbraw/zinc/67/01/81/1118670181.db2.gz AAXWCGPDBRURFJ-VIFPVBQESA-N 1 2 286.206 3.557 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1csc(C#N)c1 ZINC000891747732 1118756529 /nfs/dbraw/zinc/75/65/29/1118756529.db2.gz LLWRXYHQGRCQEM-LBPRGKRZSA-N 1 2 284.384 3.575 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891747732 1118756532 /nfs/dbraw/zinc/75/65/32/1118756532.db2.gz LLWRXYHQGRCQEM-LBPRGKRZSA-N 1 2 284.384 3.575 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(F)c(F)c1 ZINC000255396192 1118765641 /nfs/dbraw/zinc/76/56/41/1118765641.db2.gz XAUCZXBITTWQQN-ALCCZGGFSA-N 1 2 284.265 3.509 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C)ccn1 ZINC000616758911 1128799560 /nfs/dbraw/zinc/79/95/60/1128799560.db2.gz MJIQDIUGPYDRCO-UHFFFAOYSA-N 1 2 259.397 3.542 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C)ccn1 ZINC000616758911 1128799564 /nfs/dbraw/zinc/79/95/64/1128799564.db2.gz MJIQDIUGPYDRCO-UHFFFAOYSA-N 1 2 259.397 3.542 20 30 CHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1sccc1Cl ZINC000933770934 1118792697 /nfs/dbraw/zinc/79/26/97/1118792697.db2.gz BALNOZIGMGJQRY-UHFFFAOYSA-N 1 2 282.821 3.967 20 30 CHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1sccc1Cl ZINC000933770934 1118792699 /nfs/dbraw/zinc/79/26/99/1118792699.db2.gz BALNOZIGMGJQRY-UHFFFAOYSA-N 1 2 282.821 3.967 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000247706334 1118911711 /nfs/dbraw/zinc/91/17/11/1118911711.db2.gz ZAFRRPRXRQWHLF-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000247706334 1118911714 /nfs/dbraw/zinc/91/17/14/1118911714.db2.gz ZAFRRPRXRQWHLF-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338327152 1119063054 /nfs/dbraw/zinc/06/30/54/1119063054.db2.gz KUPLFHHMGPMJCX-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338327152 1119063060 /nfs/dbraw/zinc/06/30/60/1119063060.db2.gz KUPLFHHMGPMJCX-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C=CCN(Cc1ccc(Cl)s1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628121076 1119400985 /nfs/dbraw/zinc/40/09/85/1119400985.db2.gz QDRMGBYDNQENMF-UHFFFAOYSA-N 1 2 295.839 3.930 20 30 CHEDLO C[N@H+](CCC(C)(C)C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157578196 1119401772 /nfs/dbraw/zinc/40/17/72/1119401772.db2.gz ABGIZFWNHLJKQK-UHFFFAOYSA-N 1 2 295.770 3.620 20 30 CHEDLO C[N@@H+](CCC(C)(C)C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157578196 1119401775 /nfs/dbraw/zinc/40/17/75/1119401775.db2.gz ABGIZFWNHLJKQK-UHFFFAOYSA-N 1 2 295.770 3.620 20 30 CHEDLO CC(C)(CNC(=O)CCc1c[nH]c[nH+]1)C1=CCCCC1 ZINC000329378813 1119403052 /nfs/dbraw/zinc/40/30/52/1119403052.db2.gz MQZLODVQGHYULU-UHFFFAOYSA-N 1 2 275.396 3.825 20 30 CHEDLO CC(C)(CNC(=O)CCc1c[nH+]c[nH]1)C1=CCCCC1 ZINC000329378813 1119403054 /nfs/dbraw/zinc/40/30/54/1119403054.db2.gz MQZLODVQGHYULU-UHFFFAOYSA-N 1 2 275.396 3.825 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1oc(C)nc1C)c1ccc(F)c(F)c1 ZINC000685573318 1119632858 /nfs/dbraw/zinc/63/28/58/1119632858.db2.gz HVRGOQUMQBWCJB-MRXNPFEDSA-N 1 2 292.329 3.977 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nccc(OC)c1F)c1ccco1 ZINC000658220899 1119703937 /nfs/dbraw/zinc/70/39/37/1119703937.db2.gz AMOSYZKGEUSVEV-LBPRGKRZSA-N 1 2 290.338 3.619 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)CC2 ZINC000255711004 1119732335 /nfs/dbraw/zinc/73/23/35/1119732335.db2.gz GEIIHWIMPIEGFH-NTCAYCPXSA-N 1 2 288.350 3.855 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000612159031 1119737219 /nfs/dbraw/zinc/73/72/19/1119737219.db2.gz QJQASWZLHRTXQY-HNNXBMFYSA-N 1 2 262.784 3.508 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000612159031 1119737223 /nfs/dbraw/zinc/73/72/23/1119737223.db2.gz QJQASWZLHRTXQY-HNNXBMFYSA-N 1 2 262.784 3.508 20 30 CHEDLO CCCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612163569 1119740125 /nfs/dbraw/zinc/74/01/25/1119740125.db2.gz ULMNMKDIBYNEGL-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612163569 1119740128 /nfs/dbraw/zinc/74/01/28/1119740128.db2.gz ULMNMKDIBYNEGL-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3cc(F)cc(F)c3)c[nH+]c12 ZINC000255845066 1119757342 /nfs/dbraw/zinc/75/73/42/1119757342.db2.gz KLPSIPYEIINVTK-PLNGDYQASA-N 1 2 298.292 3.817 20 30 CHEDLO CC1(C)Cc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000612406421 1119783080 /nfs/dbraw/zinc/78/30/80/1119783080.db2.gz LWVUUCZRVHWDAA-GOSISDBHSA-N 1 2 284.403 3.526 20 30 CHEDLO CC1(C)Cc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000612406421 1119783084 /nfs/dbraw/zinc/78/30/84/1119783084.db2.gz LWVUUCZRVHWDAA-GOSISDBHSA-N 1 2 284.403 3.526 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612407178 1119784232 /nfs/dbraw/zinc/78/42/32/1119784232.db2.gz ZTBCNVOUPXFUJL-SFHVURJKSA-N 1 2 294.402 3.511 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612407178 1119784234 /nfs/dbraw/zinc/78/42/34/1119784234.db2.gz ZTBCNVOUPXFUJL-SFHVURJKSA-N 1 2 294.402 3.511 20 30 CHEDLO C[C@H](CC#N)[NH2+]Cc1sc2ccccc2c1Cl ZINC000612584316 1119802737 /nfs/dbraw/zinc/80/27/37/1119802737.db2.gz AKOQGOZHGIPZKN-SECBINFHSA-N 1 2 264.781 3.946 20 30 CHEDLO C[C@H](Nc1ccc(-n2cccc2)c[nH+]1)c1cccc(C#N)c1 ZINC001167707291 1120040546 /nfs/dbraw/zinc/04/05/46/1120040546.db2.gz NVJCALOVGLNIGQ-AWEZNQCLSA-N 1 2 288.354 3.917 20 30 CHEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]c2cc[nH]c21 ZINC001167709576 1120058102 /nfs/dbraw/zinc/05/81/02/1120058102.db2.gz RVSQAJHHUSZYCB-LBPRGKRZSA-N 1 2 276.343 3.916 20 30 CHEDLO C=CCCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921660039 1120058761 /nfs/dbraw/zinc/05/87/61/1120058761.db2.gz IGGLJOCYAVEFMI-UHFFFAOYSA-N 1 2 283.375 3.988 20 30 CHEDLO C=CCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921663124 1120059396 /nfs/dbraw/zinc/05/93/96/1120059396.db2.gz PWNLWEUQUDUIRK-UHFFFAOYSA-N 1 2 269.348 3.598 20 30 CHEDLO C=CC[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccncc1 ZINC000921748319 1120196596 /nfs/dbraw/zinc/19/65/96/1120196596.db2.gz VOOGOIHTZWEMLL-AWEZNQCLSA-N 1 2 285.391 3.774 20 30 CHEDLO C[N@H+](Cc1csc(Br)c1)[C@@H]1CCC[C@H]1C#N ZINC000250242753 1120203370 /nfs/dbraw/zinc/20/33/70/1120203370.db2.gz RTAFSCCLZXSBHR-WDEREUQCSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCC[C@H]1C#N ZINC000250242753 1120203371 /nfs/dbraw/zinc/20/33/71/1120203371.db2.gz RTAFSCCLZXSBHR-WDEREUQCSA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000076147947 1120277172 /nfs/dbraw/zinc/27/71/72/1120277172.db2.gz ZAFRRPRXRQWHLF-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000076147947 1120277176 /nfs/dbraw/zinc/27/71/76/1120277176.db2.gz ZAFRRPRXRQWHLF-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO CC(C)(C)c1coc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000922074208 1120355351 /nfs/dbraw/zinc/35/53/51/1120355351.db2.gz YVSLEVPWVCKVPR-OAHLLOKOSA-N 1 2 295.386 3.621 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000759812194 1120546291 /nfs/dbraw/zinc/54/62/91/1120546291.db2.gz YOCUBLRNRXNYOO-UHFFFAOYSA-N 1 2 279.689 3.770 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000759812194 1120546292 /nfs/dbraw/zinc/54/62/92/1120546292.db2.gz YOCUBLRNRXNYOO-UHFFFAOYSA-N 1 2 279.689 3.770 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccccc1C#N)c1cc(F)ccc1OC ZINC000922624397 1120565782 /nfs/dbraw/zinc/56/57/82/1120565782.db2.gz ZMAULJLZYGXYEF-KRWDZBQOSA-N 1 2 298.361 3.947 20 30 CHEDLO C=CCOc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1OC ZINC000673618284 1120601170 /nfs/dbraw/zinc/60/11/70/1120601170.db2.gz ZGKYGMFBNFSGIS-HNNXBMFYSA-N 1 2 297.345 3.537 20 30 CHEDLO Cc1c(C[N@H+](CCC#N)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000109811794 1120631408 /nfs/dbraw/zinc/63/14/08/1120631408.db2.gz VYIZIUKRTBRCTR-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO Cc1c(C[N@@H+](CCC#N)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000109811794 1120631410 /nfs/dbraw/zinc/63/14/10/1120631410.db2.gz VYIZIUKRTBRCTR-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000629711895 1128929707 /nfs/dbraw/zinc/92/97/07/1128929707.db2.gz HOWQVIBWBKKWJY-IBGZPJMESA-N 1 2 290.366 3.561 20 30 CHEDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000629711895 1128929711 /nfs/dbraw/zinc/92/97/11/1128929711.db2.gz HOWQVIBWBKKWJY-IBGZPJMESA-N 1 2 290.366 3.561 20 30 CHEDLO CCc1ncc(C[N@@H+](CCC#N)CC(CC)CC)s1 ZINC000093100972 1120701750 /nfs/dbraw/zinc/70/17/50/1120701750.db2.gz HIZJWWFNLSBOJU-UHFFFAOYSA-N 1 2 279.453 3.857 20 30 CHEDLO CCc1ncc(C[N@H+](CCC#N)CC(CC)CC)s1 ZINC000093100972 1120701754 /nfs/dbraw/zinc/70/17/54/1120701754.db2.gz HIZJWWFNLSBOJU-UHFFFAOYSA-N 1 2 279.453 3.857 20 30 CHEDLO C=CCC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001128926821 1121209720 /nfs/dbraw/zinc/20/97/20/1121209720.db2.gz XEIDBQBHOWOSLI-UHFFFAOYSA-N 1 2 297.402 3.652 20 30 CHEDLO CCCCCCCCOC(=O)C[NH2+][C@@H](C)CCSC ZINC001258209053 1128974972 /nfs/dbraw/zinc/97/49/72/1128974972.db2.gz RPHKMWHHWUPYPN-AWEZNQCLSA-N 1 2 289.485 3.621 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350860 1121292315 /nfs/dbraw/zinc/29/23/15/1121292315.db2.gz DFFOHZKXAYVECR-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1C#N ZINC001175353246 1121293384 /nfs/dbraw/zinc/29/33/84/1121293384.db2.gz YPYJYGKOXZZTFR-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246564934 1121310323 /nfs/dbraw/zinc/31/03/23/1121310323.db2.gz RMGRNZQGPDRSCN-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246564934 1121310331 /nfs/dbraw/zinc/31/03/31/1121310331.db2.gz RMGRNZQGPDRSCN-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[N@@H+]1CCc2c(C#N)c(NC=CC(C)(C)C)sc2C1 ZINC001175568958 1121389985 /nfs/dbraw/zinc/38/99/85/1121389985.db2.gz BODPZULTJLQLBP-VOTSOKGWSA-N 1 2 275.421 3.579 20 30 CHEDLO C[N@H+]1CCc2c(C#N)c(NC=CC(C)(C)C)sc2C1 ZINC001175568958 1121389991 /nfs/dbraw/zinc/38/99/91/1121389991.db2.gz BODPZULTJLQLBP-VOTSOKGWSA-N 1 2 275.421 3.579 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)s1 ZINC000512884024 1121631921 /nfs/dbraw/zinc/63/19/21/1121631921.db2.gz BGGZFQNOEZTYTF-UHFFFAOYSA-N 1 2 270.348 3.677 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cccc(C#N)c1F ZINC000611371866 1121640568 /nfs/dbraw/zinc/64/05/68/1121640568.db2.gz XNESSQJFUTYMMM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611371866 1121640570 /nfs/dbraw/zinc/64/05/70/1121640570.db2.gz XNESSQJFUTYMMM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO Oc1ccc(/C=[NH+]\CCCCCc2ccccc2)c(O)c1O ZINC000727653668 1121732095 /nfs/dbraw/zinc/73/20/95/1121732095.db2.gz VOODOIFDLKBOQM-UYRXBGFRSA-N 1 2 299.370 3.635 20 30 CHEDLO Oc1ccc(/C=[NH+]/CCCCCc2ccccc2)c(O)c1O ZINC000727653667 1121732158 /nfs/dbraw/zinc/73/21/58/1121732158.db2.gz VOODOIFDLKBOQM-CPNJWEJPSA-N 1 2 299.370 3.635 20 30 CHEDLO CC[C@@H](Cc1ccccc1)/[NH+]=C\c1ccccc1O ZINC000727781523 1121740189 /nfs/dbraw/zinc/74/01/89/1121740189.db2.gz PDSSSDKHPPGGIV-CQUHBBLWSA-N 1 2 253.345 3.832 20 30 CHEDLO C#CCOc1ccccc1CNc1ccc([NH+](C)C)cc1C ZINC000237100757 1121784453 /nfs/dbraw/zinc/78/44/53/1121784453.db2.gz QVWXBNCSQUCLFQ-UHFFFAOYSA-N 1 2 294.398 3.685 20 30 CHEDLO Cc1cccc(C=NNc2cc[nH+]c3ccccc23)c1C ZINC000731153330 1121851323 /nfs/dbraw/zinc/85/13/23/1121851323.db2.gz GXWDEOJVBLIQKX-UHFFFAOYSA-N 1 2 275.355 3.720 20 30 CHEDLO CCOc1cccc(F)c1C[NH2+]CC1(C#N)CCCCC1 ZINC001179173793 1121857328 /nfs/dbraw/zinc/85/73/28/1121857328.db2.gz ZGIZMSWVZUEHLA-UHFFFAOYSA-N 1 2 290.382 3.788 20 30 CHEDLO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000502862617 1122153322 /nfs/dbraw/zinc/15/33/22/1122153322.db2.gz PGDJGPKFLVPHNJ-LBPRGKRZSA-N 1 2 258.356 3.826 20 30 CHEDLO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000502862617 1122153324 /nfs/dbraw/zinc/15/33/24/1122153324.db2.gz PGDJGPKFLVPHNJ-LBPRGKRZSA-N 1 2 258.356 3.826 20 30 CHEDLO Fc1ccc(N[NH+]=C2CCCNc3ccccc32)c(F)c1 ZINC000774312105 1122154525 /nfs/dbraw/zinc/15/45/25/1122154525.db2.gz PPWJDZWFTMGOJI-UHFFFAOYSA-N 1 2 287.313 3.987 20 30 CHEDLO c1[nH]nc2ccc(N[NH+]=C3CCCNc4ccccc43)cc12 ZINC000774408699 1122162687 /nfs/dbraw/zinc/16/26/87/1122162687.db2.gz HFXMVOXFTLZNRG-UHFFFAOYSA-N 1 2 291.358 3.585 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(C)ns1 ZINC000637871163 1122301924 /nfs/dbraw/zinc/30/19/24/1122301924.db2.gz JNNFCOVAGZZKNA-UHFFFAOYSA-N 1 2 264.419 3.701 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(C)ns1 ZINC000637871163 1122301929 /nfs/dbraw/zinc/30/19/29/1122301929.db2.gz JNNFCOVAGZZKNA-UHFFFAOYSA-N 1 2 264.419 3.701 20 30 CHEDLO N#Cc1c(Cl)cccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184969212 1122304473 /nfs/dbraw/zinc/30/44/73/1122304473.db2.gz XODFANQYUCREES-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO C[N@@H+](CCC#N)CCOc1ccc(Oc2ccccc2)cc1 ZINC000435039102 1122428899 /nfs/dbraw/zinc/42/88/99/1122428899.db2.gz ARAOOMPZZKSLSN-UHFFFAOYSA-N 1 2 296.370 3.703 20 30 CHEDLO C[N@H+](CCC#N)CCOc1ccc(Oc2ccccc2)cc1 ZINC000435039102 1122428901 /nfs/dbraw/zinc/42/89/01/1122428901.db2.gz ARAOOMPZZKSLSN-UHFFFAOYSA-N 1 2 296.370 3.703 20 30 CHEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c2c(OC)cccc12 ZINC000435600604 1122479273 /nfs/dbraw/zinc/47/92/73/1122479273.db2.gz DQPGULARYAXTCW-FZKQIMNGSA-N 1 2 298.386 3.637 20 30 CHEDLO N#Cc1ccccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000515189809 1122481601 /nfs/dbraw/zinc/48/16/01/1122481601.db2.gz MIYDZZHRHQEDIJ-GOSISDBHSA-N 1 2 280.346 3.629 20 30 CHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000515189809 1122481602 /nfs/dbraw/zinc/48/16/02/1122481602.db2.gz MIYDZZHRHQEDIJ-GOSISDBHSA-N 1 2 280.346 3.629 20 30 CHEDLO Cc1cc(NCc2ccc(CC#N)cc2)nc(C2CCC2)[nH+]1 ZINC000894344053 1122657790 /nfs/dbraw/zinc/65/77/90/1122657790.db2.gz ZTIGQODOFMECRD-UHFFFAOYSA-N 1 2 292.386 3.731 20 30 CHEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000429625704 1122732454 /nfs/dbraw/zinc/73/24/54/1122732454.db2.gz KUGRLYHUDFCODU-KRWDZBQOSA-N 1 2 279.387 3.627 20 30 CHEDLO CC#CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000429625704 1122732456 /nfs/dbraw/zinc/73/24/56/1122732456.db2.gz KUGRLYHUDFCODU-KRWDZBQOSA-N 1 2 279.387 3.627 20 30 CHEDLO CC(C)[C@@H](O)C1(C/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000775628896 1122828961 /nfs/dbraw/zinc/82/89/61/1122828961.db2.gz BCTMHCTXFKPSHY-JLWFYQMASA-N 1 2 297.398 3.761 20 30 CHEDLO N#CC[N@@H+](CCCOc1ccc(Cl)cc1)C1CCCC1 ZINC000519566338 1122890400 /nfs/dbraw/zinc/89/04/00/1122890400.db2.gz LKTWQDTXELZPNX-UHFFFAOYSA-N 1 2 292.810 3.877 20 30 CHEDLO N#CC[N@H+](CCCOc1ccc(Cl)cc1)C1CCCC1 ZINC000519566338 1122890404 /nfs/dbraw/zinc/89/04/04/1122890404.db2.gz LKTWQDTXELZPNX-UHFFFAOYSA-N 1 2 292.810 3.877 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000506937576 1122915394 /nfs/dbraw/zinc/91/53/94/1122915394.db2.gz BREDVUQDISAYCI-LLVKDONJSA-N 1 2 268.813 3.524 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000506937576 1122915398 /nfs/dbraw/zinc/91/53/98/1122915398.db2.gz BREDVUQDISAYCI-LLVKDONJSA-N 1 2 268.813 3.524 20 30 CHEDLO C=CC[NH+](Cc1ccccc1OC)Cc1ccccc1OC ZINC000507327088 1122948478 /nfs/dbraw/zinc/94/84/78/1122948478.db2.gz POVCYMKBQWZWMU-UHFFFAOYSA-N 1 2 297.398 3.892 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000334281865 1122982091 /nfs/dbraw/zinc/98/20/91/1122982091.db2.gz SWUVRPPGHLTVCG-UHFFFAOYSA-N 1 2 297.427 3.936 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342720 1122991237 /nfs/dbraw/zinc/99/12/37/1122991237.db2.gz QFVGPHUYEVUIQG-OLZOCXBDSA-N 1 2 297.377 3.747 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342720 1122991241 /nfs/dbraw/zinc/99/12/41/1122991241.db2.gz QFVGPHUYEVUIQG-OLZOCXBDSA-N 1 2 297.377 3.747 20 30 CHEDLO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC001201295361 1123084918 /nfs/dbraw/zinc/08/49/18/1123084918.db2.gz PSOVGUVPJULMCP-UHFFFAOYSA-N 1 2 279.130 3.586 20 30 CHEDLO Cc1cccc(C[NH2+]CC2(C#N)CCC2)c1Br ZINC000894965691 1123093518 /nfs/dbraw/zinc/09/35/18/1123093518.db2.gz JARFQKBLNFJNLL-UHFFFAOYSA-N 1 2 293.208 3.541 20 30 CHEDLO N#Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC001201566632 1123124895 /nfs/dbraw/zinc/12/48/95/1123124895.db2.gz JXNOJDGBVVQOEC-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO CC(C)c1c[nH]c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000895055876 1123127662 /nfs/dbraw/zinc/12/76/62/1123127662.db2.gz YKSCLWKGMRLRKD-CYBMUJFWSA-N 1 2 282.391 3.598 20 30 CHEDLO CC(C)c1c[nH]c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000895055876 1123127666 /nfs/dbraw/zinc/12/76/66/1123127666.db2.gz YKSCLWKGMRLRKD-CYBMUJFWSA-N 1 2 282.391 3.598 20 30 CHEDLO N#CC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCCC1 ZINC000850390995 1123262113 /nfs/dbraw/zinc/26/21/13/1123262113.db2.gz AGOPFDDHVQWTDV-UHFFFAOYSA-N 1 2 296.773 3.748 20 30 CHEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428241646 1123297205 /nfs/dbraw/zinc/29/72/05/1123297205.db2.gz RMWHIJUEZZDYDT-SFHVURJKSA-N 1 2 297.377 3.763 20 30 CHEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428241646 1123297206 /nfs/dbraw/zinc/29/72/06/1123297206.db2.gz RMWHIJUEZZDYDT-SFHVURJKSA-N 1 2 297.377 3.763 20 30 CHEDLO C=CC[C@@H]1CCCC[C@H]1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000851143507 1123328242 /nfs/dbraw/zinc/32/82/42/1123328242.db2.gz LWLMTKRFIZCKQM-RRFJBIMHSA-N 1 2 276.380 3.512 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccsc1 ZINC000853161076 1123427176 /nfs/dbraw/zinc/42/71/76/1123427176.db2.gz KNFTWYLELOBGQM-UHFFFAOYSA-N 1 2 272.373 3.547 20 30 CHEDLO CC(C)c1[nH+]c(C=NN2CCCC[C@@H]2C)c2ccccn21 ZINC000853379246 1123436876 /nfs/dbraw/zinc/43/68/76/1123436876.db2.gz HHPMYVOZWAWWHZ-AWEZNQCLSA-N 1 2 284.407 3.666 20 30 CHEDLO C=C1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000335868614 1123451247 /nfs/dbraw/zinc/45/12/47/1123451247.db2.gz YIZUHBOEFKANQX-UHFFFAOYSA-N 1 2 289.766 3.542 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC001141885192 1123570907 /nfs/dbraw/zinc/57/09/07/1123570907.db2.gz YNBSVNIMPLPQCD-UHFFFAOYSA-N 1 2 278.343 3.950 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC001141885192 1123570911 /nfs/dbraw/zinc/57/09/11/1123570911.db2.gz YNBSVNIMPLPQCD-UHFFFAOYSA-N 1 2 278.343 3.950 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000896502072 1123591083 /nfs/dbraw/zinc/59/10/83/1123591083.db2.gz UZYGQRBFGDZFOZ-SNVBAGLBSA-N 1 2 291.807 3.685 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000896502072 1123591078 /nfs/dbraw/zinc/59/10/78/1123591078.db2.gz UZYGQRBFGDZFOZ-SNVBAGLBSA-N 1 2 291.807 3.685 20 30 CHEDLO Cc1ccccc1C[N@H+](CCC#N)Cc1ccccc1 ZINC000346797864 1123714480 /nfs/dbraw/zinc/71/44/80/1123714480.db2.gz NPOCYNUCFDYMBT-UHFFFAOYSA-N 1 2 264.372 3.911 20 30 CHEDLO Cc1ccccc1C[N@@H+](CCC#N)Cc1ccccc1 ZINC000346797864 1123714485 /nfs/dbraw/zinc/71/44/85/1123714485.db2.gz NPOCYNUCFDYMBT-UHFFFAOYSA-N 1 2 264.372 3.911 20 30 CHEDLO CCCCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000862356069 1123802368 /nfs/dbraw/zinc/80/23/68/1123802368.db2.gz AZJWIMGDAFVIBP-UHFFFAOYSA-N 1 2 299.418 3.632 20 30 CHEDLO C=C(C)C[N@H+](Cc1ccn(C(F)F)n1)Cc1ccccc1 ZINC000475283378 1123833487 /nfs/dbraw/zinc/83/34/87/1123833487.db2.gz VXPWRZHZGSKTQJ-UHFFFAOYSA-N 1 2 291.345 3.857 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccccc1 ZINC000475283378 1123833491 /nfs/dbraw/zinc/83/34/91/1123833491.db2.gz VXPWRZHZGSKTQJ-UHFFFAOYSA-N 1 2 291.345 3.857 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000339052135 1123847058 /nfs/dbraw/zinc/84/70/58/1123847058.db2.gz KIMAGYWBWGEKEG-ZDUSSCGKSA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000339052135 1123847060 /nfs/dbraw/zinc/84/70/60/1123847060.db2.gz KIMAGYWBWGEKEG-ZDUSSCGKSA-N 1 2 271.408 3.638 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(C2CCC2)cc1 ZINC000865227970 1123964328 /nfs/dbraw/zinc/96/43/28/1123964328.db2.gz ZJCSLHMUOXHWPM-CMDGGOBGSA-N 1 2 252.317 3.573 20 30 CHEDLO C#CCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000779853916 1129156595 /nfs/dbraw/zinc/15/65/95/1129156595.db2.gz BPPQAEGCCCVUHD-UHFFFAOYSA-N 1 2 299.349 3.534 20 30 CHEDLO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)CC1(F)F ZINC000444692641 1124055325 /nfs/dbraw/zinc/05/53/25/1124055325.db2.gz FRNMQOQRTYRXIK-LBPRGKRZSA-N 1 2 258.356 3.684 20 30 CHEDLO C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)CC1(F)F ZINC000444692641 1124055327 /nfs/dbraw/zinc/05/53/27/1124055327.db2.gz FRNMQOQRTYRXIK-LBPRGKRZSA-N 1 2 258.356 3.684 20 30 CHEDLO C#CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC000866309752 1124050364 /nfs/dbraw/zinc/05/03/64/1124050364.db2.gz AZAIMINYKXNWKJ-AOIWGVFYSA-N 1 2 295.357 3.812 20 30 CHEDLO C[C@H]([NH2+]CCCc1cccs1)c1cccc(C#N)c1O ZINC000866312718 1124051271 /nfs/dbraw/zinc/05/12/71/1124051271.db2.gz YNBWIMLZMNGRBQ-LBPRGKRZSA-N 1 2 286.400 3.609 20 30 CHEDLO CC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)c1cccc(C#N)c1O ZINC000925158797 1124055311 /nfs/dbraw/zinc/05/53/11/1124055311.db2.gz SLYOLCRBWIKANC-GUTXKFCHSA-N 1 2 290.432 3.589 20 30 CHEDLO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc(C#N)c1O ZINC000866374321 1124058997 /nfs/dbraw/zinc/05/89/97/1124058997.db2.gz CAVDBSNWBGPMEB-VHSXEESVSA-N 1 2 286.297 3.503 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(F)c1C#N ZINC000428467763 1124131881 /nfs/dbraw/zinc/13/18/81/1124131881.db2.gz KEPBBABBHWSGDO-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(F)c1C#N ZINC000428467763 1124131882 /nfs/dbraw/zinc/13/18/82/1124131882.db2.gz KEPBBABBHWSGDO-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[C@H](c1cccs1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428469271 1124134079 /nfs/dbraw/zinc/13/40/79/1124134079.db2.gz SXDIZBFGINCJBE-LLVKDONJSA-N 1 2 274.364 3.952 20 30 CHEDLO C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428469271 1124134080 /nfs/dbraw/zinc/13/40/80/1124134080.db2.gz SXDIZBFGINCJBE-LLVKDONJSA-N 1 2 274.364 3.952 20 30 CHEDLO Cc1cc(F)cc(C[NH+]2CCC(C#N)CC2)c1Cl ZINC001238777276 1131244070 /nfs/dbraw/zinc/24/40/70/1131244070.db2.gz NEDPQPFJHDTVAG-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO Cc1[nH]c(/C=C2/CCc3c(Cl)cccc3C2=O)[nH+]c1C ZINC001119597461 1131258805 /nfs/dbraw/zinc/25/88/05/1131258805.db2.gz PMMMAWNRUCOVNL-FLIBITNWSA-N 1 2 286.762 3.892 20 30 CHEDLO C=CCCC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001119599981 1131259356 /nfs/dbraw/zinc/25/93/56/1131259356.db2.gz CFTQAPHRBKSXPP-DOTOQJQBSA-N 1 2 297.402 3.658 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1ocnc1C)c1ccc(F)c(F)c1 ZINC001119605496 1131260145 /nfs/dbraw/zinc/26/01/45/1131260145.db2.gz UDMPNGJOWYLKDW-OAHLLOKOSA-N 1 2 278.302 3.668 20 30 CHEDLO FC(F)(F)C=C[NH2+]Nc1cc(Cl)nc(Cl)c1 ZINC000819828884 1131265908 /nfs/dbraw/zinc/26/59/08/1131265908.db2.gz STDRNYFHUSCFOA-UHFFFAOYSA-N 1 2 272.057 3.739 20 30 CHEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cs1 ZINC000449039131 1124638310 /nfs/dbraw/zinc/63/83/10/1124638310.db2.gz BCWHSTBVYSGDND-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cs1 ZINC000449039131 1124638313 /nfs/dbraw/zinc/63/83/13/1124638313.db2.gz BCWHSTBVYSGDND-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO C=C(C)COc1cc(C[NH2+][C@H](CC)C(F)F)ccc1OC ZINC000449358363 1124710382 /nfs/dbraw/zinc/71/03/82/1124710382.db2.gz FSGMDOWFBGTPKT-CYBMUJFWSA-N 1 2 299.361 3.783 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3c(C)cccn13)C2 ZINC000125372368 1124886635 /nfs/dbraw/zinc/88/66/35/1124886635.db2.gz WGECSJCSTZKZRD-GDNBJRDFSA-N 1 2 288.350 3.774 20 30 CHEDLO CC[N@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876527469 1124956668 /nfs/dbraw/zinc/95/66/68/1124956668.db2.gz GUZDPMIGPPVKQP-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)cnc1Cl ZINC000876527469 1124956674 /nfs/dbraw/zinc/95/66/74/1124956674.db2.gz GUZDPMIGPPVKQP-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[C@H](c1cccs1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876590134 1124964780 /nfs/dbraw/zinc/96/47/80/1124964780.db2.gz SQIHOUVBGQCHIT-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876590134 1124964786 /nfs/dbraw/zinc/96/47/86/1124964786.db2.gz SQIHOUVBGQCHIT-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000876736376 1124973847 /nfs/dbraw/zinc/97/38/47/1124973847.db2.gz KJHRNMWUEGPSNO-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000876736376 1124973850 /nfs/dbraw/zinc/97/38/50/1124973850.db2.gz KJHRNMWUEGPSNO-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO Cc1cc(NC2CCC(C#N)CC2)ccc1[NH+](C)C ZINC000876844763 1124985362 /nfs/dbraw/zinc/98/53/62/1124985362.db2.gz IOPIJNJGGZGBDY-UHFFFAOYSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc([NH2+]C2CCC(C#N)CC2)ccc1N(C)C ZINC000876844763 1124985368 /nfs/dbraw/zinc/98/53/68/1124985368.db2.gz IOPIJNJGGZGBDY-UHFFFAOYSA-N 1 2 257.381 3.555 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc(F)cc(F)c1 ZINC000126512748 1125028289 /nfs/dbraw/zinc/02/82/89/1125028289.db2.gz DNMLMLOHYKDULQ-SNAWJCMRSA-N 1 2 284.265 3.509 20 30 CHEDLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000879748080 1125229841 /nfs/dbraw/zinc/22/98/41/1125229841.db2.gz YFMISZDUMZQGLB-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000879748080 1125229844 /nfs/dbraw/zinc/22/98/44/1125229844.db2.gz YFMISZDUMZQGLB-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO C[N@H+](Cc1cscc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000880360299 1125266993 /nfs/dbraw/zinc/26/69/93/1125266993.db2.gz TWSCQOOOGDXKJA-MWLCHTKSSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1cscc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000880360299 1125266999 /nfs/dbraw/zinc/26/69/99/1125266999.db2.gz TWSCQOOOGDXKJA-MWLCHTKSSA-N 1 2 299.237 3.635 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577298 1125280720 /nfs/dbraw/zinc/28/07/20/1125280720.db2.gz IRQDSFFQOQWDJG-MOPGFXCFSA-N 1 2 298.430 3.780 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577298 1125280724 /nfs/dbraw/zinc/28/07/24/1125280724.db2.gz IRQDSFFQOQWDJG-MOPGFXCFSA-N 1 2 298.430 3.780 20 30 CHEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136515 1125302043 /nfs/dbraw/zinc/30/20/43/1125302043.db2.gz ZABRYNFXQVITFC-HZPDHXFCSA-N 1 2 297.389 3.512 20 30 CHEDLO C=CCC[C@@H](O)C[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136515 1125302048 /nfs/dbraw/zinc/30/20/48/1125302048.db2.gz ZABRYNFXQVITFC-HZPDHXFCSA-N 1 2 297.389 3.512 20 30 CHEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c[nH+]c1C ZINC000883341879 1125398755 /nfs/dbraw/zinc/39/87/55/1125398755.db2.gz CQCLZCSXDXXNGR-ZDUSSCGKSA-N 1 2 251.333 3.743 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000348226331 1125409143 /nfs/dbraw/zinc/40/91/43/1125409143.db2.gz KCHNUUYUOXDOIE-UHFFFAOYSA-N 1 2 299.370 3.645 20 30 CHEDLO C=C(C)C[N@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000348226331 1125409144 /nfs/dbraw/zinc/40/91/44/1125409144.db2.gz KCHNUUYUOXDOIE-UHFFFAOYSA-N 1 2 299.370 3.645 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc2ccccc2o1 ZINC000133160543 1125434236 /nfs/dbraw/zinc/43/42/36/1125434236.db2.gz OQROGDFCNCJFRT-CMDGGOBGSA-N 1 2 288.306 3.977 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1C ZINC000640029556 1129345322 /nfs/dbraw/zinc/34/53/22/1129345322.db2.gz JEEXURAIDODTLZ-FUHWJXTLSA-N 1 2 298.430 3.939 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1C ZINC000640029556 1129345325 /nfs/dbraw/zinc/34/53/25/1129345325.db2.gz JEEXURAIDODTLZ-FUHWJXTLSA-N 1 2 298.430 3.939 20 30 CHEDLO O=C1c2cccc(Cl)c2C/C1=C\c1c[nH+]c2ccccn12 ZINC000740765241 1129418914 /nfs/dbraw/zinc/41/89/14/1129418914.db2.gz SWFOBLXJQNTDBT-DHZHZOJOSA-N 1 2 294.741 3.810 20 30 CHEDLO CCCCCCCCCCN1CC[NH+](C2CC2)CC1 ZINC000740876156 1129422188 /nfs/dbraw/zinc/42/21/88/1129422188.db2.gz NYGBRQPRPXMTPP-UHFFFAOYSA-N 1 2 266.473 3.907 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H](C)Cc2cccs2)c1 ZINC000741464483 1129436671 /nfs/dbraw/zinc/43/66/71/1129436671.db2.gz PDBDAVNBMSWIDD-UEMWTREESA-N 1 2 289.400 3.760 20 30 CHEDLO COc1ccc([C@H](C)CC/[NH+]=C\c2cccc(O)c2O)cc1 ZINC000741465381 1129437010 /nfs/dbraw/zinc/43/70/10/1129437010.db2.gz VCAAAIDJZQCIKS-CQLSMYGBSA-N 1 2 299.370 3.719 20 30 CHEDLO C[C@@H](C/[NH+]=C/c1ccccc1O)Cc1cccs1 ZINC000741465278 1129437045 /nfs/dbraw/zinc/43/70/45/1129437045.db2.gz TVLAAKBFKKCWBO-PILJQMSFSA-N 1 2 259.374 3.751 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccccc1 ZINC000737442279 1129447802 /nfs/dbraw/zinc/44/78/02/1129447802.db2.gz BEHUPRRMHCYWKQ-BQYQJAHWSA-N 1 2 282.730 3.884 20 30 CHEDLO CC#CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001169073027 1129696405 /nfs/dbraw/zinc/69/64/05/1129696405.db2.gz QUNVAMGCUYUUMD-AWEZNQCLSA-N 1 2 296.183 3.748 20 30 CHEDLO CC#CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001169073027 1129696406 /nfs/dbraw/zinc/69/64/06/1129696406.db2.gz QUNVAMGCUYUUMD-AWEZNQCLSA-N 1 2 296.183 3.748 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001169952648 1129767457 /nfs/dbraw/zinc/76/74/57/1129767457.db2.gz CIVIETJFIKCWKM-UHFFFAOYSA-N 1 2 295.386 3.772 20 30 CHEDLO N#Cc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)c1 ZINC000767364176 1129788795 /nfs/dbraw/zinc/78/87/95/1129788795.db2.gz XBGWGERLZNMZLZ-UHFFFAOYSA-N 1 2 294.358 3.588 20 30 CHEDLO C=CCC[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000381047112 1129834140 /nfs/dbraw/zinc/83/41/40/1129834140.db2.gz DMNWYPMWKNPPMD-JTQLQIEISA-N 1 2 284.197 3.599 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000768153854 1129836831 /nfs/dbraw/zinc/83/68/31/1129836831.db2.gz MXDYHPHDQLWANA-UHFFFAOYSA-N 1 2 272.392 3.623 20 30 CHEDLO C=CCOc1ccccc1C[N@H+](CCC#N)CC(C)C ZINC000768153854 1129836838 /nfs/dbraw/zinc/83/68/38/1129836838.db2.gz MXDYHPHDQLWANA-UHFFFAOYSA-N 1 2 272.392 3.623 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\CCCc2ccccc2C1=O ZINC000901415631 1129922671 /nfs/dbraw/zinc/92/26/71/1129922671.db2.gz NLXRMJSBUFODAZ-GXDHUFHOSA-N 1 2 266.344 3.506 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccsc2S[C@H]1C ZINC000901478630 1129928754 /nfs/dbraw/zinc/92/87/54/1129928754.db2.gz XEVRSWLYMKZGPG-DAVUEJTQSA-N 1 2 290.413 3.725 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1Br ZINC000769961194 1129932059 /nfs/dbraw/zinc/93/20/59/1129932059.db2.gz PWSJNIFJICYROW-VIFPVBQESA-N 1 2 286.600 3.556 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Br ZINC000769961194 1129932063 /nfs/dbraw/zinc/93/20/63/1129932063.db2.gz PWSJNIFJICYROW-VIFPVBQESA-N 1 2 286.600 3.556 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2cccc(C3CC3)c2)[nH+]c1C ZINC000901514610 1129933186 /nfs/dbraw/zinc/93/31/86/1129933186.db2.gz VUAFRBBSWZXXDP-CMDGGOBGSA-N 1 2 266.344 3.800 20 30 CHEDLO CC[C@@H](C)c1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901542454 1129935363 /nfs/dbraw/zinc/93/53/63/1129935363.db2.gz DYNJKXCRQDYFDV-ASCRHOAZSA-N 1 2 268.360 3.830 20 30 CHEDLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C#N)c1 ZINC000903024886 1130102213 /nfs/dbraw/zinc/10/22/13/1130102213.db2.gz OYBHDLWPCFRRMF-CQSZACIVSA-N 1 2 298.415 3.528 20 30 CHEDLO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)c(Cl)c1 ZINC000903101660 1130112232 /nfs/dbraw/zinc/11/22/32/1130112232.db2.gz KNUKYEOZAQEJPY-SNVBAGLBSA-N 1 2 266.772 3.549 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CCCN(c2ccccc2)C1 ZINC000788320526 1130182032 /nfs/dbraw/zinc/18/20/32/1130182032.db2.gz OHTDMBUKJLIUJF-ZHTGWBIJSA-N 1 2 294.398 3.728 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001170090724 1130213312 /nfs/dbraw/zinc/21/33/12/1130213312.db2.gz NKPZCDLIAOALGB-UHFFFAOYSA-N 1 2 281.334 3.741 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc2ccccc2s1 ZINC000780187687 1130231978 /nfs/dbraw/zinc/23/19/78/1130231978.db2.gz IMIPOFIKTICUOB-AATRIKPKSA-N 1 2 254.314 3.521 20 30 CHEDLO N#CC1(c2cccc(-c3ccc4[nH+]ccn4c3)c2)CC1 ZINC001240219391 1130237092 /nfs/dbraw/zinc/23/70/92/1130237092.db2.gz KBVFSFPBLGMLAB-UHFFFAOYSA-N 1 2 259.312 3.556 20 30 CHEDLO C=C(Cl)CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790565325 1130320062 /nfs/dbraw/zinc/32/00/62/1130320062.db2.gz XBJGPCWFAHSATQ-UHFFFAOYSA-N 1 2 264.781 3.858 20 30 CHEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170368829 1130485709 /nfs/dbraw/zinc/48/57/09/1130485709.db2.gz QRKXDQNXXGINMY-ADKAHSJRSA-N 1 2 281.403 3.672 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(NCC#Cc2ccccc2)c1 ZINC001170430120 1130543907 /nfs/dbraw/zinc/54/39/07/1130543907.db2.gz WEOVYKVJDKYYPS-UHFFFAOYSA-N 1 2 287.366 3.551 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC001137646841 1130619735 /nfs/dbraw/zinc/61/97/35/1130619735.db2.gz VNMHOUXHOHTCKT-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)CC1 ZINC001137646841 1130619737 /nfs/dbraw/zinc/61/97/37/1130619737.db2.gz VNMHOUXHOHTCKT-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO C=CCCCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783159209 1130799344 /nfs/dbraw/zinc/79/93/44/1130799344.db2.gz OAWICSZOGGAOGZ-UHFFFAOYSA-N 1 2 264.344 3.613 20 30 CHEDLO CC(=[NH+]OCC1CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000814245073 1130851920 /nfs/dbraw/zinc/85/19/20/1130851920.db2.gz QIBPTUDJGYOCOQ-UHFFFAOYSA-N 1 2 273.163 3.726 20 30 CHEDLO CC(C)c1[nH+]c(C=NOCCC2CC2)c2ccccn21 ZINC000814246534 1130855294 /nfs/dbraw/zinc/85/52/94/1130855294.db2.gz QQGKDMWAMMROQX-UHFFFAOYSA-N 1 2 271.364 3.608 20 30 CHEDLO CCCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000784357909 1130900921 /nfs/dbraw/zinc/90/09/21/1130900921.db2.gz NKMZDXOSAGXSSP-MRXNPFEDSA-N 1 2 286.423 3.844 20 30 CHEDLO CC(=[NH+]Nc1cc(Cl)ccc1Cl)c1ccc(N)nc1 ZINC000814860730 1130925083 /nfs/dbraw/zinc/92/50/83/1130925083.db2.gz KOIBYGNWRTYQSX-UHFFFAOYSA-N 1 2 295.173 3.807 20 30 CHEDLO CCC(=[NH+]OC/C=C\Cl)c1ccc(Cl)c(N)c1 ZINC000814933928 1130939139 /nfs/dbraw/zinc/93/91/39/1130939139.db2.gz FLPFJDCTGCAYFC-DSWLTXPOSA-N 1 2 273.163 3.805 20 30 CHEDLO Cc1nc(NCC(C)(C)S)cc(C2CCCCC2)[nH+]1 ZINC001159268549 1130952564 /nfs/dbraw/zinc/95/25/64/1130952564.db2.gz VZXWVFBEPVYDLL-UHFFFAOYSA-N 1 2 279.453 3.953 20 30 CHEDLO N#Cc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)c(F)c1 ZINC001236534298 1130967708 /nfs/dbraw/zinc/96/77/08/1130967708.db2.gz ARUPKLXOIKJUMS-UHFFFAOYSA-N 1 2 281.265 3.689 20 30 CHEDLO CCc1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001236782731 1131006623 /nfs/dbraw/zinc/00/66/23/1131006623.db2.gz MYSRRTGUEPDHNZ-UHFFFAOYSA-N 1 2 294.398 3.870 20 30 CHEDLO CCc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001236782731 1131006628 /nfs/dbraw/zinc/00/66/28/1131006628.db2.gz MYSRRTGUEPDHNZ-UHFFFAOYSA-N 1 2 294.398 3.870 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236796405 1131009417 /nfs/dbraw/zinc/00/94/17/1131009417.db2.gz ORTRFZSIDJJZDR-UHFFFAOYSA-N 1 2 287.190 3.825 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236796405 1131009422 /nfs/dbraw/zinc/00/94/22/1131009422.db2.gz ORTRFZSIDJJZDR-UHFFFAOYSA-N 1 2 287.190 3.825 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccccc1OC(C)(C)C ZINC001237030703 1131039061 /nfs/dbraw/zinc/03/90/61/1131039061.db2.gz FSUIHWSBFNPTCO-UHFFFAOYSA-N 1 2 274.408 3.990 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccccc1OC(C)(C)C ZINC001237030703 1131039065 /nfs/dbraw/zinc/03/90/65/1131039065.db2.gz FSUIHWSBFNPTCO-UHFFFAOYSA-N 1 2 274.408 3.990 20 30 CHEDLO N#CCC[N@@H+](Cc1cnc(Cl)c(F)c1)C1CCCC1 ZINC001237402219 1131095547 /nfs/dbraw/zinc/09/55/47/1131095547.db2.gz MWNRCQQGEGCGKS-UHFFFAOYSA-N 1 2 281.762 3.532 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)Cc2ccccc21 ZINC001237524213 1131110677 /nfs/dbraw/zinc/11/06/77/1131110677.db2.gz GVGQPNKBHFJLOG-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)Cc2ccccc21 ZINC001237524213 1131110678 /nfs/dbraw/zinc/11/06/78/1131110678.db2.gz GVGQPNKBHFJLOG-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC001238085521 1131169457 /nfs/dbraw/zinc/16/94/57/1131169457.db2.gz IERQYYIZGMRROZ-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC001238085521 1131169458 /nfs/dbraw/zinc/16/94/58/1131169458.db2.gz IERQYYIZGMRROZ-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[N@H+](CC(=O)c1ccccc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238193319 1131179543 /nfs/dbraw/zinc/17/95/43/1131179543.db2.gz AOQWXPGOHJSJNG-UHFFFAOYSA-N 1 2 298.773 3.526 20 30 CHEDLO C[N@@H+](CC(=O)c1ccccc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238193319 1131179545 /nfs/dbraw/zinc/17/95/45/1131179545.db2.gz AOQWXPGOHJSJNG-UHFFFAOYSA-N 1 2 298.773 3.526 20 30 CHEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(Cl)s1 ZINC001117350873 1131186712 /nfs/dbraw/zinc/18/67/12/1131186712.db2.gz NBFXSRASRHBNHG-AATRIKPKSA-N 1 2 292.791 3.759 20 30 CHEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N)cc2Cl)c1 ZINC001117678720 1131191267 /nfs/dbraw/zinc/19/12/67/1131191267.db2.gz FTMVCMSXWCNMIA-UHFFFAOYSA-N 1 2 293.729 3.516 20 30 CHEDLO COc1cc(F)ccc1-c1cccc(C[N@H+](C)CCC#N)c1 ZINC001238633703 1131227101 /nfs/dbraw/zinc/22/71/01/1131227101.db2.gz OUBUPDYQTWMGLZ-UHFFFAOYSA-N 1 2 298.361 3.847 20 30 CHEDLO COc1cc(F)ccc1-c1cccc(C[N@@H+](C)CCC#N)c1 ZINC001238633703 1131227106 /nfs/dbraw/zinc/22/71/06/1131227106.db2.gz OUBUPDYQTWMGLZ-UHFFFAOYSA-N 1 2 298.361 3.847 20 30 CHEDLO C=C(Br)C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000829849170 1131436422 /nfs/dbraw/zinc/43/64/22/1131436422.db2.gz HGZTXFNOOJABCA-UHFFFAOYSA-N 1 2 295.224 3.511 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000829849170 1131436424 /nfs/dbraw/zinc/43/64/24/1131436424.db2.gz HGZTXFNOOJABCA-UHFFFAOYSA-N 1 2 295.224 3.511 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](C)Cc2cccc(C#N)c2)c1F ZINC001138121138 1131469726 /nfs/dbraw/zinc/46/97/26/1131469726.db2.gz YLEAIUHOFRLULK-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1F ZINC001138121138 1131469728 /nfs/dbraw/zinc/46/97/28/1131469728.db2.gz YLEAIUHOFRLULK-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc2cc(N[C@@H]3CCc4c3cccc4C#N)[nH+]cc2[nH]1 ZINC001171061140 1131477557 /nfs/dbraw/zinc/47/75/57/1131477557.db2.gz OOQZLZUPOVBYOJ-MRXNPFEDSA-N 1 2 288.354 3.842 20 30 CHEDLO CC(C)Oc1cc(N[C@@H]2CCc3c2cccc3C#N)cc[nH+]1 ZINC001171065089 1131483624 /nfs/dbraw/zinc/48/36/24/1131483624.db2.gz UGLVUIRKYAPSNJ-QGZVFWFLSA-N 1 2 293.370 3.840 20 30 CHEDLO C=CC[N@H+](Cc1c(Cl)cccc1C#N)C(C)(C)C ZINC001143732187 1131528896 /nfs/dbraw/zinc/52/88/96/1131528896.db2.gz MZEBNKYGPFJSRZ-UHFFFAOYSA-N 1 2 262.784 3.998 20 30 CHEDLO C=CC[N@@H+](Cc1c(Cl)cccc1C#N)C(C)(C)C ZINC001143732187 1131528899 /nfs/dbraw/zinc/52/88/99/1131528899.db2.gz MZEBNKYGPFJSRZ-UHFFFAOYSA-N 1 2 262.784 3.998 20 30 CHEDLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143897403 1131549123 /nfs/dbraw/zinc/54/91/23/1131549123.db2.gz DVLFDOMLORUPOG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143897403 1131549127 /nfs/dbraw/zinc/54/91/27/1131549127.db2.gz DVLFDOMLORUPOG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001139023257 1131574151 /nfs/dbraw/zinc/57/41/51/1131574151.db2.gz SUADEWMPILHFIA-LLVKDONJSA-N 1 2 274.414 3.822 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001139023257 1131574154 /nfs/dbraw/zinc/57/41/54/1131574154.db2.gz SUADEWMPILHFIA-LLVKDONJSA-N 1 2 274.414 3.822 20 30 CHEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171137410 1131583665 /nfs/dbraw/zinc/58/36/65/1131583665.db2.gz ZYVGAPRQUMVHOH-MRXNPFEDSA-N 1 2 276.811 3.823 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171137410 1131583670 /nfs/dbraw/zinc/58/36/70/1131583670.db2.gz ZYVGAPRQUMVHOH-MRXNPFEDSA-N 1 2 276.811 3.823 20 30 CHEDLO N#C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164238 1131619433 /nfs/dbraw/zinc/61/94/33/1131619433.db2.gz OCAGEGJAUWCMBT-MFKMUULPSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164238 1131619435 /nfs/dbraw/zinc/61/94/35/1131619435.db2.gz OCAGEGJAUWCMBT-MFKMUULPSA-N 1 2 295.213 3.696 20 30 CHEDLO C[N@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1C#N ZINC001139687586 1131628746 /nfs/dbraw/zinc/62/87/46/1131628746.db2.gz SVYVPZFQPBGRNT-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1C#N ZINC001139687586 1131628750 /nfs/dbraw/zinc/62/87/50/1131628750.db2.gz SVYVPZFQPBGRNT-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001139686721 1131628932 /nfs/dbraw/zinc/62/89/32/1131628932.db2.gz CRZXXTJPPZQTFF-TXEJJXNPSA-N 1 2 296.748 3.689 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001139686721 1131628933 /nfs/dbraw/zinc/62/89/33/1131628933.db2.gz CRZXXTJPPZQTFF-TXEJJXNPSA-N 1 2 296.748 3.689 20 30 CHEDLO Cc1ccc(C)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)n1 ZINC001171177117 1131629535 /nfs/dbraw/zinc/62/95/35/1131629535.db2.gz FOHKQHQOBHLTLA-UHFFFAOYSA-N 1 2 291.354 3.594 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)cc1C#N ZINC001139722930 1131632081 /nfs/dbraw/zinc/63/20/81/1131632081.db2.gz KZEAYTQCISXIBT-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)cc1C#N ZINC001139722930 1131632083 /nfs/dbraw/zinc/63/20/83/1131632083.db2.gz KZEAYTQCISXIBT-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO N#CC1(C[NH2+]Cc2cscc2Br)CCCC1 ZINC000846011716 1131678369 /nfs/dbraw/zinc/67/83/69/1131678369.db2.gz YBTPANKSSGPYCY-UHFFFAOYSA-N 1 2 299.237 3.684 20 30 CHEDLO CCCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246596945 1131711005 /nfs/dbraw/zinc/71/10/05/1131711005.db2.gz ZRJFSSFYMBREQK-SJORKVTESA-N 1 2 279.472 3.703 20 30 CHEDLO CC(=[NH+]OC(C)C)c1cc(Cl)c(N)c(Cl)c1 ZINC000835001252 1131752649 /nfs/dbraw/zinc/75/26/49/1131752649.db2.gz XCYQBEXYTARZMM-UHFFFAOYSA-N 1 2 261.152 3.725 20 30 CHEDLO CC(C)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000847053277 1131778170 /nfs/dbraw/zinc/77/81/70/1131778170.db2.gz MRFYOAHDUQCVNO-UHFFFAOYSA-N 1 2 295.386 3.839 20 30 CHEDLO C=C[C@@H](C#CC(C)(C)C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228330118 1131859778 /nfs/dbraw/zinc/85/97/78/1131859778.db2.gz VJZLHSMVFDVIQG-ZDUSSCGKSA-N 1 2 268.360 3.854 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)C2CCCCCCC2)[nH]n1 ZINC001203075605 1131958090 /nfs/dbraw/zinc/95/80/90/1131958090.db2.gz LXJQRXXMZJAWHI-UHFFFAOYSA-N 1 2 274.412 3.547 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)C2CCCCCCC2)[nH]n1 ZINC001203075605 1131958097 /nfs/dbraw/zinc/95/80/97/1131958097.db2.gz LXJQRXXMZJAWHI-UHFFFAOYSA-N 1 2 274.412 3.547 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140944790 1131969881 /nfs/dbraw/zinc/96/98/81/1131969881.db2.gz SSFKUQHWCODRDQ-UHFFFAOYSA-N 1 2 287.794 3.866 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140944790 1131969886 /nfs/dbraw/zinc/96/98/86/1131969886.db2.gz SSFKUQHWCODRDQ-UHFFFAOYSA-N 1 2 287.794 3.866 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1sc(N)c(C#N)c1Cl ZINC001141114298 1132022322 /nfs/dbraw/zinc/02/23/22/1132022322.db2.gz KWSLUMAYJPLTLK-UHFFFAOYSA-N 1 2 297.836 3.549 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1sc(N)c(C#N)c1Cl ZINC001141114298 1132022328 /nfs/dbraw/zinc/02/23/28/1132022328.db2.gz KWSLUMAYJPLTLK-UHFFFAOYSA-N 1 2 297.836 3.549 20 30 CHEDLO CCCCCCC[C@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001172354846 1132183947 /nfs/dbraw/zinc/18/39/47/1132183947.db2.gz KXHUDWSKXXIPDG-KBPBESRZSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001172354846 1132183949 /nfs/dbraw/zinc/18/39/49/1132183949.db2.gz KXHUDWSKXXIPDG-KBPBESRZSA-N 1 2 257.393 3.738 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172336731 1132175085 /nfs/dbraw/zinc/17/50/85/1132175085.db2.gz NWPISBCTQAXCFH-OLZOCXBDSA-N 1 2 253.361 3.867 20 30 CHEDLO N#C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC001231081326 1132253235 /nfs/dbraw/zinc/25/32/35/1132253235.db2.gz KLPVPYIYUHNNKG-INIZCTEOSA-N 1 2 275.311 3.720 20 30 CHEDLO C[C@H](C#C[Si](C)(C)C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083954 1132255002 /nfs/dbraw/zinc/25/50/02/1132255002.db2.gz QPSDCVFNUNJTAW-CQSZACIVSA-N 1 2 298.462 3.735 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2cc(F)c(F)cc2nc1Cl ZINC001142044400 1132307997 /nfs/dbraw/zinc/30/79/97/1132307997.db2.gz DKKHNUQTDXVHID-UHFFFAOYSA-N 1 2 282.721 3.784 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2cc(F)c(F)cc2nc1Cl ZINC001142044400 1132308004 /nfs/dbraw/zinc/30/80/04/1132308004.db2.gz DKKHNUQTDXVHID-UHFFFAOYSA-N 1 2 282.721 3.784 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(CSC(F)F)o2)CCC1 ZINC000841898586 1132401617 /nfs/dbraw/zinc/40/16/17/1132401617.db2.gz OJNYPYXJDYOWBE-UHFFFAOYSA-N 1 2 286.347 3.519 20 30 CHEDLO C#CC[N@@H+](Cc1cc(-c2ccccc2Cl)on1)C1CC1 ZINC000842155585 1132412034 /nfs/dbraw/zinc/41/20/34/1132412034.db2.gz IIGVOXBKYQZLPR-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C#CC[N@H+](Cc1cc(-c2ccccc2Cl)on1)C1CC1 ZINC000842155585 1132412036 /nfs/dbraw/zinc/41/20/36/1132412036.db2.gz IIGVOXBKYQZLPR-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001232100934 1132422161 /nfs/dbraw/zinc/42/21/61/1132422161.db2.gz BZJLNAYJVHFSNM-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173262085 1132430254 /nfs/dbraw/zinc/43/02/54/1132430254.db2.gz RXPQGVCKQYLOKM-CABCVRRESA-N 1 2 281.465 3.865 20 30 CHEDLO CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173262085 1132430257 /nfs/dbraw/zinc/43/02/57/1132430257.db2.gz RXPQGVCKQYLOKM-CABCVRRESA-N 1 2 281.465 3.865 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(C)cc1Br)C(C)(C)C ZINC001232178210 1132432250 /nfs/dbraw/zinc/43/22/50/1132432250.db2.gz NDOLPBIOXBWGKF-UHFFFAOYSA-N 1 2 297.240 3.939 20 30 CHEDLO C=CC[N@H+](Cc1ncc(C)cc1Br)C(C)(C)C ZINC001232178210 1132432255 /nfs/dbraw/zinc/43/22/55/1132432255.db2.gz NDOLPBIOXBWGKF-UHFFFAOYSA-N 1 2 297.240 3.939 20 30 CHEDLO C=CC[N@@H+](Cc1nc(CC)cs1)Cc1ccccc1 ZINC001232475948 1132474790 /nfs/dbraw/zinc/47/47/90/1132474790.db2.gz UPPOFBLDBPWBQQ-UHFFFAOYSA-N 1 2 272.417 3.894 20 30 CHEDLO C=CC[N@H+](Cc1nc(CC)cs1)Cc1ccccc1 ZINC001232475948 1132474797 /nfs/dbraw/zinc/47/47/97/1132474797.db2.gz UPPOFBLDBPWBQQ-UHFFFAOYSA-N 1 2 272.417 3.894 20 30 CHEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)c1 ZINC001232480737 1132477756 /nfs/dbraw/zinc/47/77/56/1132477756.db2.gz IMCLDIFPCFYRDI-GOSISDBHSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)c1 ZINC001232480737 1132477759 /nfs/dbraw/zinc/47/77/59/1132477759.db2.gz IMCLDIFPCFYRDI-GOSISDBHSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001232605651 1132491851 /nfs/dbraw/zinc/49/18/51/1132491851.db2.gz CVVCWCNQXDPVDL-BETUJISGSA-N 1 2 296.748 3.689 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001232605651 1132491856 /nfs/dbraw/zinc/49/18/56/1132491856.db2.gz CVVCWCNQXDPVDL-BETUJISGSA-N 1 2 296.748 3.689 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001232679839 1132504195 /nfs/dbraw/zinc/50/41/95/1132504195.db2.gz SYXROAJDBPYXJC-KRWDZBQOSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001232679839 1132504202 /nfs/dbraw/zinc/50/42/02/1132504202.db2.gz SYXROAJDBPYXJC-KRWDZBQOSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001232679395 1132504826 /nfs/dbraw/zinc/50/48/26/1132504826.db2.gz IXKMOBLATBPRHQ-CQSZACIVSA-N 1 2 284.384 3.662 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001232679395 1132504831 /nfs/dbraw/zinc/50/48/31/1132504831.db2.gz IXKMOBLATBPRHQ-CQSZACIVSA-N 1 2 284.384 3.662 20 30 CHEDLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(C#N)s1 ZINC001232845934 1132528573 /nfs/dbraw/zinc/52/85/73/1132528573.db2.gz YPYTWCAUSPJPRW-UHFFFAOYSA-N 1 2 298.411 3.713 20 30 CHEDLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(C#N)s1 ZINC001232845934 1132528577 /nfs/dbraw/zinc/52/85/77/1132528577.db2.gz YPYTWCAUSPJPRW-UHFFFAOYSA-N 1 2 298.411 3.713 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)n1 ZINC001232924644 1132545768 /nfs/dbraw/zinc/54/57/68/1132545768.db2.gz QFQVJLMAXDCKJA-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)n1 ZINC001232924644 1132545773 /nfs/dbraw/zinc/54/57/73/1132545773.db2.gz QFQVJLMAXDCKJA-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1[nH]ccc1C#N ZINC001233048158 1132568542 /nfs/dbraw/zinc/56/85/42/1132568542.db2.gz XTAJUPAUUQZKPE-NSHDSACASA-N 1 2 273.767 3.733 20 30 CHEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233048158 1132568549 /nfs/dbraw/zinc/56/85/49/1132568549.db2.gz XTAJUPAUUQZKPE-NSHDSACASA-N 1 2 273.767 3.733 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233210745 1132580991 /nfs/dbraw/zinc/58/09/91/1132580991.db2.gz FQMZLTVKEPOTOZ-OAHLLOKOSA-N 1 2 296.345 3.963 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233210745 1132580996 /nfs/dbraw/zinc/58/09/96/1132580996.db2.gz FQMZLTVKEPOTOZ-OAHLLOKOSA-N 1 2 296.345 3.963 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(Cc2ccccc2)cc1 ZINC001233329599 1132601175 /nfs/dbraw/zinc/60/11/75/1132601175.db2.gz CEFHGQKQABMVLC-UHFFFAOYSA-N 1 2 264.372 3.623 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(Cc2ccccc2)cc1 ZINC001233329599 1132601179 /nfs/dbraw/zinc/60/11/79/1132601179.db2.gz CEFHGQKQABMVLC-UHFFFAOYSA-N 1 2 264.372 3.623 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NCCc3ccsc3)c2c1 ZINC001156520792 1132701715 /nfs/dbraw/zinc/70/17/15/1132701715.db2.gz DTTJILZMPNRZKA-UHFFFAOYSA-N 1 2 279.368 3.823 20 30 CHEDLO CN(c1cc(CC#N)cc[nH+]1)C(C)(C)Cc1ccccc1 ZINC001156515919 1132702036 /nfs/dbraw/zinc/70/20/36/1132702036.db2.gz UAOLJFPHRGRWKG-UHFFFAOYSA-N 1 2 279.387 3.605 20 30 CHEDLO C=CCN(c1cc(N2CCC[C@H](C)C2)[nH+]cn1)C(C)(C)C ZINC001157585944 1132735451 /nfs/dbraw/zinc/73/54/51/1132735451.db2.gz XIORUVSJTKRRRW-AWEZNQCLSA-N 1 2 288.439 3.504 20 30 CHEDLO C=CCN(c1cc(N2CCC[C@H](C)C2)nc[nH+]1)C(C)(C)C ZINC001157585944 1132735456 /nfs/dbraw/zinc/73/54/56/1132735456.db2.gz XIORUVSJTKRRRW-AWEZNQCLSA-N 1 2 288.439 3.504 20 30 CHEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)C(C)(C)C ZINC001157875505 1132751590 /nfs/dbraw/zinc/75/15/90/1132751590.db2.gz FJJNYEBCKAXYKD-NSHDSACASA-N 1 2 253.349 3.953 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C#N)c1 ZINC001174522230 1132912869 /nfs/dbraw/zinc/91/28/69/1132912869.db2.gz LOFAFLJFKLUGJU-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#CCc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523894 1132913434 /nfs/dbraw/zinc/91/34/34/1132913434.db2.gz XGSYYNPGQIYYKW-UHFFFAOYSA-N 1 2 292.386 3.882 20 30 CHEDLO CC(C)C[C@@H](Nc1cc(CC#N)cc[nH+]1)c1ccccn1 ZINC001160487729 1132972603 /nfs/dbraw/zinc/97/26/03/1132972603.db2.gz ZDWQZYFQQHWDON-MRXNPFEDSA-N 1 2 280.375 3.742 20 30 CHEDLO CC(C)(CNc1cc(CC#N)cc[nH+]1)Cc1ccccc1F ZINC001162133006 1133053684 /nfs/dbraw/zinc/05/36/84/1133053684.db2.gz MGAPEAUBJMYTOB-UHFFFAOYSA-N 1 2 297.377 3.968 20 30 CHEDLO N#CC1(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)CCC1 ZINC001162313318 1133068649 /nfs/dbraw/zinc/06/86/49/1133068649.db2.gz VAQZHNAFYCKVBZ-UHFFFAOYSA-N 1 2 288.354 3.884 20 30 CHEDLO N#CCc1cc[nH+]c(NC[C@@H]2CCCc3ccccc32)c1 ZINC001162555944 1133091654 /nfs/dbraw/zinc/09/16/54/1133091654.db2.gz WNPMDEGKGZBDFU-INIZCTEOSA-N 1 2 277.371 3.680 20 30 CHEDLO C[C@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)[C@H]1C ZINC001166609241 1133273976 /nfs/dbraw/zinc/27/39/76/1133273976.db2.gz HBWQRJUNWROMOW-STQMWFEESA-N 1 2 265.360 3.731 20 30 CHEDLO Cc1ccc(CC[N@H+](CC#N)C2CCCC2)cc1C ZINC001204680637 1133475313 /nfs/dbraw/zinc/47/53/13/1133475313.db2.gz DPKPDEUKCUIIEG-UHFFFAOYSA-N 1 2 256.393 3.614 20 30 CHEDLO Cc1ccc(CC[N@@H+](CC#N)C2CCCC2)cc1C ZINC001204680637 1133475315 /nfs/dbraw/zinc/47/53/15/1133475315.db2.gz DPKPDEUKCUIIEG-UHFFFAOYSA-N 1 2 256.393 3.614 20 30 CHEDLO C#CC[NH+](CC#C)Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001204717198 1133478681 /nfs/dbraw/zinc/47/86/81/1133478681.db2.gz BSBHMKIVWOYMGA-UHFFFAOYSA-N 1 2 283.758 3.668 20 30 CHEDLO CC(C)(C#N)c1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204983326 1133512398 /nfs/dbraw/zinc/51/23/98/1133512398.db2.gz RRUNQHHNAVYZHC-UHFFFAOYSA-N 1 2 276.343 3.879 20 30 CHEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204991777 1133513843 /nfs/dbraw/zinc/51/38/43/1133513843.db2.gz VGYPTJBWPQJXSE-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1sccc1Cl)C2 ZINC001205319566 1133560156 /nfs/dbraw/zinc/56/01/56/1133560156.db2.gz HEZQPLVIDLERGR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1sccc1Cl)C2 ZINC001205319566 1133560161 /nfs/dbraw/zinc/56/01/61/1133560161.db2.gz HEZQPLVIDLERGR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO Cn1c(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc2ccccc21 ZINC001206456485 1133704399 /nfs/dbraw/zinc/70/43/99/1133704399.db2.gz MYWBCHCBBJLVQV-UHFFFAOYSA-N 1 2 287.366 3.566 20 30 CHEDLO Cn1c(C[N@H+]2Cc3ccc(C#N)cc3C2)cc2ccccc21 ZINC001206456485 1133704404 /nfs/dbraw/zinc/70/44/04/1133704404.db2.gz MYWBCHCBBJLVQV-UHFFFAOYSA-N 1 2 287.366 3.566 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(C)cc1OC ZINC001206762684 1133745062 /nfs/dbraw/zinc/74/50/62/1133745062.db2.gz PFADKMCBTSWBNK-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO CC1(C#N)C[NH+](CC(c2ccccc2)c2ccccc2)C1 ZINC001207522759 1133815485 /nfs/dbraw/zinc/81/54/85/1133815485.db2.gz LDCIOJFGTZYVQY-UHFFFAOYSA-N 1 2 276.383 3.664 20 30 CHEDLO C#Cc1ccc(NCc2cc(C)[nH+]c(C)c2)c(Cl)c1 ZINC001207705429 1133840798 /nfs/dbraw/zinc/84/07/98/1133840798.db2.gz ZEQQBXFNFNOMKO-UHFFFAOYSA-N 1 2 270.763 3.945 20 30 CHEDLO C[C@@H](C[N@@H+]1CCC[C@H]1C#N)c1cccc2ccccc21 ZINC001208703397 1133930271 /nfs/dbraw/zinc/93/02/71/1133930271.db2.gz DYFBRZDEOVRDCW-HOCLYGCPSA-N 1 2 264.372 3.931 20 30 CHEDLO C[C@@H](C[N@H+]1CCC[C@H]1C#N)c1cccc2ccccc21 ZINC001208703397 1133930273 /nfs/dbraw/zinc/93/02/73/1133930273.db2.gz DYFBRZDEOVRDCW-HOCLYGCPSA-N 1 2 264.372 3.931 20 30 CHEDLO C[C@H](C[NH+]1CC(C)(C#N)C1)c1cccc2ccccc21 ZINC001208707355 1133932723 /nfs/dbraw/zinc/93/27/23/1133932723.db2.gz RSOYWDMSODNFHA-CQSZACIVSA-N 1 2 264.372 3.789 20 30 CHEDLO Cc1cc(Nc2ccc(C#N)cc2C#N)ccc1[NH+](C)C ZINC001210043482 1134132281 /nfs/dbraw/zinc/13/22/81/1134132281.db2.gz GGMVPBBEMFTFEX-UHFFFAOYSA-N 1 2 276.343 3.548 20 30 CHEDLO N#Cc1ccc(Cl)nc1Nc1ccc2c[nH+]ccc2c1 ZINC001210045364 1134133177 /nfs/dbraw/zinc/13/31/77/1134133177.db2.gz JMCLKTXWRLSSIQ-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO CSc1cc(Nc2ccc(C#N)cc2C)cc[nH+]1 ZINC001210374075 1134200536 /nfs/dbraw/zinc/20/05/36/1134200536.db2.gz HBCSFALQUXDPJK-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(C#N)cc2C)[nH+]1 ZINC001210371125 1134201292 /nfs/dbraw/zinc/20/12/92/1134201292.db2.gz IRTIBSMJESNYFD-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001210374241 1134201330 /nfs/dbraw/zinc/20/13/30/1134201330.db2.gz IVKMJJKQYKPHDQ-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1cn2c(cccc2Nc2cc(C)cc(C#N)c2)[nH+]1 ZINC001210387020 1134205763 /nfs/dbraw/zinc/20/57/63/1134205763.db2.gz FSTGUSLJZMJEJN-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO C[C@H]1CC(=O)C=C(Nc2cc[nH+]c(C3CCC3)c2)C1 ZINC001210770992 1134292035 /nfs/dbraw/zinc/29/20/35/1134292035.db2.gz IINHTECRLWPABM-LLVKDONJSA-N 1 2 256.349 3.644 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCCC3)c(C#N)c2)[nH+]c1 ZINC001211011884 1134349019 /nfs/dbraw/zinc/34/90/19/1134349019.db2.gz HLKFFPODWJELQV-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1ccc(C)c(Nc2c[nH+]cc(C)c2C)c1C#N ZINC001213536899 1134462707 /nfs/dbraw/zinc/46/27/07/1134462707.db2.gz RCOPOTYVVGDFTP-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO COc1ccc(Nc2[nH+]cccc2C(C)C)cc1C#N ZINC001214998904 1134592386 /nfs/dbraw/zinc/59/23/86/1134592386.db2.gz NTFILPKXFSYXFN-UHFFFAOYSA-N 1 2 267.332 3.829 20 30 CHEDLO Cc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1C#N ZINC001216074413 1134767147 /nfs/dbraw/zinc/76/71/47/1134767147.db2.gz GFUCLFBJDAKMPC-UHFFFAOYSA-N 1 2 293.248 3.904 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001216173611 1134794289 /nfs/dbraw/zinc/79/42/89/1134794289.db2.gz ZPFLIGRTDVJYHN-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1c(C#N)cccc1Nc1[nH+]cccc1N1CCCCC1 ZINC001216176605 1134795486 /nfs/dbraw/zinc/79/54/86/1134795486.db2.gz YYNOLZASKWEHFN-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cccc(Cl)c2C#N)c1 ZINC000404496890 1134945730 /nfs/dbraw/zinc/94/57/30/1134945730.db2.gz VWMZNMCSARJYHC-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2c(F)cc(C#N)cc2F)c1 ZINC000404470915 1134946199 /nfs/dbraw/zinc/94/61/99/1134946199.db2.gz DHJDZLJYUGJCSN-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C=CCCCCCCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217855613 1135010007 /nfs/dbraw/zinc/01/00/07/1135010007.db2.gz MTNPFCMWJZEKCE-ZDUSSCGKSA-N 1 2 261.356 3.527 20 30 CHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219557230 1135135585 /nfs/dbraw/zinc/13/55/85/1135135585.db2.gz UHYYUHFVJAQIAB-DZGCQCFKSA-N 1 2 298.390 3.591 20 30 CHEDLO CCOC(=[NH2+])CCCCO[C@H](CC#N)c1ccccc1 ZINC001224965213 1135497195 /nfs/dbraw/zinc/49/71/95/1135497195.db2.gz GYOIKIRPKCKSSH-OAHLLOKOSA-N 1 2 274.364 3.842 20 30 CHEDLO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2c(C)cc[nH+]c2C)O1 ZINC001227264171 1135812098 /nfs/dbraw/zinc/81/20/98/1135812098.db2.gz KJMXWITVWWWSIL-YOEHRIQHSA-N 1 2 275.392 3.980 20 30 CHEDLO Cc1cc[nH+]c(C)c1O[C@@H](CC#N)c1ccccc1 ZINC001227266232 1135813202 /nfs/dbraw/zinc/81/32/02/1135813202.db2.gz ZLDHKXLOJYWMGC-HNNXBMFYSA-N 1 2 252.317 3.732 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352571690 227072530 /nfs/dbraw/zinc/07/25/30/227072530.db2.gz XXULSAPXINBNAX-UHFFFAOYSA-N 1 2 282.318 3.580 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352571690 227072535 /nfs/dbraw/zinc/07/25/35/227072535.db2.gz XXULSAPXINBNAX-UHFFFAOYSA-N 1 2 282.318 3.580 20 30 CHEDLO N#Cc1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000354819159 227136621 /nfs/dbraw/zinc/13/66/21/227136621.db2.gz CUKVLPFOZWQEBR-UHFFFAOYSA-N 1 2 274.327 3.560 20 30 CHEDLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352822725 227259431 /nfs/dbraw/zinc/25/94/31/227259431.db2.gz LDRODNLDTHSHSJ-LLVKDONJSA-N 1 2 297.383 3.920 20 30 CHEDLO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2nc(C#N)cs2)c1 ZINC000356057872 228104220 /nfs/dbraw/zinc/10/42/20/228104220.db2.gz FVUYATJGCPYZBJ-ZDUSSCGKSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2nc(C#N)cs2)c1 ZINC000356057872 228104222 /nfs/dbraw/zinc/10/42/22/228104222.db2.gz FVUYATJGCPYZBJ-ZDUSSCGKSA-N 1 2 285.416 3.825 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)s1 ZINC000297785800 260134326 /nfs/dbraw/zinc/13/43/26/260134326.db2.gz GZCLXQIHBMGQGX-LBPRGKRZSA-N 1 2 273.405 3.596 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)s1 ZINC000297785800 260134327 /nfs/dbraw/zinc/13/43/27/260134327.db2.gz GZCLXQIHBMGQGX-LBPRGKRZSA-N 1 2 273.405 3.596 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000299198568 260174011 /nfs/dbraw/zinc/17/40/11/260174011.db2.gz FGOCBKFOFDUWNQ-SNVBAGLBSA-N 1 2 295.745 3.587 20 30 CHEDLO CCCCCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120246506 260702096 /nfs/dbraw/zinc/70/20/96/260702096.db2.gz IHTGXQDHDYAMLU-AWEZNQCLSA-N 1 2 277.412 3.824 20 30 CHEDLO C[C@@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1ccccn1 ZINC000132309358 260888697 /nfs/dbraw/zinc/88/86/97/260888697.db2.gz JGXCQRIJMSRZCD-KRWDZBQOSA-N 1 2 293.414 3.676 20 30 CHEDLO C[C@@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000132309358 260888698 /nfs/dbraw/zinc/88/86/98/260888698.db2.gz JGXCQRIJMSRZCD-KRWDZBQOSA-N 1 2 293.414 3.676 20 30 CHEDLO CC[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1C#N ZINC000187156051 262126356 /nfs/dbraw/zinc/12/63/56/262126356.db2.gz RYUCGDNUULAVQR-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1C#N ZINC000187156051 262126358 /nfs/dbraw/zinc/12/63/58/262126358.db2.gz RYUCGDNUULAVQR-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(O)c1OC ZINC000272218908 263002653 /nfs/dbraw/zinc/00/26/53/263002653.db2.gz BPCZBMCARSYPCP-UHFFFAOYSA-N 1 2 290.407 3.553 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(O)c1OC ZINC000272218908 263002654 /nfs/dbraw/zinc/00/26/54/263002654.db2.gz BPCZBMCARSYPCP-UHFFFAOYSA-N 1 2 290.407 3.553 20 30 CHEDLO CC(C)c1cc(N2CCC(C)(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000272419268 263004168 /nfs/dbraw/zinc/00/41/68/263004168.db2.gz DTAXRGONNKRGGU-UHFFFAOYSA-N 1 2 286.423 3.853 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000272485268 263005253 /nfs/dbraw/zinc/00/52/53/263005253.db2.gz BMEUDOGBMZMYGX-UHFFFAOYSA-N 1 2 289.448 3.926 20 30 CHEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(C)(C#N)CC1 ZINC000276225657 263035495 /nfs/dbraw/zinc/03/54/95/263035495.db2.gz LRLBROLPCBRHRR-UHFFFAOYSA-N 1 2 295.386 3.682 20 30 CHEDLO COc1cc(C)[nH+]c(CSCCC(C)(C)C#N)c1 ZINC000276579043 263037343 /nfs/dbraw/zinc/03/73/43/263037343.db2.gz GKIUIKSBSVGUNM-UHFFFAOYSA-N 1 2 264.394 3.572 20 30 CHEDLO CC(C)(C#N)CCSCc1cn2ccccc2[nH+]1 ZINC000276597347 263037539 /nfs/dbraw/zinc/03/75/39/263037539.db2.gz JNCVEWHQUYQBSH-UHFFFAOYSA-N 1 2 259.378 3.507 20 30 CHEDLO Cc1cccc([N@H+](C)CCCC2(C#N)CCOCC2)c1C ZINC000281953181 263073318 /nfs/dbraw/zinc/07/33/18/263073318.db2.gz JUJDXTAOGOQLLC-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO Cc1cccc([N@@H+](C)CCCC2(C#N)CCOCC2)c1C ZINC000281953181 263073319 /nfs/dbraw/zinc/07/33/19/263073319.db2.gz JUJDXTAOGOQLLC-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000282994428 263080201 /nfs/dbraw/zinc/08/02/01/263080201.db2.gz FEUXGMCZFVLBMX-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CC[C@@H]([NH2+]CCCCC#N)c1cccc(Cl)c1O ZINC000287765988 263102638 /nfs/dbraw/zinc/10/26/38/263102638.db2.gz RFWKCIFRAKDGJG-CYBMUJFWSA-N 1 2 266.772 3.780 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000292823698 263135415 /nfs/dbraw/zinc/13/54/15/263135415.db2.gz OCZXFVCUVJCEQT-CYBMUJFWSA-N 1 2 259.397 3.501 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000292823698 263135416 /nfs/dbraw/zinc/13/54/16/263135416.db2.gz OCZXFVCUVJCEQT-CYBMUJFWSA-N 1 2 259.397 3.501 20 30 CHEDLO N#CC[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000294888270 263168917 /nfs/dbraw/zinc/16/89/17/263168917.db2.gz CRYPXOOKWPMFLH-JSGCOSHPSA-N 1 2 251.333 3.729 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCCCC1(F)F ZINC000294886457 263169038 /nfs/dbraw/zinc/16/90/38/263169038.db2.gz FYWQQXDPKZQWPP-CYBMUJFWSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCCCC1(F)F ZINC000294886457 263169039 /nfs/dbraw/zinc/16/90/39/263169039.db2.gz FYWQQXDPKZQWPP-CYBMUJFWSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@@H+](CCc1cccc(Cl)c1)Cc1ccccn1 ZINC000297871418 263211102 /nfs/dbraw/zinc/21/11/02/263211102.db2.gz PUFUNFTULFEJLW-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO N#CCC[N@H+](CCc1cccc(Cl)c1)Cc1ccccn1 ZINC000297871418 263211103 /nfs/dbraw/zinc/21/11/03/263211103.db2.gz PUFUNFTULFEJLW-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO C[C@H](CCC#N)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000298611562 263223039 /nfs/dbraw/zinc/22/30/39/263223039.db2.gz MGFIRJKTMXQFNJ-TZMCWYRMSA-N 1 2 271.389 3.514 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C(F)F)no1)Cc1ccccc1 ZINC000425490429 264355440 /nfs/dbraw/zinc/35/54/40/264355440.db2.gz YVRNAIJHHPQNHD-UHFFFAOYSA-N 1 2 293.317 3.586 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C(F)F)no1)Cc1ccccc1 ZINC000425490429 264355442 /nfs/dbraw/zinc/35/54/42/264355442.db2.gz YVRNAIJHHPQNHD-UHFFFAOYSA-N 1 2 293.317 3.586 20 30 CHEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000428389296 264364850 /nfs/dbraw/zinc/36/48/50/264364850.db2.gz QDUOXIDPJAKARX-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)cs1)C1CC1 ZINC000357551807 266318381 /nfs/dbraw/zinc/31/83/81/266318381.db2.gz LKHFPMMHVDZRDW-UHFFFAOYSA-N 1 2 250.411 3.591 20 30 CHEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)cs1)C1CC1 ZINC000357551807 266318383 /nfs/dbraw/zinc/31/83/83/266318383.db2.gz LKHFPMMHVDZRDW-UHFFFAOYSA-N 1 2 250.411 3.591 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000119189313 267306145 /nfs/dbraw/zinc/30/61/45/267306145.db2.gz FCBXJZFJCGZFHZ-UHFFFAOYSA-N 1 2 284.325 3.866 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000119189313 267306147 /nfs/dbraw/zinc/30/61/47/267306147.db2.gz FCBXJZFJCGZFHZ-UHFFFAOYSA-N 1 2 284.325 3.866 20 30 CHEDLO C=CCC[C@@H](C)[NH2+][C@@H](c1noc(C)n1)c1ccccc1F ZINC000186315406 327687403 /nfs/dbraw/zinc/68/74/03/327687403.db2.gz YYWUITXJJJROMV-IAQYHMDHSA-N 1 2 289.354 3.551 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCCO3)C1 ZINC000185888341 327849935 /nfs/dbraw/zinc/84/99/35/327849935.db2.gz QOICXPXJJXADQW-OCCSQVGLSA-N 1 2 256.349 3.506 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC000271150030 328195211 /nfs/dbraw/zinc/19/52/11/328195211.db2.gz DEKXEXMWQVYSNN-UHFFFAOYSA-N 1 2 281.403 3.997 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC000271150030 328195213 /nfs/dbraw/zinc/19/52/13/328195213.db2.gz DEKXEXMWQVYSNN-UHFFFAOYSA-N 1 2 281.403 3.997 20 30 CHEDLO Cc1ccc(C[NH2+]CCC#N)c(O[C@@H](C)CC(C)C)c1 ZINC000563882014 328545312 /nfs/dbraw/zinc/54/53/12/328545312.db2.gz VFDGRDWVPANUMF-HNNXBMFYSA-N 1 2 274.408 3.812 20 30 CHEDLO C=CCCC[C@@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000398174379 326872853 /nfs/dbraw/zinc/87/28/53/326872853.db2.gz MGDRBEJGRSLZLU-GDBMZVCRSA-N 1 2 275.392 3.625 20 30 CHEDLO COc1cc(OCc2ccc(C(C)C)[nH+]c2C)ccc1C#N ZINC000558852584 327127022 /nfs/dbraw/zinc/12/70/22/327127022.db2.gz JOFGTWHHFJQSQK-UHFFFAOYSA-N 1 2 296.370 3.973 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc(NC3CCCC3)[nH+]c2)n1 ZINC000561187339 327373334 /nfs/dbraw/zinc/37/33/34/327373334.db2.gz VZLNJNQSVIEGLS-UHFFFAOYSA-N 1 2 293.374 3.755 20 30 CHEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC(C)(C)C)c1 ZINC000562458420 327482683 /nfs/dbraw/zinc/48/26/83/327482683.db2.gz IXWWQFAVRJIKDH-OAHLLOKOSA-N 1 2 299.418 3.705 20 30 CHEDLO CCCCCCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375066553 328999698 /nfs/dbraw/zinc/99/96/98/328999698.db2.gz RWDDZXRKQDEERF-CQSZACIVSA-N 1 2 277.412 3.824 20 30 CHEDLO C=CCN(Cc1[nH+]ccn1C(C)C)Cc1ccccc1F ZINC000170958435 329071678 /nfs/dbraw/zinc/07/16/78/329071678.db2.gz LBWQNRQXHRMTRQ-UHFFFAOYSA-N 1 2 287.382 3.791 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000181333287 329231953 /nfs/dbraw/zinc/23/19/53/329231953.db2.gz FKGMECXEZLKIKG-UHFFFAOYSA-N 1 2 288.416 3.730 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000181333287 329231954 /nfs/dbraw/zinc/23/19/54/329231954.db2.gz FKGMECXEZLKIKG-UHFFFAOYSA-N 1 2 288.416 3.730 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000184097612 329256289 /nfs/dbraw/zinc/25/62/89/329256289.db2.gz VFHXAUPGFRZZLJ-GFCCVEGCSA-N 1 2 263.410 3.583 20 30 CHEDLO COc1ccc([C@H]([NH2+]CCC#N)c2ccc(C)cc2)cc1 ZINC000582959954 329289874 /nfs/dbraw/zinc/28/98/74/329289874.db2.gz VAOUBEJYSCZPRU-GOSISDBHSA-N 1 2 280.371 3.596 20 30 CHEDLO C=C(C)[C@H](Nc1cc[nH+]c(C)n1)c1ccc(F)c(F)c1 ZINC000185778415 329331638 /nfs/dbraw/zinc/33/16/38/329331638.db2.gz DRSYUUSDKZIDSY-HNNXBMFYSA-N 1 2 275.302 3.793 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1nccn1CC)c1ccc(F)c(F)c1 ZINC000187373631 329356890 /nfs/dbraw/zinc/35/68/90/329356890.db2.gz UXBQMYGZEOZYGB-INIZCTEOSA-N 1 2 291.345 3.588 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nccs1 ZINC000187487882 329358204 /nfs/dbraw/zinc/35/82/04/329358204.db2.gz PVXINNKRLVMAJG-ZDUSSCGKSA-N 1 2 291.807 3.909 20 30 CHEDLO N#CCC[N@@H+](CCc1ccccc1Cl)Cc1ccco1 ZINC000081517738 330212353 /nfs/dbraw/zinc/21/23/53/330212353.db2.gz YCQIREWZDOUWDS-UHFFFAOYSA-N 1 2 288.778 3.891 20 30 CHEDLO N#CCC[N@H+](CCc1ccccc1Cl)Cc1ccco1 ZINC000081517738 330212354 /nfs/dbraw/zinc/21/23/54/330212354.db2.gz YCQIREWZDOUWDS-UHFFFAOYSA-N 1 2 288.778 3.891 20 30 CHEDLO CC(C)c1nc(N[C@@H](CCCC#N)c2ccccc2)cc[nH+]1 ZINC000431498278 330585741 /nfs/dbraw/zinc/58/57/41/330585741.db2.gz ZGCAVRJZHPNXTP-INIZCTEOSA-N 1 2 294.402 3.869 20 30 CHEDLO CC(C)c1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000433009360 330612040 /nfs/dbraw/zinc/61/20/40/330612040.db2.gz HGDFTMIRCNZIKB-OAHLLOKOSA-N 1 2 298.390 3.718 20 30 CHEDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000444786180 330825653 /nfs/dbraw/zinc/82/56/53/330825653.db2.gz TXMXUFOEXQJUNJ-CYBMUJFWSA-N 1 2 282.309 3.882 20 30 CHEDLO C=C[C@H](CC(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452335871 331062743 /nfs/dbraw/zinc/06/27/43/331062743.db2.gz SCXRQHXKDIOTJQ-CQSZACIVSA-N 1 2 295.386 3.518 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453030660 331084281 /nfs/dbraw/zinc/08/42/81/331084281.db2.gz YKEMUEINTTVDAS-DOTOQJQBSA-N 1 2 279.387 3.657 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453030660 331084282 /nfs/dbraw/zinc/08/42/82/331084282.db2.gz YKEMUEINTTVDAS-DOTOQJQBSA-N 1 2 279.387 3.657 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1sc(C)cc1Br ZINC000453564878 331134361 /nfs/dbraw/zinc/13/43/61/331134361.db2.gz HNSRFKKVPHARNG-VIFPVBQESA-N 1 2 287.226 3.601 20 30 CHEDLO C=CCC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CCCCC1 ZINC000456417581 331192412 /nfs/dbraw/zinc/19/24/12/331192412.db2.gz KRFVGFOHXKLUFZ-KBPBESRZSA-N 1 2 287.407 3.532 20 30 CHEDLO C=C[C@H](CC(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456826020 331206103 /nfs/dbraw/zinc/20/61/03/331206103.db2.gz ACXASGDZCCYXON-MRXNPFEDSA-N 1 2 294.398 3.675 20 30 CHEDLO C=CCC1(C(=O)NCc2c[nH+]c(C)cc2C)CCCCC1 ZINC000456851521 331207562 /nfs/dbraw/zinc/20/75/62/331207562.db2.gz WPUKQFWSCJEPOK-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO N#CCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167747348 331308485 /nfs/dbraw/zinc/30/84/85/331308485.db2.gz WNMKKDKQJNOGSE-UHFFFAOYSA-N 1 2 296.214 3.727 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000489422861 332051361 /nfs/dbraw/zinc/05/13/61/332051361.db2.gz FQEKXVXPBDHFOQ-ZDUSSCGKSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000489422861 332051362 /nfs/dbraw/zinc/05/13/62/332051362.db2.gz FQEKXVXPBDHFOQ-ZDUSSCGKSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000489483117 332055518 /nfs/dbraw/zinc/05/55/18/332055518.db2.gz QKYGHAUYUUPWTA-GFCCVEGCSA-N 1 2 291.345 3.972 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000489483117 332055519 /nfs/dbraw/zinc/05/55/19/332055519.db2.gz QKYGHAUYUUPWTA-GFCCVEGCSA-N 1 2 291.345 3.972 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000489483118 332055820 /nfs/dbraw/zinc/05/58/20/332055820.db2.gz QKYGHAUYUUPWTA-LBPRGKRZSA-N 1 2 291.345 3.972 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000489483118 332055821 /nfs/dbraw/zinc/05/58/21/332055821.db2.gz QKYGHAUYUUPWTA-LBPRGKRZSA-N 1 2 291.345 3.972 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000491682143 332284982 /nfs/dbraw/zinc/28/49/82/332284982.db2.gz PVNGSOQLFYJYLQ-MRXNPFEDSA-N 1 2 298.317 3.506 20 30 CHEDLO C#C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000491689910 332287115 /nfs/dbraw/zinc/28/71/15/332287115.db2.gz KXQZZSLXQJWRJO-IUODEOHRSA-N 1 2 270.763 3.760 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1 ZINC000491729857 332312073 /nfs/dbraw/zinc/31/20/73/332312073.db2.gz OIBIBUVZNZFJRB-HNNXBMFYSA-N 1 2 293.263 3.707 20 30 CHEDLO CCCCCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000513730305 333036143 /nfs/dbraw/zinc/03/61/43/333036143.db2.gz XVZUJADTPVWGJP-HNNXBMFYSA-N 1 2 274.408 3.990 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000513730305 333036145 /nfs/dbraw/zinc/03/61/45/333036145.db2.gz XVZUJADTPVWGJP-HNNXBMFYSA-N 1 2 274.408 3.990 20 30 CHEDLO Cc1ccc2[nH+]c(CSc3cccc(C#N)c3)cn2c1 ZINC000177107016 333053745 /nfs/dbraw/zinc/05/37/45/333053745.db2.gz CLXVRSUCPHVTTO-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO CC[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](C)C#N ZINC000177690694 333061833 /nfs/dbraw/zinc/06/18/33/333061833.db2.gz HYXLYNKOKXXHIO-SNVBAGLBSA-N 1 2 299.187 3.570 20 30 CHEDLO CC[N@H+](Cc1ccc(Br)c(F)c1)C[C@H](C)C#N ZINC000177690694 333061835 /nfs/dbraw/zinc/06/18/35/333061835.db2.gz HYXLYNKOKXXHIO-SNVBAGLBSA-N 1 2 299.187 3.570 20 30 CHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)c(C)c1 ZINC000184289575 333126676 /nfs/dbraw/zinc/12/66/76/333126676.db2.gz OMCRQQSZSIOWMX-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO C[N@H+](CC#Cc1ccccc1)Cc1nc2ccccc2s1 ZINC000191915408 333227230 /nfs/dbraw/zinc/22/72/30/333227230.db2.gz NQZKQODFNKBHIC-UHFFFAOYSA-N 1 2 292.407 3.780 20 30 CHEDLO C[N@@H+](CC#Cc1ccccc1)Cc1nc2ccccc2s1 ZINC000191915408 333227233 /nfs/dbraw/zinc/22/72/33/333227233.db2.gz NQZKQODFNKBHIC-UHFFFAOYSA-N 1 2 292.407 3.780 20 30 CHEDLO CC(C)COC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccco1 ZINC000192176800 333231782 /nfs/dbraw/zinc/23/17/82/333231782.db2.gz OZIDROKFZJNSKE-GOSISDBHSA-N 1 2 297.398 3.635 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1c(F)cccc1Cl ZINC000522057133 333232458 /nfs/dbraw/zinc/23/24/58/333232458.db2.gz TYDRBAHBMYSBLS-SNVBAGLBSA-N 1 2 289.741 3.597 20 30 CHEDLO N#CCCC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000576028113 335142955 /nfs/dbraw/zinc/14/29/55/335142955.db2.gz ZHQNRLGIQGHFFQ-CQSZACIVSA-N 1 2 288.782 3.657 20 30 CHEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000576028113 335142956 /nfs/dbraw/zinc/14/29/56/335142956.db2.gz ZHQNRLGIQGHFFQ-CQSZACIVSA-N 1 2 288.782 3.657 20 30 CHEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)s1 ZINC000131623156 333957529 /nfs/dbraw/zinc/95/75/29/333957529.db2.gz BFESMFLGXDZNLG-UHFFFAOYSA-N 1 2 298.415 3.617 20 30 CHEDLO CC(C)(C)[C@H]([NH2+]CCCC(C)(C)C#N)C(F)(F)F ZINC000545922295 334006286 /nfs/dbraw/zinc/00/62/86/334006286.db2.gz HDGOFPABWGBTMC-JTQLQIEISA-N 1 2 264.335 3.883 20 30 CHEDLO COc1ccc2c(c1)[nH+]ccc2OCCCC(C)(C)C#N ZINC000135506273 334132107 /nfs/dbraw/zinc/13/21/07/334132107.db2.gz ZBIHGDYKXFSGSX-UHFFFAOYSA-N 1 2 284.359 3.952 20 30 CHEDLO N#Cc1cc(Cl)ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000549462971 334194501 /nfs/dbraw/zinc/19/45/01/334194501.db2.gz KCPOEYAOUUNGOI-UHFFFAOYSA-N 1 2 296.761 3.743 20 30 CHEDLO C[N@H+](Cc1ccc(C(F)(F)F)s1)CC(C)(C)C#N ZINC000552316788 334316133 /nfs/dbraw/zinc/31/61/33/334316133.db2.gz LYBRNPAHDAHRPS-UHFFFAOYSA-N 1 2 276.327 3.748 20 30 CHEDLO C[N@@H+](Cc1ccc(C(F)(F)F)s1)CC(C)(C)C#N ZINC000552316788 334316135 /nfs/dbraw/zinc/31/61/35/334316135.db2.gz LYBRNPAHDAHRPS-UHFFFAOYSA-N 1 2 276.327 3.748 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(C#N)cc1F ZINC000554817224 334454127 /nfs/dbraw/zinc/45/41/27/334454127.db2.gz MJURTYGPYYXIIF-ZJUUUORDSA-N 1 2 275.352 3.566 20 30 CHEDLO COc1cc(C#N)ccc1CSc1[nH+]cc2ccccn21 ZINC000154738810 334703992 /nfs/dbraw/zinc/70/39/92/334703992.db2.gz HJDUWDJQTUVEFS-UHFFFAOYSA-N 1 2 295.367 3.507 20 30 CHEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000383626021 336115991 /nfs/dbraw/zinc/11/59/91/336115991.db2.gz AJKFSLGOCRCPNO-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000383626021 336115992 /nfs/dbraw/zinc/11/59/92/336115992.db2.gz AJKFSLGOCRCPNO-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Br)[N@H+](C)CC1(C#N)CC1 ZINC000347456397 534125347 /nfs/dbraw/zinc/12/53/47/534125347.db2.gz FHMPERFJJHZHSM-NSHDSACASA-N 1 2 293.208 3.746 20 30 CHEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)CC1(C#N)CC1 ZINC000347456397 534125358 /nfs/dbraw/zinc/12/53/58/534125358.db2.gz FHMPERFJJHZHSM-NSHDSACASA-N 1 2 293.208 3.746 20 30 CHEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329261132 534385770 /nfs/dbraw/zinc/38/57/70/534385770.db2.gz ZBRITCDHEKBSSZ-LSDHHAIUSA-N 1 2 287.407 3.993 20 30 CHEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000281089788 523552629 /nfs/dbraw/zinc/55/26/29/523552629.db2.gz KBIKSHMDELPWLD-KRWDZBQOSA-N 1 2 294.402 3.502 20 30 CHEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000281089788 523552643 /nfs/dbraw/zinc/55/26/43/523552643.db2.gz KBIKSHMDELPWLD-KRWDZBQOSA-N 1 2 294.402 3.502 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125668977 526042916 /nfs/dbraw/zinc/04/29/16/526042916.db2.gz IHMDXJHFAMVCRX-DYVFJYSZSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125668977 526042925 /nfs/dbraw/zinc/04/29/25/526042925.db2.gz IHMDXJHFAMVCRX-DYVFJYSZSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@H](c1ccco1)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000086234288 526146878 /nfs/dbraw/zinc/14/68/78/526146878.db2.gz ZFDSTMLKTVNXFR-CYBMUJFWSA-N 1 2 266.344 3.877 20 30 CHEDLO C[C@H](c1ccco1)[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000086234288 526146888 /nfs/dbraw/zinc/14/68/88/526146888.db2.gz ZFDSTMLKTVNXFR-CYBMUJFWSA-N 1 2 266.344 3.877 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(CCC)n1 ZINC000352721465 526327824 /nfs/dbraw/zinc/32/78/24/526327824.db2.gz SDTXNRIUUBEYTR-UHFFFAOYSA-N 1 2 290.432 3.919 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(CCC)n1 ZINC000352721465 526327828 /nfs/dbraw/zinc/32/78/28/526327828.db2.gz SDTXNRIUUBEYTR-UHFFFAOYSA-N 1 2 290.432 3.919 20 30 CHEDLO C=CCCC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000354597471 527096863 /nfs/dbraw/zinc/09/68/63/527096863.db2.gz OWHSYUHUZPFMJZ-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO C=CCCOCCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000344440673 527336339 /nfs/dbraw/zinc/33/63/39/527336339.db2.gz VVTLKEMKYOEGDZ-UHFFFAOYSA-N 1 2 290.407 3.708 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(CSC)s1 ZINC000353231276 527456979 /nfs/dbraw/zinc/45/69/79/527456979.db2.gz IMVMUQKIMXEBID-LLVKDONJSA-N 1 2 268.451 3.547 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(CSC)s1 ZINC000353231276 527456986 /nfs/dbraw/zinc/45/69/86/527456986.db2.gz IMVMUQKIMXEBID-LLVKDONJSA-N 1 2 268.451 3.547 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccc(C)cn12 ZINC000353416762 528750060 /nfs/dbraw/zinc/75/00/60/528750060.db2.gz QAQXXKWSTRJGRB-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccc(C)cn12 ZINC000353416762 528750066 /nfs/dbraw/zinc/75/00/66/528750066.db2.gz QAQXXKWSTRJGRB-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)CN(CCC#N)Cc1c[nH+]c2ccc(C)cn12 ZINC000353416762 528750074 /nfs/dbraw/zinc/75/00/74/528750074.db2.gz QAQXXKWSTRJGRB-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710566 1117900598 /nfs/dbraw/zinc/90/05/98/1117900598.db2.gz VDFSQMQCSJMBMN-JTQLQIEISA-N 1 2 263.772 3.785 20 30 CHEDLO CCOc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000048056292 1125480729 /nfs/dbraw/zinc/48/07/29/1125480729.db2.gz XGAVTNFFVIYVEF-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000048056292 1125480726 /nfs/dbraw/zinc/48/07/26/1125480726.db2.gz XGAVTNFFVIYVEF-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000509149493 1120674848 /nfs/dbraw/zinc/67/48/48/1120674848.db2.gz DHESGNNKKPWWBF-HNNXBMFYSA-N 1 2 283.774 3.819 20 30 CHEDLO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000509149493 1120674850 /nfs/dbraw/zinc/67/48/50/1120674850.db2.gz DHESGNNKKPWWBF-HNNXBMFYSA-N 1 2 283.774 3.819 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC2(C)CCCC2)c1O ZINC000731155554 1121849783 /nfs/dbraw/zinc/84/97/83/1121849783.db2.gz KKZYEPPVNLUHAZ-GZTJUZNOSA-N 1 2 261.365 3.790 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437584769 1122643533 /nfs/dbraw/zinc/64/35/33/1122643533.db2.gz YAPNKMWFOGCXRM-SECBINFHSA-N 1 2 290.716 3.950 20 30 CHEDLO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000450683414 1125085057 /nfs/dbraw/zinc/08/50/57/1125085057.db2.gz SGVRPDLXSJUKSK-AWEZNQCLSA-N 1 2 264.319 3.699 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1Cc2cncnc2C1 ZINC001209443083 1134022691 /nfs/dbraw/zinc/02/26/91/1134022691.db2.gz LHABOUHZNJOJSP-UHFFFAOYSA-N 1 2 259.397 3.709 20 30 CHEDLO C=CCCCCCCCC[N@H+]1Cc2cncnc2C1 ZINC001209443083 1134022696 /nfs/dbraw/zinc/02/26/96/1134022696.db2.gz LHABOUHZNJOJSP-UHFFFAOYSA-N 1 2 259.397 3.709 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238691433 1131231867 /nfs/dbraw/zinc/23/18/67/1131231867.db2.gz WBVLVAKUUOMHAQ-UHFFFAOYSA-N 1 2 285.778 3.747 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238691433 1131231871 /nfs/dbraw/zinc/23/18/71/1131231871.db2.gz WBVLVAKUUOMHAQ-UHFFFAOYSA-N 1 2 285.778 3.747 20 30 CHEDLO CCC[C@H](Cc1ccccc1)[NH2+][C@@](C)(C#N)C(C)C ZINC001258651509 1129467911 /nfs/dbraw/zinc/46/79/11/1129467911.db2.gz QQBOITSNMCJFKU-SJORKVTESA-N 1 2 258.409 3.926 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177202422 1126798798 /nfs/dbraw/zinc/79/87/98/1126798798.db2.gz RMGRNZQGPDRSCN-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177202422 1126798799 /nfs/dbraw/zinc/79/87/99/1126798799.db2.gz RMGRNZQGPDRSCN-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)cc3Cl)ccc21 ZINC001213997642 1126873178 /nfs/dbraw/zinc/87/31/78/1126873178.db2.gz GDZVETJCNCMORD-UHFFFAOYSA-N 1 2 282.734 3.842 20 30 CHEDLO CCSCc1cc[nH+]c(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185873032 1126903726 /nfs/dbraw/zinc/90/37/26/1126903726.db2.gz PAVLMTDLEWJWJJ-TZMCWYRMSA-N 1 2 275.421 3.829 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(F)c(F)c1 ZINC000186455434 1126906747 /nfs/dbraw/zinc/90/67/47/1126906747.db2.gz ROBHZRRAHWHAOB-MEDUHNTESA-N 1 2 289.329 3.723 20 30 CHEDLO N#Cc1cc(-c2c[nH+]c3n2CCCC3)ccc1C1CC1 ZINC000906199628 1126937278 /nfs/dbraw/zinc/93/72/78/1126937278.db2.gz QGMJYGJONQNGSR-UHFFFAOYSA-N 1 2 263.344 3.635 20 30 CHEDLO C#CC[N@@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000192238753 1126959467 /nfs/dbraw/zinc/95/94/67/1126959467.db2.gz DEUYCUYRPWDHOS-GFCCVEGCSA-N 1 2 288.778 3.929 20 30 CHEDLO C#CC[N@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000192238753 1126959470 /nfs/dbraw/zinc/95/94/70/1126959470.db2.gz DEUYCUYRPWDHOS-GFCCVEGCSA-N 1 2 288.778 3.929 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)ccc1C#N ZINC000488189436 1127061144 /nfs/dbraw/zinc/06/11/44/1127061144.db2.gz ZOJODSGVFSNNJN-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3ccc(F)c(F)c3C2)ccc1C#N ZINC000488189436 1127061146 /nfs/dbraw/zinc/06/11/46/1127061146.db2.gz ZOJODSGVFSNNJN-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCc3ccccc32)c1 ZINC000912962646 1127117641 /nfs/dbraw/zinc/11/76/41/1127117641.db2.gz XGAKDOHUZSLYFX-NPRIEWAGSA-N 1 2 295.382 3.940 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4ccc(F)cc4C3=O)n2c1 ZINC000151439312 1127135534 /nfs/dbraw/zinc/13/55/34/1127135534.db2.gz BFUFFFSLWCUKGW-QPEQYQDCSA-N 1 2 292.313 3.604 20 30 CHEDLO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000349758635 1127159327 /nfs/dbraw/zinc/15/93/27/1127159327.db2.gz NJHUPLKZZNTXHW-JKSUJKDBSA-N 1 2 282.391 3.506 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000780385129 1131152415 /nfs/dbraw/zinc/15/24/15/1131152415.db2.gz MCQLKYBPISNSIO-DTWKUNHWSA-N 1 2 286.135 3.558 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000780385129 1131152419 /nfs/dbraw/zinc/15/24/19/1131152419.db2.gz MCQLKYBPISNSIO-DTWKUNHWSA-N 1 2 286.135 3.558 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166116 1127250093 /nfs/dbraw/zinc/25/00/93/1127250093.db2.gz PWUQHWWSYCTKBL-YPMHNXCESA-N 1 2 299.805 3.872 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166116 1127250095 /nfs/dbraw/zinc/25/00/95/1127250095.db2.gz PWUQHWWSYCTKBL-YPMHNXCESA-N 1 2 299.805 3.872 20 30 CHEDLO CCOC(=[NH2+])CCCCO[C@@H](C)CC(C)(C)S ZINC001224965011 1127256150 /nfs/dbraw/zinc/25/61/50/1127256150.db2.gz FVAHWYSSNRIQSN-NSHDSACASA-N 1 2 261.431 3.674 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000354032913 1127287205 /nfs/dbraw/zinc/28/72/05/1127287205.db2.gz GDLUQKPYODYQMB-JTQLQIEISA-N 1 2 266.747 3.603 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000354032913 1127287207 /nfs/dbraw/zinc/28/72/07/1127287207.db2.gz GDLUQKPYODYQMB-JTQLQIEISA-N 1 2 266.747 3.603 20 30 CHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000045796714 1127297745 /nfs/dbraw/zinc/29/77/45/1127297745.db2.gz WOBGZLLTZCUXTI-UHFFFAOYSA-N 1 2 294.398 3.622 20 30 CHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000045796714 1127297747 /nfs/dbraw/zinc/29/77/47/1127297747.db2.gz WOBGZLLTZCUXTI-UHFFFAOYSA-N 1 2 294.398 3.622 20 30 CHEDLO C=CC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1 ZINC000045840772 1127307251 /nfs/dbraw/zinc/30/72/51/1127307251.db2.gz URTNVCAHQFHXHF-UHFFFAOYSA-N 1 2 295.342 3.518 20 30 CHEDLO C=CC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1 ZINC000045840772 1127307254 /nfs/dbraw/zinc/30/72/54/1127307254.db2.gz URTNVCAHQFHXHF-UHFFFAOYSA-N 1 2 295.342 3.518 20 30 CHEDLO CC(C)c1ccc(C[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592058801 1127315009 /nfs/dbraw/zinc/31/50/09/1127315009.db2.gz OKHFZDOOWQPJKF-UHFFFAOYSA-N 1 2 279.387 3.709 20 30 CHEDLO CC(C)c1ccc(C[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592058801 1127315014 /nfs/dbraw/zinc/31/50/14/1127315014.db2.gz OKHFZDOOWQPJKF-UHFFFAOYSA-N 1 2 279.387 3.709 20 30 CHEDLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccncc1C#N ZINC000592066140 1127334066 /nfs/dbraw/zinc/33/40/66/1127334066.db2.gz FWSSBVGKFKZZID-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccncc1C#N ZINC000592066140 1127334069 /nfs/dbraw/zinc/33/40/69/1127334069.db2.gz FWSSBVGKFKZZID-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCC[C@H]2CCCCO2)c(O)c1 ZINC000761016175 1127382334 /nfs/dbraw/zinc/38/23/34/1127382334.db2.gz VGKDBJLDSUYLNP-COYFKBPASA-N 1 2 291.391 3.559 20 30 CHEDLO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000594525615 1127421970 /nfs/dbraw/zinc/42/19/70/1127421970.db2.gz WYEPZEMXYXHMGT-UHFFFAOYSA-N 1 2 266.335 3.621 20 30 CHEDLO N#CC1(C[NH2+]Cc2cccc(O)c2Cl)CCCCC1 ZINC000594981201 1127443114 /nfs/dbraw/zinc/44/31/14/1127443114.db2.gz KKBISLGOAOCDNS-UHFFFAOYSA-N 1 2 278.783 3.609 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000594993730 1127444444 /nfs/dbraw/zinc/44/44/44/1127444444.db2.gz GFGFTPXQCMUVGV-HIFRSBDPSA-N 1 2 272.392 3.967 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C#N)cc1F ZINC000595090210 1127454241 /nfs/dbraw/zinc/45/42/41/1127454241.db2.gz FWMOTWCGQAIRDW-CYBMUJFWSA-N 1 2 285.366 3.822 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccncc1Cl ZINC000595092162 1127454604 /nfs/dbraw/zinc/45/46/04/1127454604.db2.gz YCGANKDBZMHTFS-LBPRGKRZSA-N 1 2 277.799 3.860 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000595096105 1127455312 /nfs/dbraw/zinc/45/53/12/1127455312.db2.gz VMKDHVNHBGFIRG-RISCZKNCSA-N 1 2 282.309 3.589 20 30 CHEDLO CC(C)CCc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595613358 1127470291 /nfs/dbraw/zinc/47/02/91/1127470291.db2.gz BVYPEICBPGBRSA-AWEZNQCLSA-N 1 2 291.464 3.857 20 30 CHEDLO CC(C)CCc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595613358 1127470292 /nfs/dbraw/zinc/47/02/92/1127470292.db2.gz BVYPEICBPGBRSA-AWEZNQCLSA-N 1 2 291.464 3.857 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595759858 1127474167 /nfs/dbraw/zinc/47/41/67/1127474167.db2.gz PAQGFLKABVOPJI-MRXNPFEDSA-N 1 2 290.382 3.529 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595759858 1127474168 /nfs/dbraw/zinc/47/41/68/1127474168.db2.gz PAQGFLKABVOPJI-MRXNPFEDSA-N 1 2 290.382 3.529 20 30 CHEDLO COc1ccccc1CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126502 1127479913 /nfs/dbraw/zinc/47/99/13/1127479913.db2.gz KJEAWIPILZSULB-UHFFFAOYSA-N 1 2 292.382 3.515 20 30 CHEDLO COc1ccccc1CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126502 1127479914 /nfs/dbraw/zinc/47/99/14/1127479914.db2.gz KJEAWIPILZSULB-UHFFFAOYSA-N 1 2 292.382 3.515 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000595838879 1127477497 /nfs/dbraw/zinc/47/74/97/1127477497.db2.gz XYBVYNBGCHHRMH-CQSZACIVSA-N 1 2 299.201 3.608 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000595838879 1127477498 /nfs/dbraw/zinc/47/74/98/1127477498.db2.gz XYBVYNBGCHHRMH-CQSZACIVSA-N 1 2 299.201 3.608 20 30 CHEDLO COc1cc(C)[nH+]c(CSCCc2ccc(C#N)cc2)c1 ZINC000596353700 1127496987 /nfs/dbraw/zinc/49/69/87/1127496987.db2.gz ZJGWBZJAWPAFBP-UHFFFAOYSA-N 1 2 298.411 3.746 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1conc1C)c1ccc(F)c(F)c1 ZINC000293306256 1127499093 /nfs/dbraw/zinc/49/90/93/1127499093.db2.gz PXBYUODSPIAVMH-HNNXBMFYSA-N 1 2 278.302 3.668 20 30 CHEDLO CCc1cccc2cc(C[N@H+](C)[C@@H](C)CC#N)oc21 ZINC000596994484 1127524114 /nfs/dbraw/zinc/52/41/14/1127524114.db2.gz ATKRLEOJZDHNHX-LBPRGKRZSA-N 1 2 256.349 3.729 20 30 CHEDLO CCc1cccc2cc(C[N@@H+](C)[C@@H](C)CC#N)oc21 ZINC000596994484 1127524115 /nfs/dbraw/zinc/52/41/15/1127524115.db2.gz ATKRLEOJZDHNHX-LBPRGKRZSA-N 1 2 256.349 3.729 20 30 CHEDLO N#CC1CCC(Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000602494250 1127586615 /nfs/dbraw/zinc/58/66/15/1127586615.db2.gz RYHLNEAEFZCJOU-UHFFFAOYSA-N 1 2 284.338 3.506 20 30 CHEDLO Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)on2)cc1 ZINC000602975510 1127624915 /nfs/dbraw/zinc/62/49/15/1127624915.db2.gz BYVGMCOLXCRCRG-YJBOKZPZSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)on2)cc1 ZINC000602975510 1127624916 /nfs/dbraw/zinc/62/49/16/1127624916.db2.gz BYVGMCOLXCRCRG-YJBOKZPZSA-N 1 2 295.386 3.774 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168414303 1127647163 /nfs/dbraw/zinc/64/71/63/1127647163.db2.gz DOULONDXDMHWHD-MRXNPFEDSA-N 1 2 273.326 3.970 20 30 CHEDLO COCc1cc[nH+]c(N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000593724698 1127667095 /nfs/dbraw/zinc/66/70/95/1127667095.db2.gz GYNZKJCZVQEMRY-QGZVFWFLSA-N 1 2 293.370 3.589 20 30 CHEDLO C=CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000605150368 1127731181 /nfs/dbraw/zinc/73/11/81/1127731181.db2.gz OMEZSBOIPABARN-OAHLLOKOSA-N 1 2 283.774 3.819 20 30 CHEDLO C=CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000605150368 1127731182 /nfs/dbraw/zinc/73/11/82/1127731182.db2.gz OMEZSBOIPABARN-OAHLLOKOSA-N 1 2 283.774 3.819 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H](c2ccccc2)O1 ZINC000063581371 1127848767 /nfs/dbraw/zinc/84/87/67/1127848767.db2.gz QQOBHXPKMRUZKM-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H](c2ccccc2)O1 ZINC000063581371 1127848770 /nfs/dbraw/zinc/84/87/70/1127848770.db2.gz QQOBHXPKMRUZKM-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1csnn1 ZINC000411263516 1127850888 /nfs/dbraw/zinc/85/08/88/1127850888.db2.gz SVBBWFPQGPQMDB-GFCCVEGCSA-N 1 2 265.426 3.667 20 30 CHEDLO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1csnn1 ZINC000411263516 1127850890 /nfs/dbraw/zinc/85/08/90/1127850890.db2.gz SVBBWFPQGPQMDB-GFCCVEGCSA-N 1 2 265.426 3.667 20 30 CHEDLO C[C@@H]([NH2+]CCC#N)c1ccccc1OCc1ccccc1 ZINC000411451699 1127860969 /nfs/dbraw/zinc/86/09/69/1127860969.db2.gz ICMMQFOXVYCIME-OAHLLOKOSA-N 1 2 280.371 3.830 20 30 CHEDLO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(F)cc1Br ZINC000411629025 1127868343 /nfs/dbraw/zinc/86/83/43/1127868343.db2.gz ZPEGWIFWWLTIPN-JTQLQIEISA-N 1 2 299.187 3.712 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000411629025 1127868347 /nfs/dbraw/zinc/86/83/47/1127868347.db2.gz ZPEGWIFWWLTIPN-JTQLQIEISA-N 1 2 299.187 3.712 20 30 CHEDLO CC[N@H+](Cc1occc1C)Cc1cccc(F)c1C#N ZINC000412030978 1127892216 /nfs/dbraw/zinc/89/22/16/1127892216.db2.gz XCUNRPJMIBGMIC-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO CC[N@@H+](Cc1occc1C)Cc1cccc(F)c1C#N ZINC000412030978 1127892221 /nfs/dbraw/zinc/89/22/21/1127892221.db2.gz XCUNRPJMIBGMIC-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO CC(C)(C)c1ncc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000545220931 1128006380 /nfs/dbraw/zinc/00/63/80/1128006380.db2.gz BJWHICVZDWISQQ-UHFFFAOYSA-N 1 2 286.404 3.514 20 30 CHEDLO C=CC[N@@H+](C)Cn1ccn(-c2ccc(C)c(C)c2)c1=S ZINC000777543966 1128119319 /nfs/dbraw/zinc/11/93/19/1128119319.db2.gz IVKXGQBMZMIMIF-UHFFFAOYSA-N 1 2 287.432 3.700 20 30 CHEDLO C=CC[N@H+](C)Cn1ccn(-c2ccc(C)c(C)c2)c1=S ZINC000777543966 1128119320 /nfs/dbraw/zinc/11/93/20/1128119320.db2.gz IVKXGQBMZMIMIF-UHFFFAOYSA-N 1 2 287.432 3.700 20 30 CHEDLO C[C@@H](Cc1cccc(F)c1)[N@H+](CCC#N)Cc1cccnc1 ZINC001168477977 1128234891 /nfs/dbraw/zinc/23/48/91/1128234891.db2.gz DRZRDEVJVJBIOP-HNNXBMFYSA-N 1 2 297.377 3.568 20 30 CHEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001168477977 1128234893 /nfs/dbraw/zinc/23/48/93/1128234893.db2.gz DRZRDEVJVJBIOP-HNNXBMFYSA-N 1 2 297.377 3.568 20 30 CHEDLO CC(C)Oc1ccc(CC/[NH+]=C/c2ccccc2O)cc1 ZINC000915113572 1128284650 /nfs/dbraw/zinc/28/46/50/1128284650.db2.gz ZAFOBCBLIJBDQT-CPNJWEJPSA-N 1 2 283.371 3.841 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1nc(C(C)C)ns1)c1ccccc1 ZINC000930221472 1128308627 /nfs/dbraw/zinc/30/86/27/1128308627.db2.gz UMRVGACVVBADPC-AWEZNQCLSA-N 1 2 285.416 3.516 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000487975202 1128314058 /nfs/dbraw/zinc/31/40/58/1128314058.db2.gz NCBMIGWAQPZUHP-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000487975202 1128314063 /nfs/dbraw/zinc/31/40/63/1128314063.db2.gz NCBMIGWAQPZUHP-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000930964045 1128342045 /nfs/dbraw/zinc/34/20/45/1128342045.db2.gz AFRBUMGSMOROLU-QGZVFWFLSA-N 1 2 293.370 3.664 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000930964045 1128342050 /nfs/dbraw/zinc/34/20/50/1128342050.db2.gz AFRBUMGSMOROLU-QGZVFWFLSA-N 1 2 293.370 3.664 20 30 CHEDLO CC(C)C[N@H+](Cc1ccccn1)Cc1cc(F)ccc1C#N ZINC000932446490 1128410116 /nfs/dbraw/zinc/41/01/16/1128410116.db2.gz QVRBEPQCKDNMNL-UHFFFAOYSA-N 1 2 297.377 3.751 20 30 CHEDLO CC(C)C[N@@H+](Cc1ccccn1)Cc1cc(F)ccc1C#N ZINC000932446490 1128410119 /nfs/dbraw/zinc/41/01/19/1128410119.db2.gz QVRBEPQCKDNMNL-UHFFFAOYSA-N 1 2 297.377 3.751 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1c(Cl)cncc1Cl ZINC000934460806 1128461212 /nfs/dbraw/zinc/46/12/12/1128461212.db2.gz RPUKQJYBWQUDAE-VIFPVBQESA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1c(Cl)cncc1Cl ZINC000934460806 1128461214 /nfs/dbraw/zinc/46/12/14/1128461214.db2.gz RPUKQJYBWQUDAE-VIFPVBQESA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000934463402 1128461251 /nfs/dbraw/zinc/46/12/51/1128461251.db2.gz IMRKFOSOFWIJRC-JTQLQIEISA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000934463402 1128461254 /nfs/dbraw/zinc/46/12/54/1128461254.db2.gz IMRKFOSOFWIJRC-JTQLQIEISA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461358 1128461339 /nfs/dbraw/zinc/46/13/39/1128461339.db2.gz MTZAWVAXSCFTID-STQMWFEESA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461358 1128461340 /nfs/dbraw/zinc/46/13/40/1128461340.db2.gz MTZAWVAXSCFTID-STQMWFEESA-N 1 2 292.810 3.626 20 30 CHEDLO N#CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000917361093 1128496259 /nfs/dbraw/zinc/49/62/59/1128496259.db2.gz OLGQYRRHWDQWQQ-UHFFFAOYSA-N 1 2 260.724 3.603 20 30 CHEDLO CC[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C[C@@H](C)C#N ZINC000064248818 1128557052 /nfs/dbraw/zinc/55/70/52/1128557052.db2.gz IIWKXXGDDQXMMZ-LBPRGKRZSA-N 1 2 286.419 3.796 20 30 CHEDLO CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C[C@@H](C)C#N ZINC000064248818 1128557053 /nfs/dbraw/zinc/55/70/53/1128557053.db2.gz IIWKXXGDDQXMMZ-LBPRGKRZSA-N 1 2 286.419 3.796 20 30 CHEDLO N#C[C@H]1CC=C(Nc2ccc[nH+]c2N2CCCCC2)CC1 ZINC001212854816 1128600038 /nfs/dbraw/zinc/60/00/38/1128600038.db2.gz MSODSFKAZMYUIN-AWEZNQCLSA-N 1 2 282.391 3.691 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCC[C@@H](C)C2)c1O ZINC000920175539 1128670940 /nfs/dbraw/zinc/67/09/40/1128670940.db2.gz WYAUSKUTGGAMAJ-MDDWGPDPSA-N 1 2 261.365 3.646 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212249771 1128685978 /nfs/dbraw/zinc/68/59/78/1128685978.db2.gz MIEULLNKZFSNIK-UHFFFAOYSA-N 1 2 279.343 3.779 20 30 CHEDLO C=C(C)CN(CC)c1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001167050839 1117787780 /nfs/dbraw/zinc/78/77/80/1117787780.db2.gz JOUHADDAVQTAKL-UHFFFAOYSA-N 1 2 286.375 3.654 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1C ZINC000901418124 1128737914 /nfs/dbraw/zinc/73/79/14/1128737914.db2.gz YKWDAFPRUAXHPV-FPLPWBNLSA-N 1 2 268.360 3.977 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2[nH]c(C)c(C)[nH+]2)c(C)s1 ZINC000901431316 1128745112 /nfs/dbraw/zinc/74/51/12/1128745112.db2.gz SGBVPHGQPCQZBV-WAYWQWQTSA-N 1 2 260.362 3.601 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000254967439 1117921835 /nfs/dbraw/zinc/92/18/35/1117921835.db2.gz QQMJRMZVXDGPMW-KTKRTIGZSA-N 1 2 262.312 3.539 20 30 CHEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cc1Cl ZINC001209668000 1118086087 /nfs/dbraw/zinc/08/60/87/1118086087.db2.gz RSSGEOYDJRXGJZ-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cc1Cl ZINC001209668000 1118086093 /nfs/dbraw/zinc/08/60/93/1118086093.db2.gz RSSGEOYDJRXGJZ-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO CCN(CC)c1ccc(C=[NH+]OCC(F)(F)F)cc1F ZINC000764835565 1118120616 /nfs/dbraw/zinc/12/06/16/1118120616.db2.gz LLJVIACLOAUISZ-UHFFFAOYSA-N 1 2 292.276 3.585 20 30 CHEDLO Cc1[nH+]cc(Nc2c(Cl)cc(C#N)cc2Cl)cc1N ZINC001210288040 1118235028 /nfs/dbraw/zinc/23/50/28/1118235028.db2.gz IEHOILIAXOFDII-UHFFFAOYSA-N 1 2 293.157 3.894 20 30 CHEDLO CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(C#N)cc1 ZINC000579448294 1118375089 /nfs/dbraw/zinc/37/50/89/1118375089.db2.gz GOJHEUKCGJWTOT-AWEZNQCLSA-N 1 2 298.415 3.528 20 30 CHEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000683801148 1118377865 /nfs/dbraw/zinc/37/78/65/1118377865.db2.gz BTAXQFQYIDSNKX-RKDXNWHRSA-N 1 2 276.327 3.614 20 30 CHEDLO C#CCC1(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001670648593 1118449700 /nfs/dbraw/zinc/44/97/00/1118449700.db2.gz LVVLGOBOMYYYIG-UHFFFAOYSA-N 1 2 299.418 3.855 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccncc1 ZINC000334483624 1118554012 /nfs/dbraw/zinc/55/40/12/1118554012.db2.gz YNFSRZYXZUXAFR-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccncc1 ZINC000334483624 1118554014 /nfs/dbraw/zinc/55/40/14/1118554014.db2.gz YNFSRZYXZUXAFR-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1ccc(F)cn1 ZINC001167475922 1118645618 /nfs/dbraw/zinc/64/56/18/1118645618.db2.gz KFLWHAXBCYLDRU-LBPRGKRZSA-N 1 2 271.339 3.826 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1cc(C#N)cs1 ZINC000093685848 1118679104 /nfs/dbraw/zinc/67/91/04/1118679104.db2.gz MNPOQRZYFTXUIX-UHFFFAOYSA-N 1 2 271.389 3.606 20 30 CHEDLO CC[N@@H+](Cc1ccc(C(F)F)c(F)c1)C[C@H](C)C#N ZINC000891716324 1118749831 /nfs/dbraw/zinc/74/98/31/1118749831.db2.gz OGGXPLWBPALTRY-SNVBAGLBSA-N 1 2 270.298 3.745 20 30 CHEDLO CC[N@H+](Cc1ccc(C(F)F)c(F)c1)C[C@H](C)C#N ZINC000891716324 1118749833 /nfs/dbraw/zinc/74/98/33/1118749833.db2.gz OGGXPLWBPALTRY-SNVBAGLBSA-N 1 2 270.298 3.745 20 30 CHEDLO Cc1cn2c(cccc2Nc2cccc(Cl)c2C#N)[nH+]1 ZINC001216123796 1118803561 /nfs/dbraw/zinc/80/35/61/1118803561.db2.gz CUIVCHJAUYTSLB-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](CCC#N)CC2CC2)c1 ZINC000093091569 1118857304 /nfs/dbraw/zinc/85/73/04/1118857304.db2.gz TZYQFLYJNVEHJY-UHFFFAOYSA-N 1 2 294.345 3.722 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000093091569 1118857312 /nfs/dbraw/zinc/85/73/12/1118857312.db2.gz TZYQFLYJNVEHJY-UHFFFAOYSA-N 1 2 294.345 3.722 20 30 CHEDLO N#Cc1ccsc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085695 1119223996 /nfs/dbraw/zinc/22/39/96/1119223996.db2.gz RXLHMPAMHSIXHL-UHFFFAOYSA-N 1 2 266.329 3.753 20 30 CHEDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(C#N)ccc1Cl ZINC001140599974 1119233339 /nfs/dbraw/zinc/23/33/39/1119233339.db2.gz YLGBDTFOBODJBP-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(C#N)ccc1Cl ZINC001140599974 1119233343 /nfs/dbraw/zinc/23/33/43/1119233343.db2.gz YLGBDTFOBODJBP-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO CCCc1cc(NCc2ccccc2C#N)nc(CCC)[nH+]1 ZINC001167634588 1119250374 /nfs/dbraw/zinc/25/03/74/1119250374.db2.gz HNILHTNSPRHPGM-UHFFFAOYSA-N 1 2 294.402 3.865 20 30 CHEDLO Cc1cc(NCc2ccccc2C#N)[nH+]cc1C(F)(F)F ZINC001167634783 1119251270 /nfs/dbraw/zinc/25/12/70/1119251270.db2.gz ZAWXCZGAVRRNJR-UHFFFAOYSA-N 1 2 291.276 3.893 20 30 CHEDLO CCc1nc(C[NH2+][C@@H](CCC#N)c2ccccc2)cs1 ZINC000130436258 1119412713 /nfs/dbraw/zinc/41/27/13/1119412713.db2.gz VLAPJKKKNBNMEX-HNNXBMFYSA-N 1 2 285.416 3.840 20 30 CHEDLO C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000343525287 1119441637 /nfs/dbraw/zinc/44/16/37/1119441637.db2.gz OOTZUZOLOMXGTF-HNNXBMFYSA-N 1 2 297.402 3.655 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000132274122 1119445291 /nfs/dbraw/zinc/44/52/91/1119445291.db2.gz BLAHZXNUKLEXNC-GFCCVEGCSA-N 1 2 299.330 3.589 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000132274122 1119445292 /nfs/dbraw/zinc/44/52/92/1119445292.db2.gz BLAHZXNUKLEXNC-GFCCVEGCSA-N 1 2 299.330 3.589 20 30 CHEDLO N#CC1(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000343578999 1119460185 /nfs/dbraw/zinc/46/01/85/1119460185.db2.gz GCDLORSJSRNQPQ-GFCCVEGCSA-N 1 2 286.272 3.713 20 30 CHEDLO N#Cc1ccc(CCNc2cc3cc(F)ccc3c[nH+]2)cc1 ZINC001167676785 1119588826 /nfs/dbraw/zinc/58/88/26/1119588826.db2.gz IOGSEKMQIILUOR-UHFFFAOYSA-N 1 2 291.329 3.900 20 30 CHEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CCC1(F)F ZINC000685590981 1119635921 /nfs/dbraw/zinc/63/59/21/1119635921.db2.gz JTEMEPZVUCPLCI-LBPRGKRZSA-N 1 2 283.749 3.669 20 30 CHEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCC1(F)F ZINC000685590981 1119635922 /nfs/dbraw/zinc/63/59/22/1119635922.db2.gz JTEMEPZVUCPLCI-LBPRGKRZSA-N 1 2 283.749 3.669 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1c[nH]c2ccccc21 ZINC000255834630 1119750873 /nfs/dbraw/zinc/75/08/73/1119750873.db2.gz RECPTPJMHSKNQZ-HJWRWDBZSA-N 1 2 287.322 3.712 20 30 CHEDLO CC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000926717166 1119848010 /nfs/dbraw/zinc/84/80/10/1119848010.db2.gz CVAPIMRONDXQPN-OLZOCXBDSA-N 1 2 294.345 3.596 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccnc1Cl ZINC000177857694 1119873994 /nfs/dbraw/zinc/87/39/94/1119873994.db2.gz HHMQWJZOPZQGIO-JTQLQIEISA-N 1 2 289.741 3.597 20 30 CHEDLO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000613540390 1120020608 /nfs/dbraw/zinc/02/06/08/1120020608.db2.gz UHVAZCDZFMBRBL-HNNXBMFYSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000613540390 1120020612 /nfs/dbraw/zinc/02/06/12/1120020612.db2.gz UHVAZCDZFMBRBL-HNNXBMFYSA-N 1 2 262.784 3.774 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1Cl ZINC000122217409 1120061526 /nfs/dbraw/zinc/06/15/26/1120061526.db2.gz LBWZGENRHNMWGE-SECBINFHSA-N 1 2 254.736 3.679 20 30 CHEDLO CC(=[NH+]NCc1cccc(F)c1)c1ccc(N)cc1Cl ZINC000782901594 1120062959 /nfs/dbraw/zinc/06/29/59/1120062959.db2.gz LFYPJGNXAOFATJ-UHFFFAOYSA-N 1 2 291.757 3.575 20 30 CHEDLO Cc1ccc(Nc2nc(C(F)(F)F)ccc2C#N)c(C)[nH+]1 ZINC000094666201 1120063653 /nfs/dbraw/zinc/06/36/53/1120063653.db2.gz FWNOVKUAQMHBJV-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348539310 1120068390 /nfs/dbraw/zinc/06/83/90/1120068390.db2.gz LUDBIGQQAXOMKX-KRWDZBQOSA-N 1 2 266.319 3.644 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348539310 1120068395 /nfs/dbraw/zinc/06/83/95/1120068395.db2.gz LUDBIGQQAXOMKX-KRWDZBQOSA-N 1 2 266.319 3.644 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC000903100797 1120069283 /nfs/dbraw/zinc/06/92/83/1120069283.db2.gz YLAIMBSHTLPZLY-SECBINFHSA-N 1 2 286.297 3.627 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@@H]3CCCc4cccnc43)c2)CC1 ZINC001168654830 1120174930 /nfs/dbraw/zinc/17/49/30/1120174930.db2.gz GXOGWECZFCFJIC-OAHLLOKOSA-N 1 2 290.370 3.521 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CCC[C@H]2CCCCO2)c1 ZINC000184307263 1120354687 /nfs/dbraw/zinc/35/46/87/1120354687.db2.gz IWWIRWLZBUSOOT-COYFKBPASA-N 1 2 291.391 3.559 20 30 CHEDLO CCCCCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000781930348 1120584523 /nfs/dbraw/zinc/58/45/23/1120584523.db2.gz KZPUGPLXVIYWKC-HNNXBMFYSA-N 1 2 293.407 3.524 20 30 CHEDLO CCCCCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000781930348 1120584528 /nfs/dbraw/zinc/58/45/28/1120584528.db2.gz KZPUGPLXVIYWKC-HNNXBMFYSA-N 1 2 293.407 3.524 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000157460491 1120646052 /nfs/dbraw/zinc/64/60/52/1120646052.db2.gz XQHRDLJXLVBFIE-UHFFFAOYSA-N 1 2 291.420 3.976 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000157460491 1120646056 /nfs/dbraw/zinc/64/60/56/1120646056.db2.gz XQHRDLJXLVBFIE-UHFFFAOYSA-N 1 2 291.420 3.976 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000162731233 1120691446 /nfs/dbraw/zinc/69/14/46/1120691446.db2.gz YHLCMDARUUHLRP-ZDUSSCGKSA-N 1 2 291.807 3.909 20 30 CHEDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000162801267 1120693278 /nfs/dbraw/zinc/69/32/78/1120693278.db2.gz HQYUSTWBMVYHBU-SNVBAGLBSA-N 1 2 291.807 3.827 20 30 CHEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C(C)(C)C ZINC000661756617 1120808611 /nfs/dbraw/zinc/80/86/11/1120808611.db2.gz STIASDZTQHRDJZ-CYBMUJFWSA-N 1 2 295.427 3.590 20 30 CHEDLO C=CC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C(C)(C)C ZINC000661756617 1120808615 /nfs/dbraw/zinc/80/86/15/1120808615.db2.gz STIASDZTQHRDJZ-CYBMUJFWSA-N 1 2 295.427 3.590 20 30 CHEDLO C=CCCOc1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630053924 1128946144 /nfs/dbraw/zinc/94/61/44/1128946144.db2.gz YUJTWMBOHAHKAJ-UHFFFAOYSA-N 1 2 268.360 3.841 20 30 CHEDLO N#C[C@H]1CC[C@H](Nc2ccc(F)c(-n3cc[nH+]c3)c2)CC1 ZINC001167846033 1121091105 /nfs/dbraw/zinc/09/11/05/1121091105.db2.gz RYSGDEAUPAHGRQ-JOCQHMNTSA-N 1 2 284.338 3.506 20 30 CHEDLO CC[N@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1C#N ZINC000614166377 1121499735 /nfs/dbraw/zinc/49/97/35/1121499735.db2.gz FKEZCRJUBYFVFI-UHFFFAOYSA-N 1 2 290.716 3.986 20 30 CHEDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1C#N ZINC000614166377 1121499737 /nfs/dbraw/zinc/49/97/37/1121499737.db2.gz FKEZCRJUBYFVFI-UHFFFAOYSA-N 1 2 290.716 3.986 20 30 CHEDLO C=CCn1cc(Nc2c[nH+]c(CC(C)C)cc2C)cn1 ZINC001176545877 1121641552 /nfs/dbraw/zinc/64/15/52/1121641552.db2.gz KWLVRCMWGBLWBR-UHFFFAOYSA-N 1 2 270.380 3.715 20 30 CHEDLO C#Cc1cc(Nc2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC001176571144 1121657273 /nfs/dbraw/zinc/65/72/73/1121657273.db2.gz XKBWEVPAVHAJFF-UHFFFAOYSA-N 1 2 263.127 3.535 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCSC(C)(C)C)c(O)c1 ZINC000727265760 1121712383 /nfs/dbraw/zinc/71/23/83/1121712383.db2.gz XKSLYXUFOHULSQ-WJDWOHSUSA-N 1 2 281.421 3.742 20 30 CHEDLO C=C(Br)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000730379083 1121803364 /nfs/dbraw/zinc/80/33/64/1121803364.db2.gz YLZZZTIKVGDCPN-LLVKDONJSA-N 1 2 266.182 3.514 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000285959112 1121765222 /nfs/dbraw/zinc/76/52/22/1121765222.db2.gz FJMGHIIMZJDLSV-HZMBPMFUSA-N 1 2 277.318 3.656 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(C)oc1C ZINC000730148405 1121794333 /nfs/dbraw/zinc/79/43/33/1121794333.db2.gz TZVKKVCDOINLRA-UHFFFAOYSA-N 1 2 279.343 3.703 20 30 CHEDLO COc1cccc(C(C)=NNc2cc[nH+]c3ccccc23)c1 ZINC000730148162 1121794534 /nfs/dbraw/zinc/79/45/34/1121794534.db2.gz YTWJCCZYRZANCG-UHFFFAOYSA-N 1 2 291.354 3.501 20 30 CHEDLO C=C(Br)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000730379083 1121803353 /nfs/dbraw/zinc/80/33/53/1121803353.db2.gz YLZZZTIKVGDCPN-LLVKDONJSA-N 1 2 266.182 3.514 20 30 CHEDLO Cc1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CC2 ZINC000730950287 1121838699 /nfs/dbraw/zinc/83/86/99/1121838699.db2.gz COKZRFFYTUHQPX-UHFFFAOYSA-N 1 2 287.366 3.728 20 30 CHEDLO COc1ccc2[nH]cc(CC/[NH+]=C/c3ccccc3O)c2c1 ZINC000733080953 1121955697 /nfs/dbraw/zinc/95/56/97/1121955697.db2.gz HOBLXVMLMOYHMN-YBFXNURJSA-N 1 2 294.354 3.544 20 30 CHEDLO CC#CCCCCCCCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001182767230 1122188421 /nfs/dbraw/zinc/18/84/21/1122188421.db2.gz OMOXVNHZTUCCDO-UHFFFAOYSA-N 1 2 298.430 3.685 20 30 CHEDLO C=C(Cl)C[C@@H]([NH2+][C@H](CC)CCCC)C(=O)OCC ZINC001183312517 1122217115 /nfs/dbraw/zinc/21/71/15/1122217115.db2.gz KZMCDKILRDOSSK-CHWSQXEVSA-N 1 2 275.820 3.619 20 30 CHEDLO CC1CCC(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000505749146 1122509327 /nfs/dbraw/zinc/50/93/27/1122509327.db2.gz BMSXPUHSTZIRNB-UHFFFAOYSA-N 1 2 260.381 3.822 20 30 CHEDLO CC1CCC(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000505749146 1122509329 /nfs/dbraw/zinc/50/93/29/1122509329.db2.gz BMSXPUHSTZIRNB-UHFFFAOYSA-N 1 2 260.381 3.822 20 30 CHEDLO Cc1ccc(C[S@](=O)CCCCC(C)(C)C#N)c(C)[nH+]1 ZINC000436087711 1122511292 /nfs/dbraw/zinc/51/12/92/1122511292.db2.gz KHYZMBAGKWNEJM-HXUWFJFHSA-N 1 2 292.448 3.667 20 30 CHEDLO CC(C)n1ccnc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540167 1122549182 /nfs/dbraw/zinc/54/91/82/1122549182.db2.gz VAZRPLPSGCUZBB-CQSZACIVSA-N 1 2 282.391 3.529 20 30 CHEDLO CC(C)n1ccnc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540167 1122549185 /nfs/dbraw/zinc/54/91/85/1122549185.db2.gz VAZRPLPSGCUZBB-CQSZACIVSA-N 1 2 282.391 3.529 20 30 CHEDLO C=CC[NH+](CC=C)Cc1c(F)cccc1N1CCCC1 ZINC000505876712 1122578954 /nfs/dbraw/zinc/57/89/54/1122578954.db2.gz LIYTVAPLFCPTQU-UHFFFAOYSA-N 1 2 274.383 3.600 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC000516494612 1122605855 /nfs/dbraw/zinc/60/58/55/1122605855.db2.gz QDBXCCLWGLQUMM-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC000516494612 1122605861 /nfs/dbraw/zinc/60/58/61/1122605861.db2.gz QDBXCCLWGLQUMM-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437584769 1122643530 /nfs/dbraw/zinc/64/35/30/1122643530.db2.gz YAPNKMWFOGCXRM-SECBINFHSA-N 1 2 290.716 3.950 20 30 CHEDLO Cc1[nH]c2ccccc2c1CC/[NH+]=C/c1ccccc1O ZINC000726890891 1122704842 /nfs/dbraw/zinc/70/48/42/1122704842.db2.gz MFDVQDXTIXFDFR-XDHOZWIPSA-N 1 2 278.355 3.844 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000439428935 1122779174 /nfs/dbraw/zinc/77/91/74/1122779174.db2.gz GXWDUTSIHSRREF-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000439428935 1122779179 /nfs/dbraw/zinc/77/91/79/1122779179.db2.gz GXWDUTSIHSRREF-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO CC(C)CSCCC[N@H+](CC#N)C1CCCC1 ZINC000154050242 1129082184 /nfs/dbraw/zinc/08/21/84/1129082184.db2.gz HTFICRFPGBXPSI-UHFFFAOYSA-N 1 2 254.443 3.534 20 30 CHEDLO CC(C)CSCCC[N@@H+](CC#N)C1CCCC1 ZINC000154050242 1129082189 /nfs/dbraw/zinc/08/21/89/1129082189.db2.gz HTFICRFPGBXPSI-UHFFFAOYSA-N 1 2 254.443 3.534 20 30 CHEDLO C=CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775695284 1122911053 /nfs/dbraw/zinc/91/10/53/1122911053.db2.gz SITRYGUQKOXCJD-UHFFFAOYSA-N 1 2 269.747 3.583 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000334208956 1122971119 /nfs/dbraw/zinc/97/11/19/1122971119.db2.gz KIAIMFDHHXIFMZ-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO N#Cc1ccc(-c2ccccc2Nc2ccc(N)[nH+]c2)cc1 ZINC001201295391 1123085004 /nfs/dbraw/zinc/08/50/04/1123085004.db2.gz QTLQAAAAWTWNSN-UHFFFAOYSA-N 1 2 286.338 3.946 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C#N)cc1F ZINC001201566625 1123124805 /nfs/dbraw/zinc/12/48/05/1123124805.db2.gz JOMKYKQJWSRREG-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO N#CCCC[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000340448404 1123145879 /nfs/dbraw/zinc/14/58/79/1123145879.db2.gz SMPKXCGBSNDLQM-DLBZAZTESA-N 1 2 294.402 3.812 20 30 CHEDLO CCCCCCC[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001201798498 1123150346 /nfs/dbraw/zinc/15/03/46/1123150346.db2.gz WQRMVGLXIXPXRI-UHFFFAOYSA-N 1 2 291.439 3.521 20 30 CHEDLO CCCCCCC[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001201798498 1123150350 /nfs/dbraw/zinc/15/03/50/1123150350.db2.gz WQRMVGLXIXPXRI-UHFFFAOYSA-N 1 2 291.439 3.521 20 30 CHEDLO CCc1noc(C)c1[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000850552459 1123290129 /nfs/dbraw/zinc/29/01/29/1123290129.db2.gz ZYOPAHOICLHNQA-GFCCVEGCSA-N 1 2 275.396 3.670 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428254209 1123328280 /nfs/dbraw/zinc/32/82/80/1123328280.db2.gz UKCFOJHABPJQLX-ZDUSSCGKSA-N 1 2 280.346 3.644 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1C#N ZINC000428254209 1123328282 /nfs/dbraw/zinc/32/82/82/1123328282.db2.gz UKCFOJHABPJQLX-ZDUSSCGKSA-N 1 2 280.346 3.644 20 30 CHEDLO N#CCCC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335381211 1123367284 /nfs/dbraw/zinc/36/72/84/1123367284.db2.gz VDVROBZQLPOLPP-UHFFFAOYSA-N 1 2 283.350 3.894 20 30 CHEDLO COc1ccc2c(c1)CCCC[N@H+]2CCC(C)(C)C#N ZINC000776598064 1123406456 /nfs/dbraw/zinc/40/64/56/1123406456.db2.gz PYICTFMNALDPDV-UHFFFAOYSA-N 1 2 272.392 3.778 20 30 CHEDLO COc1ccc2c(c1)CCCC[N@@H+]2CCC(C)(C)C#N ZINC000776598064 1123406459 /nfs/dbraw/zinc/40/64/59/1123406459.db2.gz PYICTFMNALDPDV-UHFFFAOYSA-N 1 2 272.392 3.778 20 30 CHEDLO N#CC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000157170009 1129123510 /nfs/dbraw/zinc/12/35/10/1129123510.db2.gz JWISTCCXWNBTRP-UHFFFAOYSA-N 1 2 283.400 3.546 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729545000 1123498167 /nfs/dbraw/zinc/49/81/67/1123498167.db2.gz PKGGTWYWVBKLSL-GFCCVEGCSA-N 1 2 284.172 3.524 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729545000 1123498169 /nfs/dbraw/zinc/49/81/69/1123498169.db2.gz PKGGTWYWVBKLSL-GFCCVEGCSA-N 1 2 284.172 3.524 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000896502069 1123590728 /nfs/dbraw/zinc/59/07/28/1123590728.db2.gz UZYGQRBFGDZFOZ-JTQLQIEISA-N 1 2 291.807 3.685 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000896502069 1123590732 /nfs/dbraw/zinc/59/07/32/1123590732.db2.gz UZYGQRBFGDZFOZ-JTQLQIEISA-N 1 2 291.807 3.685 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000896506047 1123591003 /nfs/dbraw/zinc/59/10/03/1123591003.db2.gz RZOUPFZZCWIDHD-CQSZACIVSA-N 1 2 266.344 3.682 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000896506047 1123591008 /nfs/dbraw/zinc/59/10/08/1123591008.db2.gz RZOUPFZZCWIDHD-CQSZACIVSA-N 1 2 266.344 3.682 20 30 CHEDLO CC(C)O[C@@H](C[N@H+](C[C@@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308099 1123641961 /nfs/dbraw/zinc/64/19/61/1123641961.db2.gz YJYPGPCOYQPBOT-YJBOKZPZSA-N 1 2 286.419 3.777 20 30 CHEDLO CC(C)O[C@@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308099 1123641963 /nfs/dbraw/zinc/64/19/63/1123641963.db2.gz YJYPGPCOYQPBOT-YJBOKZPZSA-N 1 2 286.419 3.777 20 30 CHEDLO CC(C)O[C@H](C[N@H+](C[C@@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308097 1123642489 /nfs/dbraw/zinc/64/24/89/1123642489.db2.gz YJYPGPCOYQPBOT-MAUKXSAKSA-N 1 2 286.419 3.777 20 30 CHEDLO CC(C)O[C@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308097 1123642492 /nfs/dbraw/zinc/64/24/92/1123642492.db2.gz YJYPGPCOYQPBOT-MAUKXSAKSA-N 1 2 286.419 3.777 20 30 CHEDLO CCc1nc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000346133410 1123665263 /nfs/dbraw/zinc/66/52/63/1123665263.db2.gz JKEDKHFBGXARPH-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(F)c1C ZINC000862238969 1123794519 /nfs/dbraw/zinc/79/45/19/1123794519.db2.gz QGCSDMSZXXRSTQ-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(F)c1C ZINC000862238969 1123794521 /nfs/dbraw/zinc/79/45/21/1123794521.db2.gz QGCSDMSZXXRSTQ-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO CC[C@](C)([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000173496968 1123841265 /nfs/dbraw/zinc/84/12/65/1123841265.db2.gz YMHJOJDNYDLLFB-HNNXBMFYSA-N 1 2 289.379 3.569 20 30 CHEDLO N#Cc1csc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000121376971 1124000342 /nfs/dbraw/zinc/00/03/42/1124000342.db2.gz VNEZQGPGQPZJEQ-UHFFFAOYSA-N 1 2 298.346 3.557 20 30 CHEDLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866249414 1124041174 /nfs/dbraw/zinc/04/11/74/1124041174.db2.gz JZGWQJZBOYLBBO-OLZOCXBDSA-N 1 2 296.370 3.684 20 30 CHEDLO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866294722 1124048419 /nfs/dbraw/zinc/04/84/19/1124048419.db2.gz MEECUPFVEFXXSC-SCLBCKFNSA-N 1 2 292.382 3.910 20 30 CHEDLO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866294721 1124048511 /nfs/dbraw/zinc/04/85/11/1124048511.db2.gz MEECUPFVEFXXSC-FZKQIMNGSA-N 1 2 292.382 3.910 20 30 CHEDLO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866311131 1124050076 /nfs/dbraw/zinc/05/00/76/1124050076.db2.gz KRKMUVPIOILUNN-QWHCGFSZSA-N 1 2 295.386 3.633 20 30 CHEDLO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866311127 1124050379 /nfs/dbraw/zinc/05/03/79/1124050379.db2.gz KRKMUVPIOILUNN-CHWSQXEVSA-N 1 2 295.386 3.633 20 30 CHEDLO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000866355340 1124056609 /nfs/dbraw/zinc/05/66/09/1124056609.db2.gz WUWKZCXHHMZKRH-LLVKDONJSA-N 1 2 294.345 3.740 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000444737454 1124057553 /nfs/dbraw/zinc/05/75/53/1124057553.db2.gz SBPHEUWBJIUSFX-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444737454 1124057557 /nfs/dbraw/zinc/05/75/57/1124057557.db2.gz SBPHEUWBJIUSFX-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1cccc(C#N)c1O ZINC000866373475 1124058973 /nfs/dbraw/zinc/05/89/73/1124058973.db2.gz NYCTZNHCQJBOON-XSRFYTQQSA-N 1 2 294.345 3.738 20 30 CHEDLO C[C@@H](c1cccs1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428469272 1124133960 /nfs/dbraw/zinc/13/39/60/1124133960.db2.gz SXDIZBFGINCJBE-NSHDSACASA-N 1 2 274.364 3.952 20 30 CHEDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428469272 1124133962 /nfs/dbraw/zinc/13/39/62/1124133962.db2.gz SXDIZBFGINCJBE-NSHDSACASA-N 1 2 274.364 3.952 20 30 CHEDLO C=CCCCC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000449239996 1124678750 /nfs/dbraw/zinc/67/87/50/1124678750.db2.gz XJDPHCJRWRRSDG-GDBMZVCRSA-N 1 2 284.407 3.619 20 30 CHEDLO CC(C)(C)c1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821028787 1131315591 /nfs/dbraw/zinc/31/55/91/1131315591.db2.gz VWNABOYSZZOMPZ-WMZJFQQLSA-N 1 2 280.371 3.857 20 30 CHEDLO Cc1c(/C=C/c2ccc(C#N)cc2)ccc2[nH+]ccn21 ZINC001239303543 1131312530 /nfs/dbraw/zinc/31/25/30/1131312530.db2.gz AQAJFIBZIHHMAB-VOTSOKGWSA-N 1 2 259.312 3.685 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)s1 ZINC000449638249 1124833692 /nfs/dbraw/zinc/83/36/92/1124833692.db2.gz JUUSWVFWVKPSNM-HNNXBMFYSA-N 1 2 284.384 3.940 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)s1 ZINC000449638249 1124833701 /nfs/dbraw/zinc/83/37/01/1124833701.db2.gz JUUSWVFWVKPSNM-HNNXBMFYSA-N 1 2 284.384 3.940 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000876790950 1124977572 /nfs/dbraw/zinc/97/75/72/1124977572.db2.gz ACVBOWWMNMDTEL-SNVBAGLBSA-N 1 2 289.766 3.605 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000876790950 1124977579 /nfs/dbraw/zinc/97/75/79/1124977579.db2.gz ACVBOWWMNMDTEL-SNVBAGLBSA-N 1 2 289.766 3.605 20 30 CHEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000876848895 1124985431 /nfs/dbraw/zinc/98/54/31/1124985431.db2.gz NPTFDUHBXOJNMS-NSHDSACASA-N 1 2 265.788 3.758 20 30 CHEDLO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)CC#N)c2cc1C(C)C ZINC000878818110 1125181013 /nfs/dbraw/zinc/18/10/13/1125181013.db2.gz LDXSMNNOGRPHHP-CYBMUJFWSA-N 1 2 298.386 3.617 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000880389159 1125270782 /nfs/dbraw/zinc/27/07/82/1125270782.db2.gz DBRWYSRKHASZCI-HNNXBMFYSA-N 1 2 273.405 3.725 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000129785163 1125349608 /nfs/dbraw/zinc/34/96/08/1125349608.db2.gz LEOQSFXQWIKNDH-QMMMGPOBSA-N 1 2 292.579 3.991 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000168924887 1125355766 /nfs/dbraw/zinc/35/57/66/1125355766.db2.gz MKTSRQCOKJJFOO-UHFFFAOYSA-N 1 2 272.323 3.725 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c(F)c1 ZINC000883382301 1125406916 /nfs/dbraw/zinc/40/69/16/1125406916.db2.gz DKVJQRFBRKXWFV-SJLPKXTDSA-N 1 2 298.336 3.813 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Cl)cc1 ZINC000133155593 1125434332 /nfs/dbraw/zinc/43/43/32/1125434332.db2.gz UXYSJYCFTOFTTG-CMDGGOBGSA-N 1 2 282.730 3.884 20 30 CHEDLO C=C(Cl)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000795222071 1129192785 /nfs/dbraw/zinc/19/27/85/1129192785.db2.gz HJBDAUVNTDACOX-UHFFFAOYSA-N 1 2 251.732 3.667 20 30 CHEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000795222071 1129192787 /nfs/dbraw/zinc/19/27/87/1129192787.db2.gz HJBDAUVNTDACOX-UHFFFAOYSA-N 1 2 251.732 3.667 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1C ZINC000640029555 1129345182 /nfs/dbraw/zinc/34/51/82/1129345182.db2.gz JEEXURAIDODTLZ-AEFFLSMTSA-N 1 2 298.430 3.939 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1C ZINC000640029555 1129345185 /nfs/dbraw/zinc/34/51/85/1129345185.db2.gz JEEXURAIDODTLZ-AEFFLSMTSA-N 1 2 298.430 3.939 20 30 CHEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccccc2)oc1=S ZINC000736582836 1129377182 /nfs/dbraw/zinc/37/71/82/1129377182.db2.gz KSZGYPSZVUVHDF-UHFFFAOYSA-N 1 2 289.404 3.728 20 30 CHEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccccc2)oc1=S ZINC000736582836 1129377187 /nfs/dbraw/zinc/37/71/87/1129377187.db2.gz KSZGYPSZVUVHDF-UHFFFAOYSA-N 1 2 289.404 3.728 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OC(C)C ZINC000739915448 1129409931 /nfs/dbraw/zinc/40/99/31/1129409931.db2.gz ZUJWZZBCWQVYQW-UHFFFAOYSA-N 1 2 274.408 3.845 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OC(C)C ZINC000739915448 1129409934 /nfs/dbraw/zinc/40/99/34/1129409934.db2.gz ZUJWZZBCWQVYQW-UHFFFAOYSA-N 1 2 274.408 3.845 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCc2cc(C)cc(C)c2)c1 ZINC000740763271 1129418863 /nfs/dbraw/zinc/41/88/63/1129418863.db2.gz FBDZJTDVEHXUHQ-UNOMPAQXSA-N 1 2 283.371 3.679 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)c2cccc(C)c2)c1 ZINC000741165064 1129430967 /nfs/dbraw/zinc/43/09/67/1129430967.db2.gz FTZVGRHQEIOXFY-BXUJETTOSA-N 1 2 283.371 3.932 20 30 CHEDLO Cc1cccn2c(/C=C3/Cc4c(cccc4F)C3=O)c[nH+]c12 ZINC000741468389 1129436744 /nfs/dbraw/zinc/43/67/44/1129436744.db2.gz SIIUCUYIUPNMMV-WQLSENKSSA-N 1 2 292.313 3.604 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc(C)c1F ZINC000741468307 1129436840 /nfs/dbraw/zinc/43/68/40/1129436840.db2.gz VLGNTLSEPSBHGE-SREVYHEPSA-N 1 2 294.329 3.986 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@H](C)c2ccc(C)cc2)c1 ZINC000737440349 1129447935 /nfs/dbraw/zinc/44/79/35/1129447935.db2.gz FPJLVTARBUCNQF-YQNUULROSA-N 1 2 283.371 3.932 20 30 CHEDLO C=CC[N@@H+](Cc1c(Cl)cccc1C(=O)OC)C(C)C ZINC000795868627 1129454377 /nfs/dbraw/zinc/45/43/77/1129454377.db2.gz QMRPLAABXFBWIS-UHFFFAOYSA-N 1 2 281.783 3.523 20 30 CHEDLO C=CC[N@H+](Cc1c(Cl)cccc1C(=O)OC)C(C)C ZINC000795868627 1129454378 /nfs/dbraw/zinc/45/43/78/1129454378.db2.gz QMRPLAABXFBWIS-UHFFFAOYSA-N 1 2 281.783 3.523 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000743442817 1129524643 /nfs/dbraw/zinc/52/46/43/1129524643.db2.gz HXOZSNUTYXVGGY-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO CC[NH+](CC)c1ccc(Nc2cc(C#N)c(F)cc2O)cc1 ZINC001212970790 1129644113 /nfs/dbraw/zinc/64/41/13/1129644113.db2.gz JJOZMHOANUUQCD-UHFFFAOYSA-N 1 2 299.349 3.993 20 30 CHEDLO N#CCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccco1 ZINC000822663945 1131392702 /nfs/dbraw/zinc/39/27/02/1131392702.db2.gz JMLKNBQZAACKTH-LLVKDONJSA-N 1 2 287.190 3.579 20 30 CHEDLO N#CCC[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccco1 ZINC000822663945 1131392707 /nfs/dbraw/zinc/39/27/07/1131392707.db2.gz JMLKNBQZAACKTH-LLVKDONJSA-N 1 2 287.190 3.579 20 30 CHEDLO C=CCC(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000796462799 1129734241 /nfs/dbraw/zinc/73/42/41/1129734241.db2.gz IALVMXZDGBLEHU-UHFFFAOYSA-N 1 2 284.359 3.518 20 30 CHEDLO CC#CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001169645089 1129743156 /nfs/dbraw/zinc/74/31/56/1129743156.db2.gz UMIDZVQNPJWQAQ-CQSZACIVSA-N 1 2 285.284 3.599 20 30 CHEDLO CC#CC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001169645089 1129743157 /nfs/dbraw/zinc/74/31/57/1129743157.db2.gz UMIDZVQNPJWQAQ-CQSZACIVSA-N 1 2 285.284 3.599 20 30 CHEDLO C=CC[C@H]1N(C(=O)c2cccc3[nH+]ccn32)CCCC1(C)C ZINC000767230040 1129782714 /nfs/dbraw/zinc/78/27/14/1129782714.db2.gz WCEVFIFMIPNVNL-OAHLLOKOSA-N 1 2 297.402 3.541 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OCC1CC1 ZINC000768153350 1129836050 /nfs/dbraw/zinc/83/60/50/1129836050.db2.gz DQMXNQPQVCSSGJ-UHFFFAOYSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OCC1CC1 ZINC000768153350 1129836051 /nfs/dbraw/zinc/83/60/51/1129836051.db2.gz DQMXNQPQVCSSGJ-UHFFFAOYSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000768153188 1129836637 /nfs/dbraw/zinc/83/66/37/1129836637.db2.gz AMOAHHYSUAHWJB-UHFFFAOYSA-N 1 2 286.419 3.772 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000768153188 1129836641 /nfs/dbraw/zinc/83/66/41/1129836641.db2.gz AMOAHHYSUAHWJB-UHFFFAOYSA-N 1 2 286.419 3.772 20 30 CHEDLO COCC1(C/[NH+]=C/c2c(O)ccc3ccccc32)CCC1 ZINC000800721195 1129885753 /nfs/dbraw/zinc/88/57/53/1129885753.db2.gz KPTSTUMHGHNSQJ-YBFXNURJSA-N 1 2 283.371 3.781 20 30 CHEDLO Cc1cc2c(cc1C)C(=O)/C(=C\c1cccc3[nH+]ccn31)O2 ZINC000769609444 1129919111 /nfs/dbraw/zinc/91/91/11/1129919111.db2.gz JNXOFSDQJPPLSC-MHWRWJLKSA-N 1 2 290.322 3.567 20 30 CHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c(F)c1 ZINC000901420703 1129923353 /nfs/dbraw/zinc/92/33/53/1129923353.db2.gz SVXSNHSPMHJGCF-DAXSKMNVSA-N 1 2 288.322 3.508 20 30 CHEDLO COc1ccsc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000769779520 1129923742 /nfs/dbraw/zinc/92/37/42/1129923742.db2.gz LGISVJXWCCOQDT-UHFFFAOYSA-N 1 2 297.383 3.563 20 30 CHEDLO Cc1ccccc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901430165 1129924449 /nfs/dbraw/zinc/92/44/49/1129924449.db2.gz IWPMEQYKCRKIDK-HJWRWDBZSA-N 1 2 254.333 3.669 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2sccc2C1=O ZINC000901466666 1129927143 /nfs/dbraw/zinc/92/71/43/1129927143.db2.gz CDJILMQRCVLLGU-YRNVUSSQSA-N 1 2 272.373 3.738 20 30 CHEDLO Cc1cccc(F)c1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000769840589 1129928206 /nfs/dbraw/zinc/92/82/06/1129928206.db2.gz LYIZCFXEZRQGPA-UHFFFAOYSA-N 1 2 294.333 3.766 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2ccc(Cl)cc2C1=O ZINC000901491755 1129930574 /nfs/dbraw/zinc/93/05/74/1129930574.db2.gz VODMGKMFWFHPCA-WUXMJOGZSA-N 1 2 286.762 3.940 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000769977288 1129934006 /nfs/dbraw/zinc/93/40/06/1129934006.db2.gz DVUXVIAYZRJYIT-NSHDSACASA-N 1 2 290.819 3.917 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000769977288 1129934008 /nfs/dbraw/zinc/93/40/08/1129934008.db2.gz DVUXVIAYZRJYIT-NSHDSACASA-N 1 2 290.819 3.917 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2c(F)cccc2C1=O ZINC000901543710 1129935462 /nfs/dbraw/zinc/93/54/62/1129935462.db2.gz KESFTXAWPRXUAK-WQLSENKSSA-N 1 2 284.334 3.816 20 30 CHEDLO N#Cc1cc(F)ccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001242583500 1129945174 /nfs/dbraw/zinc/94/51/74/1129945174.db2.gz YXRMJFFDUXUGQM-UHFFFAOYSA-N 1 2 263.275 3.550 20 30 CHEDLO CCC(CC)[C@@H](CC/[NH+]=C/c1cccc(OC)c1O)OC ZINC000746521507 1130001415 /nfs/dbraw/zinc/00/14/15/1130001415.db2.gz IRGIRVTXIILKNW-GYZOOYGHSA-N 1 2 293.407 3.661 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001239742056 1130083527 /nfs/dbraw/zinc/08/35/27/1130083527.db2.gz SHQQVTGYDLQSTF-RGVLZGJSSA-N 1 2 281.334 3.894 20 30 CHEDLO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(Cl)c1 ZINC000903034958 1130103053 /nfs/dbraw/zinc/10/30/53/1130103053.db2.gz HAUPJSHXNPQVBO-NSHDSACASA-N 1 2 278.783 3.693 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1Br ZINC000903102349 1130112223 /nfs/dbraw/zinc/11/22/23/1130112223.db2.gz WPBFVXWHZMJVPL-VIFPVBQESA-N 1 2 297.171 3.543 20 30 CHEDLO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(Cl)c1 ZINC000903101659 1130112343 /nfs/dbraw/zinc/11/23/43/1130112343.db2.gz KNUKYEOZAQEJPY-JTQLQIEISA-N 1 2 266.772 3.549 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCC1 ZINC000903109515 1130114977 /nfs/dbraw/zinc/11/49/77/1130114977.db2.gz QKYBNYLTBCPHQF-AWEZNQCLSA-N 1 2 276.330 3.626 20 30 CHEDLO CCO[C@@H](CC/[NH+]=C\c1cccc(O)c1O)C1CCCC1 ZINC000746817109 1130252031 /nfs/dbraw/zinc/25/20/31/1130252031.db2.gz WARMCCGGCODSBI-JIHKLPAASA-N 1 2 291.391 3.502 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3\CCc4ccccc4C3=O)n21 ZINC000748993599 1130257742 /nfs/dbraw/zinc/25/77/42/1130257742.db2.gz ARGNZTBXMCLJES-RVDMUPIBSA-N 1 2 288.350 3.855 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCc2cccc(C)c2)c1O ZINC000749103779 1130263932 /nfs/dbraw/zinc/26/39/32/1130263932.db2.gz BNAAYQOWKGANNM-CPNJWEJPSA-N 1 2 283.371 3.761 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000790548451 1130319501 /nfs/dbraw/zinc/31/95/01/1130319501.db2.gz QCTJXQRKZNEYKA-UHFFFAOYSA-N 1 2 283.652 3.566 20 30 CHEDLO CC(C)(C)c1ccc(C#N)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240502996 1130332646 /nfs/dbraw/zinc/33/26/46/1130332646.db2.gz FDPGPSCAAAUVJV-UHFFFAOYSA-N 1 2 276.343 3.565 20 30 CHEDLO N#CCCCCNc1cc(-c2ccccc2)cc[nH+]1 ZINC001157638132 1130420538 /nfs/dbraw/zinc/42/05/38/1130420538.db2.gz RRFYWHJPBCXZJF-UHFFFAOYSA-N 1 2 251.333 3.854 20 30 CHEDLO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@H](C#N)C1 ZINC001170288818 1130480688 /nfs/dbraw/zinc/48/06/88/1130480688.db2.gz XIEPTQFLXJKMDD-QWHCGFSZSA-N 1 2 262.784 3.507 20 30 CHEDLO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](C#N)C1 ZINC001170288818 1130480692 /nfs/dbraw/zinc/48/06/92/1130480692.db2.gz XIEPTQFLXJKMDD-QWHCGFSZSA-N 1 2 262.784 3.507 20 30 CHEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359253 1130484406 /nfs/dbraw/zinc/48/44/06/1130484406.db2.gz QVLHPRXAPJUVLU-XBMUEBEBSA-N 1 2 295.430 3.918 20 30 CHEDLO N#CC1(c2ccccc2)CCC([NH+]2CC(F)(C3CC3)C2)CC1 ZINC001170378878 1130489717 /nfs/dbraw/zinc/48/97/17/1130489717.db2.gz MFHQDRUDFQYRAF-UHFFFAOYSA-N 1 2 298.405 3.824 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCC#Cc1ccccc1 ZINC001170426141 1130521037 /nfs/dbraw/zinc/52/10/37/1130521037.db2.gz LXDMRQVCSSQAMB-UHFFFAOYSA-N 1 2 262.356 3.582 20 30 CHEDLO COc1cccc2[nH+]c(NCC#Cc3ccccc3)ccc21 ZINC001170426536 1130523942 /nfs/dbraw/zinc/52/39/42/1130523942.db2.gz WNKVEMNGOHUIFK-UHFFFAOYSA-N 1 2 288.350 3.707 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2ccccc2)c1O ZINC000005290308 1130552000 /nfs/dbraw/zinc/55/20/00/1130552000.db2.gz CIGUGPMEGSWEDY-RNEAKCBISA-N 1 2 269.344 3.623 20 30 CHEDLO C[C@H](C[C@@H]1CCOC1)/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000759643616 1130666024 /nfs/dbraw/zinc/66/60/24/1130666024.db2.gz NSLFHKCHASXKHC-GTPXURPMSA-N 1 2 283.371 3.779 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235124256 1130712679 /nfs/dbraw/zinc/71/26/79/1130712679.db2.gz CSBKOOBHDVOPJJ-GOSISDBHSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235124256 1130712681 /nfs/dbraw/zinc/71/26/81/1130712681.db2.gz CSBKOOBHDVOPJJ-GOSISDBHSA-N 1 2 293.370 3.609 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000812792599 1130715202 /nfs/dbraw/zinc/71/52/02/1130715202.db2.gz FBQXPDPUDAWSAK-HNNXBMFYSA-N 1 2 289.737 3.649 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccc(O)c1 ZINC000783699716 1130849191 /nfs/dbraw/zinc/84/91/91/1130849191.db2.gz GBICJQOWAWQCIT-PLNGDYQASA-N 1 2 296.351 3.536 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(Cl)c(N)c1 ZINC000814859631 1130924891 /nfs/dbraw/zinc/92/48/91/1130924891.db2.gz XUXJMDVXLSAZQW-UHFFFAOYSA-N 1 2 295.173 3.807 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(-c2ccc(C#N)cc2F)c1 ZINC001236531773 1130966666 /nfs/dbraw/zinc/96/66/66/1130966666.db2.gz NGUQCWFOQBOPDU-UHFFFAOYSA-N 1 2 277.302 3.765 20 30 CHEDLO COc1ccc2sc(C[N@@H+]3CCC[C@H](C#N)C3)cc2c1 ZINC001236657212 1130989302 /nfs/dbraw/zinc/98/93/02/1130989302.db2.gz DCWJOXSRQSEGBP-GFCCVEGCSA-N 1 2 286.400 3.645 20 30 CHEDLO COc1ccc2sc(C[N@H+]3CCC[C@H](C#N)C3)cc2c1 ZINC001236657212 1130989306 /nfs/dbraw/zinc/98/93/06/1130989306.db2.gz DCWJOXSRQSEGBP-GFCCVEGCSA-N 1 2 286.400 3.645 20 30 CHEDLO Oc1cccc(/C=[NH+]/CCCCc2ccccc2)c1O ZINC000798068784 1131023763 /nfs/dbraw/zinc/02/37/63/1131023763.db2.gz WOCJORXTEUKAMD-QGOAFFKASA-N 1 2 269.344 3.540 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cccc(-c2ccccc2)n1 ZINC001237549123 1131113435 /nfs/dbraw/zinc/11/34/35/1131113435.db2.gz JGTPICIWJCDSAS-UHFFFAOYSA-N 1 2 279.387 3.874 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cccc(-c2ccccc2)n1 ZINC001237549123 1131113438 /nfs/dbraw/zinc/11/34/38/1131113438.db2.gz JGTPICIWJCDSAS-UHFFFAOYSA-N 1 2 279.387 3.874 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001237663084 1131124986 /nfs/dbraw/zinc/12/49/86/1131124986.db2.gz IOMTWLQAJOHPKD-UHFFFAOYSA-N 1 2 286.325 3.977 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001237663084 1131124989 /nfs/dbraw/zinc/12/49/89/1131124989.db2.gz IOMTWLQAJOHPKD-UHFFFAOYSA-N 1 2 286.325 3.977 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cc(F)cc(Cl)c1O ZINC001237799529 1131141066 /nfs/dbraw/zinc/14/10/66/1131141066.db2.gz RKZSMWJAZQSGOB-UHFFFAOYSA-N 1 2 257.736 3.583 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cc(F)cc(Cl)c1O ZINC001237799529 1131141062 /nfs/dbraw/zinc/14/10/62/1131141062.db2.gz RKZSMWJAZQSGOB-UHFFFAOYSA-N 1 2 257.736 3.583 20 30 CHEDLO C[NH+](C)c1ccc(N2CCC(=NOC(C)(C)C)CC2)cc1 ZINC001116404389 1131143427 /nfs/dbraw/zinc/14/34/27/1131143427.db2.gz HSJZHHTVMBJLSA-UHFFFAOYSA-N 1 2 289.423 3.524 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(OCC)c1 ZINC001237917088 1131151296 /nfs/dbraw/zinc/15/12/96/1131151296.db2.gz NTMKGJAVJHBHRP-UHFFFAOYSA-N 1 2 278.371 3.740 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(OCC)c1 ZINC001237917088 1131151300 /nfs/dbraw/zinc/15/13/00/1131151300.db2.gz NTMKGJAVJHBHRP-UHFFFAOYSA-N 1 2 278.371 3.740 20 30 CHEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(C)c1Cl ZINC001238092870 1131170744 /nfs/dbraw/zinc/17/07/44/1131170744.db2.gz NDBLYZCFZYCTGV-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(C)c1Cl ZINC001238092870 1131170749 /nfs/dbraw/zinc/17/07/49/1131170749.db2.gz NDBLYZCFZYCTGV-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO N#CC1(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001117992939 1131207185 /nfs/dbraw/zinc/20/71/85/1131207185.db2.gz IXOUXBZJTDHHBO-UHFFFAOYSA-N 1 2 299.374 3.775 20 30 CHEDLO N#CC1(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001117992939 1131207188 /nfs/dbraw/zinc/20/71/88/1131207188.db2.gz IXOUXBZJTDHHBO-UHFFFAOYSA-N 1 2 299.374 3.775 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001238550493 1131214886 /nfs/dbraw/zinc/21/48/86/1131214886.db2.gz FEEKYCVUXDLEBK-OAHLLOKOSA-N 1 2 280.346 3.838 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001238550493 1131214887 /nfs/dbraw/zinc/21/48/87/1131214887.db2.gz FEEKYCVUXDLEBK-OAHLLOKOSA-N 1 2 280.346 3.838 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238561200 1131216999 /nfs/dbraw/zinc/21/69/99/1131216999.db2.gz NYRIAMBDZMXWFV-UHFFFAOYSA-N 1 2 268.335 3.838 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238561200 1131217002 /nfs/dbraw/zinc/21/70/02/1131217002.db2.gz NYRIAMBDZMXWFV-UHFFFAOYSA-N 1 2 268.335 3.838 20 30 CHEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cnc1-c1ccccc1 ZINC001238618776 1131222764 /nfs/dbraw/zinc/22/27/64/1131222764.db2.gz UXWJPHDASODTML-IBGZPJMESA-N 1 2 291.398 3.793 20 30 CHEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cnc1-c1ccccc1 ZINC001238618776 1131222767 /nfs/dbraw/zinc/22/27/67/1131222767.db2.gz UXWJPHDASODTML-IBGZPJMESA-N 1 2 291.398 3.793 20 30 CHEDLO N#CCC[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000819035629 1131229341 /nfs/dbraw/zinc/22/93/41/1131229341.db2.gz XQHNRRXQKHDZHY-LJQANCHMSA-N 1 2 292.382 3.604 20 30 CHEDLO CCCCCCCC[C@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000829492176 1131421431 /nfs/dbraw/zinc/42/14/31/1131421431.db2.gz AAOQYFKGFPJUAM-ZDUSSCGKSA-N 1 2 279.428 3.721 20 30 CHEDLO C#CC[N@@H+](C)Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001137988761 1131447035 /nfs/dbraw/zinc/44/70/35/1131447035.db2.gz ALKJYZTZMVSZQC-UHFFFAOYSA-N 1 2 279.664 3.563 20 30 CHEDLO C#CC[N@H+](C)Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001137988761 1131447037 /nfs/dbraw/zinc/44/70/37/1131447037.db2.gz ALKJYZTZMVSZQC-UHFFFAOYSA-N 1 2 279.664 3.563 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079892 1131462107 /nfs/dbraw/zinc/46/21/07/1131462107.db2.gz FKYIFJRAIGKVEE-GOSISDBHSA-N 1 2 292.382 3.611 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079892 1131462111 /nfs/dbraw/zinc/46/21/11/1131462111.db2.gz FKYIFJRAIGKVEE-GOSISDBHSA-N 1 2 292.382 3.611 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136862394 1131464813 /nfs/dbraw/zinc/46/48/13/1131464813.db2.gz JJWJQUSBHMZYLD-UHFFFAOYSA-N 1 2 275.783 3.947 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136862394 1131464815 /nfs/dbraw/zinc/46/48/15/1131464815.db2.gz JJWJQUSBHMZYLD-UHFFFAOYSA-N 1 2 275.783 3.947 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001138443979 1131507533 /nfs/dbraw/zinc/50/75/33/1131507533.db2.gz MHQSRCQGVPZGSA-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001138443979 1131507536 /nfs/dbraw/zinc/50/75/36/1131507536.db2.gz MHQSRCQGVPZGSA-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001143726708 1131527844 /nfs/dbraw/zinc/52/78/44/1131527844.db2.gz ZLVHRHXZBUSESK-LLVKDONJSA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001143726708 1131527849 /nfs/dbraw/zinc/52/78/49/1131527849.db2.gz ZLVHRHXZBUSESK-LLVKDONJSA-N 1 2 284.737 3.689 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138681589 1131535865 /nfs/dbraw/zinc/53/58/65/1131535865.db2.gz FHBJRCPDPKEWKL-UHFFFAOYSA-N 1 2 268.335 3.838 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138681589 1131535868 /nfs/dbraw/zinc/53/58/68/1131535868.db2.gz FHBJRCPDPKEWKL-UHFFFAOYSA-N 1 2 268.335 3.838 20 30 CHEDLO Cn1c2ccccc2c2cc(C[N@H+](C)CCC#N)ccc21 ZINC001138914243 1131560073 /nfs/dbraw/zinc/56/00/73/1131560073.db2.gz BHQKHSIQVWOQHE-UHFFFAOYSA-N 1 2 277.371 3.677 20 30 CHEDLO Cn1c2ccccc2c2cc(C[N@@H+](C)CCC#N)ccc21 ZINC001138914243 1131560077 /nfs/dbraw/zinc/56/00/77/1131560077.db2.gz BHQKHSIQVWOQHE-UHFFFAOYSA-N 1 2 277.371 3.677 20 30 CHEDLO CCCCCCCC[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139439998 1131608894 /nfs/dbraw/zinc/60/88/94/1131608894.db2.gz FBVVUQCBAPWXNG-UHFFFAOYSA-N 1 2 284.835 3.505 20 30 CHEDLO CCCCCCCC[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139439998 1131608895 /nfs/dbraw/zinc/60/88/95/1131608895.db2.gz FBVVUQCBAPWXNG-UHFFFAOYSA-N 1 2 284.835 3.505 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc2ccccc2n1C ZINC001139870051 1131644455 /nfs/dbraw/zinc/64/44/55/1131644455.db2.gz CPRJPMLQLYZRRZ-UHFFFAOYSA-N 1 2 269.392 3.694 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc2ccccc2n1C ZINC001139870051 1131644457 /nfs/dbraw/zinc/64/44/57/1131644457.db2.gz CPRJPMLQLYZRRZ-UHFFFAOYSA-N 1 2 269.392 3.694 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171195331 1131646909 /nfs/dbraw/zinc/64/69/09/1131646909.db2.gz RMAUZSGGORFXPH-ZDUSSCGKSA-N 1 2 268.335 3.776 20 30 CHEDLO C#Cc1ccc(C[N@H+]2Cc3ccc(Cl)cc3C2)cc1 ZINC001144579047 1131661278 /nfs/dbraw/zinc/66/12/78/1131661278.db2.gz WUHRHLWGDRFRCK-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C#Cc1ccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)cc1 ZINC001144579047 1131661280 /nfs/dbraw/zinc/66/12/80/1131661280.db2.gz WUHRHLWGDRFRCK-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C=CC[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000845914551 1131668327 /nfs/dbraw/zinc/66/83/27/1131668327.db2.gz ZMYLREYQNUFQMJ-NVXWUHKLSA-N 1 2 286.419 3.680 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144727120 1131692043 /nfs/dbraw/zinc/69/20/43/1131692043.db2.gz QZJNJIXTTVZDSL-SNVBAGLBSA-N 1 2 284.737 3.744 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144727120 1131692046 /nfs/dbraw/zinc/69/20/46/1131692046.db2.gz QZJNJIXTTVZDSL-SNVBAGLBSA-N 1 2 284.737 3.744 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1nc(Cl)ccc1C ZINC001140448132 1131741919 /nfs/dbraw/zinc/74/19/19/1131741919.db2.gz TVMYHMWEQYWSEX-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1nc(Cl)ccc1C ZINC001140448132 1131741924 /nfs/dbraw/zinc/74/19/24/1131741924.db2.gz TVMYHMWEQYWSEX-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(Cl)c1 ZINC001140538163 1131784347 /nfs/dbraw/zinc/78/43/47/1131784347.db2.gz HZRORJAXTBEARD-UHFFFAOYSA-N 1 2 268.763 3.995 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(Cl)c1 ZINC001140538163 1131784354 /nfs/dbraw/zinc/78/43/54/1131784354.db2.gz HZRORJAXTBEARD-UHFFFAOYSA-N 1 2 268.763 3.995 20 30 CHEDLO N#Cc1ncc(Nc2ccc([NH+]3CCCCC3)cc2)cc1F ZINC001203056737 1131855442 /nfs/dbraw/zinc/85/54/42/1131855442.db2.gz UPVQUCVFKWXFIJ-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001141103879 1132018655 /nfs/dbraw/zinc/01/86/55/1132018655.db2.gz LCGBZDRJRPUUFM-OAHLLOKOSA-N 1 2 256.393 3.720 20 30 CHEDLO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001141103879 1132018663 /nfs/dbraw/zinc/01/86/63/1132018663.db2.gz LCGBZDRJRPUUFM-OAHLLOKOSA-N 1 2 256.393 3.720 20 30 CHEDLO Cc1ccc(C[N@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001141195063 1132041001 /nfs/dbraw/zinc/04/10/01/1132041001.db2.gz YXBZDPOKIBVVKO-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO Cc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001141195063 1132041009 /nfs/dbraw/zinc/04/10/09/1132041009.db2.gz YXBZDPOKIBVVKO-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO Cc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@H]2C#N)cc1 ZINC001171678014 1132075587 /nfs/dbraw/zinc/07/55/87/1132075587.db2.gz AKLHRZOKDPCXDS-RDJZCZTQSA-N 1 2 256.393 3.694 20 30 CHEDLO Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@H]2C#N)cc1 ZINC001171678014 1132075594 /nfs/dbraw/zinc/07/55/94/1132075594.db2.gz AKLHRZOKDPCXDS-RDJZCZTQSA-N 1 2 256.393 3.694 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1F ZINC001171848104 1132107220 /nfs/dbraw/zinc/10/72/20/1132107220.db2.gz YUQTUSZPFGKJTG-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1F ZINC001171848104 1132107224 /nfs/dbraw/zinc/10/72/24/1132107224.db2.gz YUQTUSZPFGKJTG-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO C=CC[C@@H](CCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922106 1132229094 /nfs/dbraw/zinc/22/90/94/1132229094.db2.gz YXQNPHUSNILTHK-HNNXBMFYSA-N 1 2 273.376 3.881 20 30 CHEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550347 1132264255 /nfs/dbraw/zinc/26/42/55/1132264255.db2.gz FRZIPOPCHSROIW-IKGGRYGDSA-N 1 2 256.393 3.851 20 30 CHEDLO Cc1cccc(C[N@H+](CCC#N)Cc2ccccc2)c1O ZINC001231591001 1132316662 /nfs/dbraw/zinc/31/66/62/1132316662.db2.gz NZYXZQRJQINXHA-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO Cc1cccc(C[N@@H+](CCC#N)Cc2ccccc2)c1O ZINC001231591001 1132316669 /nfs/dbraw/zinc/31/66/69/1132316669.db2.gz NZYXZQRJQINXHA-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO CCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232676667 1132505537 /nfs/dbraw/zinc/50/55/37/1132505537.db2.gz PPQFYRAHCUYAJP-UHFFFAOYSA-N 1 2 280.371 3.676 20 30 CHEDLO CCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232676667 1132505543 /nfs/dbraw/zinc/50/55/43/1132505543.db2.gz PPQFYRAHCUYAJP-UHFFFAOYSA-N 1 2 280.371 3.676 20 30 CHEDLO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677682 1132506686 /nfs/dbraw/zinc/50/66/86/1132506686.db2.gz GTPATEPUAWPXIY-KRWDZBQOSA-N 1 2 280.371 3.847 20 30 CHEDLO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677682 1132506693 /nfs/dbraw/zinc/50/66/93/1132506693.db2.gz GTPATEPUAWPXIY-KRWDZBQOSA-N 1 2 280.371 3.847 20 30 CHEDLO Cc1cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)ncc1F ZINC001155850049 1132666265 /nfs/dbraw/zinc/66/62/65/1132666265.db2.gz AHMSORJJRPWCAT-UHFFFAOYSA-N 1 2 297.255 3.585 20 30 CHEDLO Cc1ccc(Nc2cccc(C#CC(C)(C)O)c2)c(C)[nH+]1 ZINC001203376842 1132691411 /nfs/dbraw/zinc/69/14/11/1132691411.db2.gz UEUYJBBGWHBSIG-UHFFFAOYSA-N 1 2 280.371 3.564 20 30 CHEDLO C#Cc1cc(Nc2ccc3cc(OCC)ccc3c2)cc[nH+]1 ZINC001174106827 1132722518 /nfs/dbraw/zinc/72/25/18/1132722518.db2.gz AMFPLRQPACKZMV-UHFFFAOYSA-N 1 2 288.350 3.780 20 30 CHEDLO Cc1noc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1C#N ZINC001174380688 1132828928 /nfs/dbraw/zinc/82/89/28/1132828928.db2.gz JSJYCUGEKKUUDE-UHFFFAOYSA-N 1 2 281.319 3.529 20 30 CHEDLO C#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174523874 1132912660 /nfs/dbraw/zinc/91/26/60/1132912660.db2.gz WMPTXALTAZVJHS-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO Cc1ccccc1CC1(CNc2cc(CC#N)cc[nH+]2)CC1 ZINC001161610172 1133008030 /nfs/dbraw/zinc/00/80/30/1133008030.db2.gz PBTHZMRORBMXMH-UHFFFAOYSA-N 1 2 291.398 3.891 20 30 CHEDLO Cc1c[nH+]c(NCC(C)(C)CC(F)(F)F)c(/C=N/O)c1 ZINC001162249752 1133064152 /nfs/dbraw/zinc/06/41/52/1133064152.db2.gz TVXVIXHVLVWWHX-KPSZGOFPSA-N 1 2 289.301 3.589 20 30 CHEDLO C=C[C@H]1CCCCN1c1cc(C)[nH+]c(C2CCC2)n1 ZINC001163191167 1133134812 /nfs/dbraw/zinc/13/48/12/1133134812.db2.gz IYSOJAZZCFDLHN-AWEZNQCLSA-N 1 2 257.381 3.597 20 30 CHEDLO C#CCNc1cc(-c2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC001163363111 1133144832 /nfs/dbraw/zinc/14/48/32/1133144832.db2.gz GHIXVMVIIDOUIB-UHFFFAOYSA-N 1 2 292.260 3.692 20 30 CHEDLO C=CCOCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001163740136 1133170423 /nfs/dbraw/zinc/17/04/23/1133170423.db2.gz RABAQYSEPBGIJN-UHFFFAOYSA-N 1 2 277.412 3.728 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CCC[C@H](C(F)F)C3)c2c1 ZINC001166773989 1133286134 /nfs/dbraw/zinc/28/61/34/1133286134.db2.gz WVYRZXXODSCYBU-ZDUSSCGKSA-N 1 2 287.313 3.588 20 30 CHEDLO CNc1ccc(Nc2ccc(C#N)c(Cl)c2C)c[nH+]1 ZINC001203459355 1133330763 /nfs/dbraw/zinc/33/07/63/1133330763.db2.gz LGTFQPKYYOFMBX-UHFFFAOYSA-N 1 2 272.739 3.700 20 30 CHEDLO CCCn1c[nH+]cc1CNc1ccc(C2CC2)c(C#N)c1 ZINC001203484684 1133332412 /nfs/dbraw/zinc/33/24/12/1133332412.db2.gz AWYNMYFCSXMNSI-UHFFFAOYSA-N 1 2 280.375 3.654 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(Cl)cc(C#N)c2)c1 ZINC001203663223 1133349603 /nfs/dbraw/zinc/34/96/03/1133349603.db2.gz FBUFBPKBSXIDML-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc2ccccc2n1 ZINC001204504426 1133455102 /nfs/dbraw/zinc/45/51/02/1133455102.db2.gz NWCZJJZGSHGTIM-UHFFFAOYSA-N 1 2 267.376 3.751 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc2ccccc2n1 ZINC001204504426 1133455104 /nfs/dbraw/zinc/45/51/04/1133455104.db2.gz NWCZJJZGSHGTIM-UHFFFAOYSA-N 1 2 267.376 3.751 20 30 CHEDLO C=CCC[C@@H]([NH2+][C@H](C)CCc1ccsc1)C(=O)OCC ZINC001205842370 1133621562 /nfs/dbraw/zinc/62/15/62/1133621562.db2.gz YQOSAXCLZQHEJG-UKRRQHHQSA-N 1 2 295.448 3.557 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC001206377329 1133696171 /nfs/dbraw/zinc/69/61/71/1133696171.db2.gz VGCZFURLFMCYDZ-CYBMUJFWSA-N 1 2 293.345 3.762 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC001206377329 1133696174 /nfs/dbraw/zinc/69/61/74/1133696174.db2.gz VGCZFURLFMCYDZ-CYBMUJFWSA-N 1 2 293.345 3.762 20 30 CHEDLO N#CCC[N@@H+](CCCc1cccc(F)c1)Cc1cccnc1 ZINC001207599496 1133826720 /nfs/dbraw/zinc/82/67/20/1133826720.db2.gz RFXIJJOMFFNNST-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO N#CCC[N@H+](CCCc1cccc(F)c1)Cc1cccnc1 ZINC001207599496 1133826727 /nfs/dbraw/zinc/82/67/27/1133826727.db2.gz RFXIJJOMFFNNST-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001208178561 1133898139 /nfs/dbraw/zinc/89/81/39/1133898139.db2.gz RFYORJHLEAEHCZ-MJGOQNOKSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001208178561 1133898147 /nfs/dbraw/zinc/89/81/47/1133898147.db2.gz RFYORJHLEAEHCZ-MJGOQNOKSA-N 1 2 298.430 3.758 20 30 CHEDLO C[C@@H](C[NH+]1CC(C)(C#N)C1)c1cccc2ccccc21 ZINC001208707351 1133933148 /nfs/dbraw/zinc/93/31/48/1133933148.db2.gz RSOYWDMSODNFHA-AWEZNQCLSA-N 1 2 264.372 3.789 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccc(C#N)cc2OC)cc1 ZINC001209461970 1134026177 /nfs/dbraw/zinc/02/61/77/1134026177.db2.gz NMCBKPIHJLKEEO-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccc(C#N)cc2OC)cc1 ZINC001209461970 1134026181 /nfs/dbraw/zinc/02/61/81/1134026181.db2.gz NMCBKPIHJLKEEO-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO N#Cc1ncccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC001210143139 1134155976 /nfs/dbraw/zinc/15/59/76/1134155976.db2.gz QVMGXKMFTZJRHY-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C#N)cc1C ZINC001210376112 1134203411 /nfs/dbraw/zinc/20/34/11/1134203411.db2.gz LVIKKBQEGBBNGY-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO Cc1cn2c(cccc2Nc2cc(Cl)cc(C#N)c2)[nH+]1 ZINC001210536567 1134241722 /nfs/dbraw/zinc/24/17/22/1134241722.db2.gz SLUPXUMPHGSILT-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO Cc1ccc(Nc2cc(C(F)(F)F)c(C#N)cc2N)[nH+]c1 ZINC001211013467 1134348574 /nfs/dbraw/zinc/34/85/74/1134348574.db2.gz ZKLCZJLAIDFABV-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO C=C1CC(C)(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001211435150 1134416272 /nfs/dbraw/zinc/41/62/72/1134416272.db2.gz ZLYIEAPEQCHWAU-UHFFFAOYSA-N 1 2 292.342 3.530 20 30 CHEDLO N#Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1F ZINC001213088829 1134424930 /nfs/dbraw/zinc/42/49/30/1134424930.db2.gz GKBKKQBICGHLPG-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C#N)c1 ZINC001213091645 1134425943 /nfs/dbraw/zinc/42/59/43/1134425943.db2.gz CTOOWGSOPLVXQZ-UHFFFAOYSA-N 1 2 285.310 3.564 20 30 CHEDLO N#Cc1ccc(Nc2cccc(C3CCC3)[nH+]2)c(N)c1 ZINC001213353945 1134443040 /nfs/dbraw/zinc/44/30/40/1134443040.db2.gz QKIRCCMFBUNOPG-UHFFFAOYSA-N 1 2 264.332 3.547 20 30 CHEDLO N#Cc1ccc(F)c(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001214598224 1134554941 /nfs/dbraw/zinc/55/49/41/1134554941.db2.gz FNMKRTCSYBRWRI-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1C#N ZINC001216074741 1134767727 /nfs/dbraw/zinc/76/77/27/1134767727.db2.gz SZJLGONFUAFUEM-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001216173376 1134794848 /nfs/dbraw/zinc/79/48/48/1134794848.db2.gz UBQSUDSWIRDBDX-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1c(C#N)cccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001216176239 1134795962 /nfs/dbraw/zinc/79/59/62/1134795962.db2.gz GTWVFHHIZCZBHJ-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001216177224 1134796928 /nfs/dbraw/zinc/79/69/28/1134796928.db2.gz FUIFNOKKAPCONO-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219557233 1135136082 /nfs/dbraw/zinc/13/60/82/1135136082.db2.gz UHYYUHFVJAQIAB-ZFWWWQNUSA-N 1 2 298.390 3.591 20 30 CHEDLO C[Si](C)(C)C#C[C@@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC001222135143 1135198956 /nfs/dbraw/zinc/19/89/56/1135198956.db2.gz WKULZXDNSVORJH-QGZVFWFLSA-N 1 2 298.462 3.522 20 30 CHEDLO Cn1c[nH+]cc1CO[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001222594972 1135253845 /nfs/dbraw/zinc/25/38/45/1135253845.db2.gz KKZXJIHUHBZQII-KRWDZBQOSA-N 1 2 298.462 3.559 20 30 CHEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1ccc2ccccc2c1 ZINC000356049493 530021661 /nfs/dbraw/zinc/02/16/61/530021661.db2.gz DLVJHQIUMBVSOK-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1ccc2ccccc2c1 ZINC000356049493 530021662 /nfs/dbraw/zinc/02/16/62/530021662.db2.gz DLVJHQIUMBVSOK-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1c(F)cccc1Cl ZINC000352798633 533468998 /nfs/dbraw/zinc/46/89/98/533468998.db2.gz NDZHHDKCACLGHX-MRVPVSSYSA-N 1 2 295.770 3.658 20 30 CHEDLO C=CCOc1ccccc1CNc1ccc([NH+](C)C)cc1 ZINC000006314130 170190593 /nfs/dbraw/zinc/19/05/93/170190593.db2.gz PETHJLQPHHSXDF-UHFFFAOYSA-N 1 2 282.387 3.930 20 30 CHEDLO N#CC1(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000343585269 224804668 /nfs/dbraw/zinc/80/46/68/224804668.db2.gz WVSZFKIRUJRNSV-GFCCVEGCSA-N 1 2 268.282 3.573 20 30 CHEDLO C[C@H](c1ccccc1)[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356083144 228114081 /nfs/dbraw/zinc/11/40/81/228114081.db2.gz JGQMCGBDSDZUMK-GFCCVEGCSA-N 1 2 283.400 3.740 20 30 CHEDLO C[C@H](c1ccccc1)[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356083144 228114082 /nfs/dbraw/zinc/11/40/82/228114082.db2.gz JGQMCGBDSDZUMK-GFCCVEGCSA-N 1 2 283.400 3.740 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000298855109 260164837 /nfs/dbraw/zinc/16/48/37/260164837.db2.gz DTGGAYWUZBYGAG-CYBMUJFWSA-N 1 2 283.375 3.696 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000298855109 260164838 /nfs/dbraw/zinc/16/48/38/260164838.db2.gz DTGGAYWUZBYGAG-CYBMUJFWSA-N 1 2 283.375 3.696 20 30 CHEDLO N#Cc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000078592009 260168443 /nfs/dbraw/zinc/16/84/43/260168443.db2.gz VRSIVDTWVVXIGE-UHFFFAOYSA-N 1 2 277.249 3.584 20 30 CHEDLO C=CCN(Cc1[nH+]ccn1C(C)C)Cc1ccc(OC)cc1 ZINC000107299341 260286492 /nfs/dbraw/zinc/28/64/92/260286492.db2.gz JYGRFCBKFVOXOE-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C=CC[N@H+](Cc1nccn1C(C)C)Cc1ccc(OC)cc1 ZINC000107299341 260286493 /nfs/dbraw/zinc/28/64/93/260286493.db2.gz JYGRFCBKFVOXOE-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C=CC[N@@H+](Cc1nccn1C(C)C)Cc1ccc(OC)cc1 ZINC000107299341 260286494 /nfs/dbraw/zinc/28/64/94/260286494.db2.gz JYGRFCBKFVOXOE-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO N#Cc1csc(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000093686133 260301446 /nfs/dbraw/zinc/30/14/46/260301446.db2.gz KVBLUPSHUBMDLE-UHFFFAOYSA-N 1 2 298.415 3.617 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1-c1ccccc1 ZINC000448335737 261117734 /nfs/dbraw/zinc/11/77/34/261117734.db2.gz VTUYTQBBVFKBJU-UHFFFAOYSA-N 1 2 296.418 3.634 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1-c1ccccc1 ZINC000448335737 261117735 /nfs/dbraw/zinc/11/77/35/261117735.db2.gz VTUYTQBBVFKBJU-UHFFFAOYSA-N 1 2 296.418 3.634 20 30 CHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162270575 261274752 /nfs/dbraw/zinc/27/47/52/261274752.db2.gz WQLFRZDKJCXRNS-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(C)cs1 ZINC000162537990 261285123 /nfs/dbraw/zinc/28/51/23/261285123.db2.gz YEXVFUPBLFXPFH-CQSZACIVSA-N 1 2 289.379 3.703 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000184089361 262007925 /nfs/dbraw/zinc/00/79/25/262007925.db2.gz YHFTYTNZZJQPDB-HNNXBMFYSA-N 1 2 272.392 3.790 20 30 CHEDLO Cc1ccsc1CNc1[nH+]cccc1OCCCC#N ZINC000184289705 262015160 /nfs/dbraw/zinc/01/51/60/262015160.db2.gz GAKATOTUYUWXMY-UHFFFAOYSA-N 1 2 287.388 3.746 20 30 CHEDLO COc1cc(OC)c([NH2+][C@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000193072523 262215606 /nfs/dbraw/zinc/21/56/06/262215606.db2.gz PRPVCEGGSXQBRA-MNOVXSKESA-N 1 2 294.782 3.851 20 30 CHEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000193186266 262217950 /nfs/dbraw/zinc/21/79/50/262217950.db2.gz FQNUVPMTSAHRGU-OLZOCXBDSA-N 1 2 284.338 3.506 20 30 CHEDLO CC(C)(C)OCCCC[N@H+](CCC#N)Cc1ccco1 ZINC000354839672 262304945 /nfs/dbraw/zinc/30/49/45/262304945.db2.gz QGHSCNMAUDQKAD-UHFFFAOYSA-N 1 2 278.396 3.591 20 30 CHEDLO CC(C)(C)OCCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000354839672 262304947 /nfs/dbraw/zinc/30/49/47/262304947.db2.gz QGHSCNMAUDQKAD-UHFFFAOYSA-N 1 2 278.396 3.591 20 30 CHEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000336834223 262399588 /nfs/dbraw/zinc/39/95/88/262399588.db2.gz FPAYAFDUCXSMTQ-SJORKVTESA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000336834223 262399589 /nfs/dbraw/zinc/39/95/89/262399589.db2.gz FPAYAFDUCXSMTQ-SJORKVTESA-N 1 2 297.427 3.723 20 30 CHEDLO CCCCCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276594765 263037477 /nfs/dbraw/zinc/03/74/77/263037477.db2.gz KUDCQWHGYKEKSD-AWEZNQCLSA-N 1 2 265.401 3.584 20 30 CHEDLO N#CC1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000277728242 263043083 /nfs/dbraw/zinc/04/30/83/263043083.db2.gz NVXIAJWDMNCSOI-UHFFFAOYSA-N 1 2 289.448 3.926 20 30 CHEDLO Cc1ccc2c(c1)CCC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000281916823 263072892 /nfs/dbraw/zinc/07/28/92/263072892.db2.gz GWKYLEVLMVZAFA-UHFFFAOYSA-N 1 2 298.430 3.848 20 30 CHEDLO Cc1ccc2c(c1)CCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000281916823 263072893 /nfs/dbraw/zinc/07/28/93/263072893.db2.gz GWKYLEVLMVZAFA-UHFFFAOYSA-N 1 2 298.430 3.848 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000284416041 263086773 /nfs/dbraw/zinc/08/67/73/263086773.db2.gz QWWLEDUEATYYHG-SECBINFHSA-N 1 2 290.260 3.506 20 30 CHEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000285125187 263090364 /nfs/dbraw/zinc/09/03/64/263090364.db2.gz VUYVCBKFHAPWOM-QGZVFWFLSA-N 1 2 298.390 3.739 20 30 CHEDLO CC1=C[C@H](C)C[C@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486192 263117139 /nfs/dbraw/zinc/11/71/39/263117139.db2.gz RGEZADGYOFHBFM-RDJZCZTQSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=C[C@H](C)C[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486192 263117140 /nfs/dbraw/zinc/11/71/40/263117140.db2.gz RGEZADGYOFHBFM-RDJZCZTQSA-N 1 2 283.419 3.790 20 30 CHEDLO CC(C)(CCC#N)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293930168 263152770 /nfs/dbraw/zinc/15/27/70/263152770.db2.gz HHKWWNDBUGVQIB-UHFFFAOYSA-N 1 2 294.402 3.518 20 30 CHEDLO CC(C)(CCC#N)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293930168 263152771 /nfs/dbraw/zinc/15/27/71/263152771.db2.gz HHKWWNDBUGVQIB-UHFFFAOYSA-N 1 2 294.402 3.518 20 30 CHEDLO C=C(C)CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000044172498 263298398 /nfs/dbraw/zinc/29/83/98/263298398.db2.gz NIBOFIYNHMXWDO-ZDUSSCGKSA-N 1 2 296.484 3.759 20 30 CHEDLO Cc1cc[nH+]c(C)c1NC(=O)c1csc(CC(C)C)n1 ZINC000331246802 264179741 /nfs/dbraw/zinc/17/97/41/264179741.db2.gz UXEYNZPGXVOFIQ-UHFFFAOYSA-N 1 2 289.404 3.990 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000072591962 264269059 /nfs/dbraw/zinc/26/90/59/264269059.db2.gz DYFACEANBXAWJE-UHFFFAOYSA-N 1 2 289.766 3.564 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cnoc1C)c1ccc(F)c(F)c1 ZINC000189590101 264310917 /nfs/dbraw/zinc/31/09/17/264310917.db2.gz WKMLXMQTPPRQJC-OAHLLOKOSA-N 1 2 278.302 3.668 20 30 CHEDLO C[C@@H]1CCC[C@@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356987370 266225195 /nfs/dbraw/zinc/22/51/95/266225195.db2.gz PYQIOISVSGBWEU-HUUCEWRRSA-N 1 2 260.381 3.822 20 30 CHEDLO C[C@@H]1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356987370 266225199 /nfs/dbraw/zinc/22/51/99/266225199.db2.gz PYQIOISVSGBWEU-HUUCEWRRSA-N 1 2 260.381 3.822 20 30 CHEDLO CSc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000123392467 268041289 /nfs/dbraw/zinc/04/12/89/268041289.db2.gz WUSLJMXTLFIQNK-UHFFFAOYSA-N 1 2 294.383 3.540 20 30 CHEDLO N#CC1(C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000538350192 328038111 /nfs/dbraw/zinc/03/81/11/328038111.db2.gz DUSYVWGOHPIDAP-UHFFFAOYSA-N 1 2 262.356 3.669 20 30 CHEDLO N#CCCC1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000335379196 328580566 /nfs/dbraw/zinc/58/05/66/328580566.db2.gz KMQAOWUKAYVRLW-UHFFFAOYSA-N 1 2 283.350 3.894 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2Cl)CCC1 ZINC000258938168 326879871 /nfs/dbraw/zinc/87/98/71/326879871.db2.gz PHZCPYAZDHUJLY-UHFFFAOYSA-N 1 2 269.175 3.777 20 30 CHEDLO C=CCCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000530756430 326889823 /nfs/dbraw/zinc/88/98/23/326889823.db2.gz HUJISFRYXGJNNZ-UHFFFAOYSA-N 1 2 252.770 3.797 20 30 CHEDLO CC(C)c1cc(NCC(C)(C)CCC#N)nc(C(C)C)[nH+]1 ZINC000558044839 327048092 /nfs/dbraw/zinc/04/80/92/327048092.db2.gz UTQCHAJHSQWYOA-UHFFFAOYSA-N 1 2 288.439 3.887 20 30 CHEDLO C=CC[N@@H+](Cc1c(C)nsc1C)Cc1cccc(C#N)c1 ZINC000559636538 327255893 /nfs/dbraw/zinc/25/58/93/327255893.db2.gz CUGHCQWICMUIIZ-UHFFFAOYSA-N 1 2 297.427 3.820 20 30 CHEDLO C=CC[N@H+](Cc1c(C)nsc1C)Cc1cccc(C#N)c1 ZINC000559636538 327255895 /nfs/dbraw/zinc/25/58/95/327255895.db2.gz CUGHCQWICMUIIZ-UHFFFAOYSA-N 1 2 297.427 3.820 20 30 CHEDLO CCc1cccc(Cl)c1C[N@H+](C)CC(C)(C)C#N ZINC000560569822 327326082 /nfs/dbraw/zinc/32/60/82/327326082.db2.gz SUJXIPKPWAREJA-UHFFFAOYSA-N 1 2 264.800 3.884 20 30 CHEDLO CCc1cccc(Cl)c1C[N@@H+](C)CC(C)(C)C#N ZINC000560569822 327326084 /nfs/dbraw/zinc/32/60/84/327326084.db2.gz SUJXIPKPWAREJA-UHFFFAOYSA-N 1 2 264.800 3.884 20 30 CHEDLO Cc1ccc(NCc2cccc(OCCCC#N)c2)c(C)[nH+]1 ZINC000119076725 328947829 /nfs/dbraw/zinc/94/78/29/328947829.db2.gz PGJBOPFEJNYFFJ-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO N#CCCCC[N@@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000171034216 329074207 /nfs/dbraw/zinc/07/42/07/329074207.db2.gz HWAUMGMGBOILCM-UHFFFAOYSA-N 1 2 280.318 3.734 20 30 CHEDLO N#CCCCC[N@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000171034216 329074209 /nfs/dbraw/zinc/07/42/09/329074209.db2.gz HWAUMGMGBOILCM-UHFFFAOYSA-N 1 2 280.318 3.734 20 30 CHEDLO C=CC[N@H+](Cc1ccn(C(C)C)n1)Cc1ccc(OC)cc1 ZINC000172012464 329083164 /nfs/dbraw/zinc/08/31/64/329083164.db2.gz OYKDYUAHPQAOFM-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C=CC[N@@H+](Cc1ccn(C(C)C)n1)Cc1ccc(OC)cc1 ZINC000172012464 329083165 /nfs/dbraw/zinc/08/31/65/329083165.db2.gz OYKDYUAHPQAOFM-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000177366239 329183472 /nfs/dbraw/zinc/18/34/72/329183472.db2.gz VDIJISOCSQCGRE-MRXNPFEDSA-N 1 2 294.398 4.000 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000177366239 329183473 /nfs/dbraw/zinc/18/34/73/329183473.db2.gz VDIJISOCSQCGRE-MRXNPFEDSA-N 1 2 294.398 4.000 20 30 CHEDLO COc1ccc([C@@H]([NH2+]CCC#N)c2ccc(C)cc2)cc1 ZINC000582959955 329290079 /nfs/dbraw/zinc/29/00/79/329290079.db2.gz VAOUBEJYSCZPRU-SFHVURJKSA-N 1 2 280.371 3.596 20 30 CHEDLO C#CC[C@H]([NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000271549190 330081354 /nfs/dbraw/zinc/08/13/54/330081354.db2.gz RWIYIPVWEYDNSL-OCCSQVGLSA-N 1 2 256.374 3.558 20 30 CHEDLO C#CC[C@@H]([NH2+][C@H](C)c1cscn1)c1ccccc1 ZINC000271549191 330081399 /nfs/dbraw/zinc/08/13/99/330081399.db2.gz RWIYIPVWEYDNSL-TZMCWYRMSA-N 1 2 256.374 3.558 20 30 CHEDLO CC(C)c1nc(N(C)[C@@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC000425283749 330141696 /nfs/dbraw/zinc/14/16/96/330141696.db2.gz POEMHTCGSNWGGL-ZDUSSCGKSA-N 1 2 280.375 3.669 20 30 CHEDLO C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)c1ccc(C#N)cc1F ZINC000424325032 330341212 /nfs/dbraw/zinc/34/12/12/330341212.db2.gz NFSOJHGUKTVGOD-IGNZVWTISA-N 1 2 298.336 3.985 20 30 CHEDLO C[C@H](C#N)C[N@H+](CCc1c(F)cccc1Cl)C1CC1 ZINC000533138674 330350397 /nfs/dbraw/zinc/35/03/97/330350397.db2.gz PYPRYJMANXNWTR-LLVKDONJSA-N 1 2 280.774 3.646 20 30 CHEDLO C[C@H](C#N)C[N@@H+](CCc1c(F)cccc1Cl)C1CC1 ZINC000533138674 330350398 /nfs/dbraw/zinc/35/03/98/330350398.db2.gz PYPRYJMANXNWTR-LLVKDONJSA-N 1 2 280.774 3.646 20 30 CHEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000536894962 330362504 /nfs/dbraw/zinc/36/25/04/330362504.db2.gz XXVQGVFVGCBSNB-HNNXBMFYSA-N 1 2 265.784 3.680 20 30 CHEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000536894962 330362505 /nfs/dbraw/zinc/36/25/05/330362505.db2.gz XXVQGVFVGCBSNB-HNNXBMFYSA-N 1 2 265.784 3.680 20 30 CHEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428397362 330522429 /nfs/dbraw/zinc/52/24/29/330522429.db2.gz BVIYMUMHFUJRKD-NORZTCDRSA-N 1 2 293.382 3.539 20 30 CHEDLO C(#Cc1ccccc1)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835844 331044149 /nfs/dbraw/zinc/04/41/49/331044149.db2.gz AMNKCSHRIFVFIV-SFHVURJKSA-N 1 2 277.367 3.858 20 30 CHEDLO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835844 331044150 /nfs/dbraw/zinc/04/41/50/331044150.db2.gz AMNKCSHRIFVFIV-SFHVURJKSA-N 1 2 277.367 3.858 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCC(F)(F)CC1 ZINC000459339926 331277022 /nfs/dbraw/zinc/27/70/22/331277022.db2.gz HXSLSYVFYDVUPQ-UHFFFAOYSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCC(F)(F)CC1 ZINC000459339926 331277023 /nfs/dbraw/zinc/27/70/23/331277023.db2.gz HXSLSYVFYDVUPQ-UHFFFAOYSA-N 1 2 293.361 3.623 20 30 CHEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000459669029 331293288 /nfs/dbraw/zinc/29/32/88/331293288.db2.gz REJRCBFVLZIORM-CYBMUJFWSA-N 1 2 298.361 3.865 20 30 CHEDLO CC#CCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000462323277 331319145 /nfs/dbraw/zinc/31/91/45/331319145.db2.gz HLGSDTOWDFOKPW-BBRMVZONSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000462323277 331319146 /nfs/dbraw/zinc/31/91/46/331319146.db2.gz HLGSDTOWDFOKPW-BBRMVZONSA-N 1 2 277.795 3.515 20 30 CHEDLO C=C[C@H]1CCCCN1c1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000486509527 331938970 /nfs/dbraw/zinc/93/89/70/331938970.db2.gz OYCZSLUCIRXROI-INIZCTEOSA-N 1 2 294.402 3.646 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489210947 332043479 /nfs/dbraw/zinc/04/34/79/332043479.db2.gz CKFIJWZQRJDGBQ-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489210947 332043480 /nfs/dbraw/zinc/04/34/80/332043480.db2.gz CKFIJWZQRJDGBQ-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000489465246 332054352 /nfs/dbraw/zinc/05/43/52/332054352.db2.gz SEWCFKRQHSGKTR-GFCCVEGCSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000489465246 332054354 /nfs/dbraw/zinc/05/43/54/332054354.db2.gz SEWCFKRQHSGKTR-GFCCVEGCSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000489514747 332057798 /nfs/dbraw/zinc/05/77/98/332057798.db2.gz QOJSDTABMFOMAU-MRXNPFEDSA-N 1 2 297.402 3.509 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000489514747 332057800 /nfs/dbraw/zinc/05/78/00/332057800.db2.gz QOJSDTABMFOMAU-MRXNPFEDSA-N 1 2 297.402 3.509 20 30 CHEDLO C#C[C@H]([NH2+]Cc1nc(CCC)cs1)c1ccc(F)cc1 ZINC000491278224 332179814 /nfs/dbraw/zinc/17/98/14/332179814.db2.gz SAOMRTBWKUPBQJ-HNNXBMFYSA-N 1 2 288.391 3.699 20 30 CHEDLO C#C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(Cl)cc1F ZINC000491768659 332336178 /nfs/dbraw/zinc/33/61/78/332336178.db2.gz ISVSHQUGBQJFHK-IAQYHMDHSA-N 1 2 288.753 3.899 20 30 CHEDLO C=C(C)CC[NH2+][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000512237106 332959450 /nfs/dbraw/zinc/95/94/50/332959450.db2.gz MRUVLAIULDBMPL-MRXNPFEDSA-N 1 2 295.810 3.674 20 30 CHEDLO C=C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000513447584 333019949 /nfs/dbraw/zinc/01/99/49/333019949.db2.gz ODTPSFVQTMYYHU-UHFFFAOYSA-N 1 2 273.273 3.997 20 30 CHEDLO C=C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000513472948 333021379 /nfs/dbraw/zinc/02/13/79/333021379.db2.gz OSUUOQHCWJRPEP-UHFFFAOYSA-N 1 2 270.401 3.962 20 30 CHEDLO C=C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000513467217 333021382 /nfs/dbraw/zinc/02/13/82/333021382.db2.gz SBRBDDUZQBEIJO-UHFFFAOYSA-N 1 2 284.172 3.740 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000513466817 333021435 /nfs/dbraw/zinc/02/14/35/333021435.db2.gz LDLAPTXFROCPLE-UHFFFAOYSA-N 1 2 284.172 3.740 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000513473397 333021658 /nfs/dbraw/zinc/02/16/58/333021658.db2.gz WYZJIMPMGPBYJL-UHFFFAOYSA-N 1 2 273.273 3.997 20 30 CHEDLO C=CCCCCCN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000523533462 333332378 /nfs/dbraw/zinc/33/23/78/333332378.db2.gz KNVGFMCAFKVKDN-UHFFFAOYSA-N 1 2 288.439 3.650 20 30 CHEDLO C=CCCCCCN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000523533462 333332379 /nfs/dbraw/zinc/33/23/79/333332379.db2.gz KNVGFMCAFKVKDN-UHFFFAOYSA-N 1 2 288.439 3.650 20 30 CHEDLO C=C(C)C[N@@H+]1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523893863 333349159 /nfs/dbraw/zinc/34/91/59/333349159.db2.gz AVRLSGKNIHPPFB-UHFFFAOYSA-N 1 2 256.176 3.928 20 30 CHEDLO C=C(C)C[N@H+]1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523893863 333349160 /nfs/dbraw/zinc/34/91/60/333349160.db2.gz AVRLSGKNIHPPFB-UHFFFAOYSA-N 1 2 256.176 3.928 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccccc1Oc1ccccc1 ZINC000133268639 334032074 /nfs/dbraw/zinc/03/20/74/334032074.db2.gz FUWIYSVFTWAIJA-UHFFFAOYSA-N 1 2 266.344 3.824 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccccc1Oc1ccccc1 ZINC000133268639 334032076 /nfs/dbraw/zinc/03/20/76/334032076.db2.gz FUWIYSVFTWAIJA-UHFFFAOYSA-N 1 2 266.344 3.824 20 30 CHEDLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cccc(C#N)c1 ZINC000134429413 334090316 /nfs/dbraw/zinc/09/03/16/334090316.db2.gz MZLUBTRWHSZVDI-UHFFFAOYSA-N 1 2 296.761 3.710 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000078003492 334120297 /nfs/dbraw/zinc/12/02/97/334120297.db2.gz ABYZSDCZENIJIU-UHFFFAOYSA-N 1 2 298.308 3.853 20 30 CHEDLO N#CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000078003492 334120298 /nfs/dbraw/zinc/12/02/98/334120298.db2.gz ABYZSDCZENIJIU-UHFFFAOYSA-N 1 2 298.308 3.853 20 30 CHEDLO C=C(C)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000550990663 334235549 /nfs/dbraw/zinc/23/55/49/334235549.db2.gz QCNPMKKCKIIFCT-UHFFFAOYSA-N 1 2 268.360 3.841 20 30 CHEDLO CC(C)(C#N)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000552936149 334351761 /nfs/dbraw/zinc/35/17/61/334351761.db2.gz POUAKIVETIIPFO-UHFFFAOYSA-N 1 2 256.393 3.633 20 30 CHEDLO COc1ccc2c(c1)[nH+]ccc2OCc1cccc(C#N)c1 ZINC000092315734 334407474 /nfs/dbraw/zinc/40/74/74/334407474.db2.gz SXOUBZZFOHFGAU-UHFFFAOYSA-N 1 2 290.322 3.694 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000565169696 334542132 /nfs/dbraw/zinc/54/21/32/334542132.db2.gz BJFJSFJTVPYRMB-JTQLQIEISA-N 1 2 297.280 3.628 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccccc2c(C)c1Cl ZINC000567404168 334713115 /nfs/dbraw/zinc/71/31/15/334713115.db2.gz ZOJCIVMYPUHYLY-GFCCVEGCSA-N 1 2 287.794 3.979 20 30 CHEDLO C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)c2[nH+]ccn21 ZINC000294040781 334893236 /nfs/dbraw/zinc/89/32/36/334893236.db2.gz IQGMECCYRITRHN-BBRMVZONSA-N 1 2 296.374 3.684 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(F)c1F ZINC000181992577 335793930 /nfs/dbraw/zinc/79/39/30/335793930.db2.gz WTJAYSINNUKITI-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO N#CCc1ccc(CSc2[nH+]cc3ccccn32)cc1 ZINC000544074719 518196361 /nfs/dbraw/zinc/19/63/61/518196361.db2.gz RPSNFTZNADCSJV-UHFFFAOYSA-N 1 2 279.368 3.693 20 30 CHEDLO C=CCN(Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000355065896 526351567 /nfs/dbraw/zinc/35/15/67/526351567.db2.gz WLEHOTVELQGZQK-UHFFFAOYSA-N 1 2 263.344 3.527 20 30 CHEDLO Cc1oc(C#N)cc1C(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293136465 526757866 /nfs/dbraw/zinc/75/78/66/526757866.db2.gz SNHKFIOPVSXPCE-UHFFFAOYSA-N 1 2 298.342 3.644 20 30 CHEDLO C=CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)Cc1cccs1 ZINC000347985874 527586046 /nfs/dbraw/zinc/58/60/46/527586046.db2.gz CKEUJFNRDDVDGQ-UHFFFAOYSA-N 1 2 288.416 3.564 20 30 CHEDLO C=CC[N@H+](CC(=O)c1cc(C)[nH]c1C)Cc1cccs1 ZINC000347985874 527586050 /nfs/dbraw/zinc/58/60/50/527586050.db2.gz CKEUJFNRDDVDGQ-UHFFFAOYSA-N 1 2 288.416 3.564 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cscc1Br ZINC000347659666 527643381 /nfs/dbraw/zinc/64/33/81/527643381.db2.gz ZEKQGJMZVSGPDV-UHFFFAOYSA-N 1 2 272.211 3.685 20 30 CHEDLO CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)O1 ZINC000330208067 529339950 /nfs/dbraw/zinc/33/99/50/529339950.db2.gz ASWKXXDSVCVTEO-IUODEOHRSA-N 1 2 299.374 3.931 20 30 CHEDLO CC[C@](C)(C#N)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000351958476 529352487 /nfs/dbraw/zinc/35/24/87/529352487.db2.gz KWSLIIZXKVRIDR-QGZVFWFLSA-N 1 2 295.342 3.752 20 30 CHEDLO Cc1ccc2cc(C[N@@H+](CCC#N)C(C)C)[nH]c2c1 ZINC000596988437 1120818063 /nfs/dbraw/zinc/81/80/63/1120818063.db2.gz XVPKFPPCYOPIGY-UHFFFAOYSA-N 1 2 255.365 3.600 20 30 CHEDLO Cc1ccc2cc(C[N@H+](CCC#N)C(C)C)[nH]c2c1 ZINC000596988437 1120818067 /nfs/dbraw/zinc/81/80/67/1120818067.db2.gz XVPKFPPCYOPIGY-UHFFFAOYSA-N 1 2 255.365 3.600 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000426551314 1122819889 /nfs/dbraw/zinc/81/98/89/1122819889.db2.gz YZGHTGFMYCNSRU-NSHDSACASA-N 1 2 255.283 3.644 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000426551314 1122819902 /nfs/dbraw/zinc/81/99/02/1122819902.db2.gz YZGHTGFMYCNSRU-NSHDSACASA-N 1 2 255.283 3.644 20 30 CHEDLO CSCCCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866335667 1124053669 /nfs/dbraw/zinc/05/36/69/1124053669.db2.gz KXNOYYSAISIODP-CYBMUJFWSA-N 1 2 292.448 3.838 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Cl)c(O)c1)C1CCCC1 ZINC001231737012 1132350482 /nfs/dbraw/zinc/35/04/82/1132350482.db2.gz JYTHQPDGHRYMOE-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1cc(Br)cnc1Cl ZINC000843404904 1132529272 /nfs/dbraw/zinc/52/92/72/1132529272.db2.gz IORZGVZOPJLTRI-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1cc(Br)cnc1Cl ZINC000843404904 1132529278 /nfs/dbraw/zinc/52/92/78/1132529278.db2.gz IORZGVZOPJLTRI-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204485838 1133454053 /nfs/dbraw/zinc/45/40/53/1133454053.db2.gz ZPKVWKFQOSLARY-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO CCCC[N@H+](CC#N)CCC(C)(C)c1ccccc1 ZINC001208668948 1133926094 /nfs/dbraw/zinc/92/60/94/1133926094.db2.gz DJXNQPYNYFARMZ-UHFFFAOYSA-N 1 2 258.409 3.980 20 30 CHEDLO Cc1ccc(SCC[N@@H+](C)[C@@H](C)CC#N)cc1C ZINC000161994132 1125719327 /nfs/dbraw/zinc/71/93/27/1125719327.db2.gz PYKPKKKMJGUTNR-AWEZNQCLSA-N 1 2 262.422 3.630 20 30 CHEDLO Cc1ccc(SCC[N@H+](C)[C@@H](C)CC#N)cc1C ZINC000161994132 1125719330 /nfs/dbraw/zinc/71/93/30/1125719330.db2.gz PYKPKKKMJGUTNR-AWEZNQCLSA-N 1 2 262.422 3.630 20 30 CHEDLO C=C(C)C[N@H+](C)Cn1cc(-c2ccccc2)oc1=S ZINC001118741964 1131235203 /nfs/dbraw/zinc/23/52/03/1131235203.db2.gz HZIJNILCLIPLHX-UHFFFAOYSA-N 1 2 274.389 3.943 20 30 CHEDLO C=C(C)C[N@@H+](C)Cn1cc(-c2ccccc2)oc1=S ZINC001118741964 1131235208 /nfs/dbraw/zinc/23/52/08/1131235208.db2.gz HZIJNILCLIPLHX-UHFFFAOYSA-N 1 2 274.389 3.943 20 30 CHEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(C)cc2)n1 ZINC000746457014 1129665039 /nfs/dbraw/zinc/66/50/39/1129665039.db2.gz UUAPJKPEJMVBIL-UHFFFAOYSA-N 1 2 270.401 3.574 20 30 CHEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(C)cc2)n1 ZINC000746457014 1129665044 /nfs/dbraw/zinc/66/50/44/1129665044.db2.gz UUAPJKPEJMVBIL-UHFFFAOYSA-N 1 2 270.401 3.574 20 30 CHEDLO C=C(Cl)C[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000768778298 1129874609 /nfs/dbraw/zinc/87/46/09/1129874609.db2.gz MNLFETMDBBGLFN-UHFFFAOYSA-N 1 2 277.795 3.927 20 30 CHEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000768778298 1129874612 /nfs/dbraw/zinc/87/46/12/1129874612.db2.gz MNLFETMDBBGLFN-UHFFFAOYSA-N 1 2 277.795 3.927 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785996900 1130072790 /nfs/dbraw/zinc/07/27/90/1130072790.db2.gz PJHXMTVYMUOGQC-GFCCVEGCSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785996900 1130072796 /nfs/dbraw/zinc/07/27/96/1130072796.db2.gz PJHXMTVYMUOGQC-GFCCVEGCSA-N 1 2 280.755 3.789 20 30 CHEDLO CO[C@@H](C[N@H+](C[C@@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287745 1126731607 /nfs/dbraw/zinc/73/16/07/1126731607.db2.gz QARVPLGWJMSJJS-LRDDRELGSA-N 1 2 292.810 3.652 20 30 CHEDLO CO[C@@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287745 1126731612 /nfs/dbraw/zinc/73/16/12/1126731612.db2.gz QARVPLGWJMSJJS-LRDDRELGSA-N 1 2 292.810 3.652 20 30 CHEDLO Fc1ccccc1C[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000483515748 1126790597 /nfs/dbraw/zinc/79/05/97/1126790597.db2.gz NTGVFHJLJDVEOQ-UHFFFAOYSA-N 1 2 279.358 3.842 20 30 CHEDLO Fc1ccccc1C[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000483515748 1126790601 /nfs/dbraw/zinc/79/06/01/1126790601.db2.gz NTGVFHJLJDVEOQ-UHFFFAOYSA-N 1 2 279.358 3.842 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc(F)c(F)c1 ZINC000186455449 1126907096 /nfs/dbraw/zinc/90/70/96/1126907096.db2.gz ROBHZRRAHWHAOB-BDJLRTHQSA-N 1 2 289.329 3.723 20 30 CHEDLO C[C@H](CC[N@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000193598349 1126970377 /nfs/dbraw/zinc/97/03/77/1126970377.db2.gz HTABKNWWNWZGRF-QGZVFWFLSA-N 1 2 293.414 3.991 20 30 CHEDLO C[C@H](CC[N@@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000193598349 1126970380 /nfs/dbraw/zinc/97/03/80/1126970380.db2.gz HTABKNWWNWZGRF-QGZVFWFLSA-N 1 2 293.414 3.991 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043416395 1126973623 /nfs/dbraw/zinc/97/36/23/1126973623.db2.gz IYUBZIRYQGERBU-UHFFFAOYSA-N 1 2 295.770 3.620 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043416395 1126973626 /nfs/dbraw/zinc/97/36/26/1126973626.db2.gz IYUBZIRYQGERBU-UHFFFAOYSA-N 1 2 295.770 3.620 20 30 CHEDLO Cc1cc(OCc2ccc(C#N)cc2)c2ccccc2[nH+]1 ZINC000486199885 1126974860 /nfs/dbraw/zinc/97/48/60/1126974860.db2.gz YBWIRZOMFGNSKN-UHFFFAOYSA-N 1 2 274.323 3.994 20 30 CHEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cscn1 ZINC000271567298 1127092925 /nfs/dbraw/zinc/09/29/25/1127092925.db2.gz XZXWLRJLFIYXNB-TZMCWYRMSA-N 1 2 271.389 3.839 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000348538724 1127121537 /nfs/dbraw/zinc/12/15/37/1127121537.db2.gz FTBATNMKIBEGPK-UHFFFAOYSA-N 1 2 289.382 3.961 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000348538724 1127121539 /nfs/dbraw/zinc/12/15/39/1127121539.db2.gz FTBATNMKIBEGPK-UHFFFAOYSA-N 1 2 289.382 3.961 20 30 CHEDLO NC(=[NH+]OCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000029465041 1127124195 /nfs/dbraw/zinc/12/41/95/1127124195.db2.gz RQOJHMCSAHRDQH-UHFFFAOYSA-N 1 2 295.169 3.831 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000151374669 1127133109 /nfs/dbraw/zinc/13/31/09/1127133109.db2.gz RMTPXOIUTIQPCC-CMDGGOBGSA-N 1 2 276.339 3.847 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)o1 ZINC000151442605 1127135249 /nfs/dbraw/zinc/13/52/49/1127135249.db2.gz CTQSVSMFDBYHDW-FNORWQNLSA-N 1 2 280.327 3.694 20 30 CHEDLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000192987261 1127166305 /nfs/dbraw/zinc/16/63/05/1127166305.db2.gz VPHWMSMVNHKHMH-AWEZNQCLSA-N 1 2 292.386 3.727 20 30 CHEDLO CCc1nocc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000351759792 1127208678 /nfs/dbraw/zinc/20/86/78/1127208678.db2.gz LQQKMBZQRVCGSG-AEFFLSMTSA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1nocc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000351759792 1127208681 /nfs/dbraw/zinc/20/86/81/1127208681.db2.gz LQQKMBZQRVCGSG-AEFFLSMTSA-N 1 2 295.386 3.509 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000589173321 1127213422 /nfs/dbraw/zinc/21/34/22/1127213422.db2.gz XBMOSHLBYBPFLN-WPTTZPOMSA-N 1 2 276.330 3.604 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000589173321 1127213425 /nfs/dbraw/zinc/21/34/25/1127213425.db2.gz XBMOSHLBYBPFLN-WPTTZPOMSA-N 1 2 276.330 3.604 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166112 1127250082 /nfs/dbraw/zinc/25/00/82/1127250082.db2.gz PWUQHWWSYCTKBL-DGCLKSJQSA-N 1 2 299.805 3.872 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166112 1127250083 /nfs/dbraw/zinc/25/00/83/1127250083.db2.gz PWUQHWWSYCTKBL-DGCLKSJQSA-N 1 2 299.805 3.872 20 30 CHEDLO CCc1ccc2[nH+]ccc(N3CCC[C@@](C)(C#N)C3)c2c1 ZINC000590697175 1127268255 /nfs/dbraw/zinc/26/82/55/1127268255.db2.gz PAGLYERBUILUKF-SFHVURJKSA-N 1 2 279.387 3.927 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C#N)cc1 ZINC000057667936 1127271944 /nfs/dbraw/zinc/27/19/44/1127271944.db2.gz AAOXYTPXUCVOSE-UHFFFAOYSA-N 1 2 265.360 3.545 20 30 CHEDLO C=CCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000354103285 1127293230 /nfs/dbraw/zinc/29/32/30/1127293230.db2.gz DRMZWSNHVOEUAQ-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccncc1C#N ZINC000592060152 1127332463 /nfs/dbraw/zinc/33/24/63/1127332463.db2.gz ADZYYFYJAUBFHB-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccncc1C#N ZINC000592060152 1127332466 /nfs/dbraw/zinc/33/24/66/1127332466.db2.gz ADZYYFYJAUBFHB-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592070772 1127335329 /nfs/dbraw/zinc/33/53/29/1127335329.db2.gz VYYMNKWCRSZMLV-SUMWQHHRSA-N 1 2 295.386 3.828 20 30 CHEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592070772 1127335332 /nfs/dbraw/zinc/33/53/32/1127335332.db2.gz VYYMNKWCRSZMLV-SUMWQHHRSA-N 1 2 295.386 3.828 20 30 CHEDLO N#Cc1cnccc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000592068566 1127335351 /nfs/dbraw/zinc/33/53/51/1127335351.db2.gz COKCELNGPYTJIQ-INIZCTEOSA-N 1 2 281.359 3.664 20 30 CHEDLO N#Cc1cnccc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000592068566 1127335353 /nfs/dbraw/zinc/33/53/53/1127335353.db2.gz COKCELNGPYTJIQ-INIZCTEOSA-N 1 2 281.359 3.664 20 30 CHEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)[C@H](c2ccco2)C1 ZINC000592071298 1127335366 /nfs/dbraw/zinc/33/53/66/1127335366.db2.gz DSTCYBQXGXFXOL-CJNGLKHVSA-N 1 2 281.359 3.519 20 30 CHEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H](c2ccco2)C1 ZINC000592071298 1127335370 /nfs/dbraw/zinc/33/53/70/1127335370.db2.gz DSTCYBQXGXFXOL-CJNGLKHVSA-N 1 2 281.359 3.519 20 30 CHEDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592124742 1127335757 /nfs/dbraw/zinc/33/57/57/1127335757.db2.gz GDIZZSHKYBKUPG-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592124742 1127335760 /nfs/dbraw/zinc/33/57/60/1127335760.db2.gz GDIZZSHKYBKUPG-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO NC(Cc1ccccc1Cl)=[NH+]OCc1cccc(F)c1 ZINC000058497937 1127353527 /nfs/dbraw/zinc/35/35/27/1127353527.db2.gz UGPAELMTOYJAJB-UHFFFAOYSA-N 1 2 292.741 3.511 20 30 CHEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)c1ccc(F)cc1 ZINC000356060856 1127373319 /nfs/dbraw/zinc/37/33/19/1127373319.db2.gz SIJIGKXTHVPEEQ-NSHDSACASA-N 1 2 289.379 3.737 20 30 CHEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)c1ccc(F)cc1 ZINC000356060856 1127373322 /nfs/dbraw/zinc/37/33/22/1127373322.db2.gz SIJIGKXTHVPEEQ-NSHDSACASA-N 1 2 289.379 3.737 20 30 CHEDLO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1F ZINC000594968479 1127441176 /nfs/dbraw/zinc/44/11/76/1127441176.db2.gz HHCSXUMEMVPLQE-OAHLLOKOSA-N 1 2 289.379 3.641 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000595844444 1127478004 /nfs/dbraw/zinc/47/80/04/1127478004.db2.gz SSKKBSDTSRKQSR-GWQWAINWSA-N 1 2 260.768 3.589 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000595844444 1127478005 /nfs/dbraw/zinc/47/80/05/1127478005.db2.gz SSKKBSDTSRKQSR-GWQWAINWSA-N 1 2 260.768 3.589 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@](C)(C#N)C1 ZINC000596532721 1127507373 /nfs/dbraw/zinc/50/73/73/1127507373.db2.gz XAFYEUAPIVAMLK-QGZVFWFLSA-N 1 2 265.360 3.592 20 30 CHEDLO Cc1ccc2cc(C[N@@H+](C[C@H](C)C#N)C3CC3)[nH]c2c1 ZINC000597025610 1127525470 /nfs/dbraw/zinc/52/54/70/1127525470.db2.gz GVFKRRKCDCQQST-CYBMUJFWSA-N 1 2 267.376 3.600 20 30 CHEDLO Cc1ccc2cc(C[N@H+](C[C@H](C)C#N)C3CC3)[nH]c2c1 ZINC000597025610 1127525472 /nfs/dbraw/zinc/52/54/72/1127525472.db2.gz GVFKRRKCDCQQST-CYBMUJFWSA-N 1 2 267.376 3.600 20 30 CHEDLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597175706 1127531542 /nfs/dbraw/zinc/53/15/42/1127531542.db2.gz DEFKCBSJTFXPRE-GFCCVEGCSA-N 1 2 277.437 3.566 20 30 CHEDLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597175706 1127531545 /nfs/dbraw/zinc/53/15/45/1127531545.db2.gz DEFKCBSJTFXPRE-GFCCVEGCSA-N 1 2 277.437 3.566 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000597230178 1127535807 /nfs/dbraw/zinc/53/58/07/1127535807.db2.gz QITUDSRHSKYPHB-SFHVURJKSA-N 1 2 284.403 3.744 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000597230178 1127535810 /nfs/dbraw/zinc/53/58/10/1127535810.db2.gz QITUDSRHSKYPHB-SFHVURJKSA-N 1 2 284.403 3.744 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000602005249 1127556550 /nfs/dbraw/zinc/55/65/50/1127556550.db2.gz PGBRVXKERFBTNJ-SMDDNHRTSA-N 1 2 284.334 3.704 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361500344 1127567912 /nfs/dbraw/zinc/56/79/12/1127567912.db2.gz CWYQFSMSBUSYED-UHFFFAOYSA-N 1 2 290.313 3.960 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361500344 1127567914 /nfs/dbraw/zinc/56/79/14/1127567914.db2.gz CWYQFSMSBUSYED-UHFFFAOYSA-N 1 2 290.313 3.960 20 30 CHEDLO CC(C)OCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000060803490 1127587679 /nfs/dbraw/zinc/58/76/79/1127587679.db2.gz DSZXWNLTLKKBAW-LDADJPATSA-N 1 2 271.360 3.779 20 30 CHEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC000361840281 1127593094 /nfs/dbraw/zinc/59/30/94/1127593094.db2.gz REMIVCLODWKERF-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC000361840281 1127593097 /nfs/dbraw/zinc/59/30/97/1127593097.db2.gz REMIVCLODWKERF-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccnc1 ZINC000602669603 1127603393 /nfs/dbraw/zinc/60/33/93/1127603393.db2.gz YYXGWQHUEHFJEY-CYBMUJFWSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccnc1 ZINC000602669603 1127603394 /nfs/dbraw/zinc/60/33/94/1127603394.db2.gz YYXGWQHUEHFJEY-CYBMUJFWSA-N 1 2 283.350 3.675 20 30 CHEDLO Cc1cc(C)c(C[N@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000602778670 1127613221 /nfs/dbraw/zinc/61/32/21/1127613221.db2.gz JWLYJFRNKHNIEG-UHFFFAOYSA-N 1 2 273.424 3.769 20 30 CHEDLO Cc1cc(C)c(C[N@@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000602778670 1127613225 /nfs/dbraw/zinc/61/32/25/1127613225.db2.gz JWLYJFRNKHNIEG-UHFFFAOYSA-N 1 2 273.424 3.769 20 30 CHEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104628 1127691064 /nfs/dbraw/zinc/69/10/64/1127691064.db2.gz UQZPPRVYWJTGEI-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104628 1127691066 /nfs/dbraw/zinc/69/10/66/1127691066.db2.gz UQZPPRVYWJTGEI-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO CC[N@@H+](Cc1cnc2ccc(C)cc2c1)C[C@H](C)C#N ZINC000411206893 1127846690 /nfs/dbraw/zinc/84/66/90/1127846690.db2.gz FFVGICIMYYQWEU-CQSZACIVSA-N 1 2 267.376 3.525 20 30 CHEDLO CC[N@H+](Cc1cnc2ccc(C)cc2c1)C[C@H](C)C#N ZINC000411206893 1127846693 /nfs/dbraw/zinc/84/66/93/1127846693.db2.gz FFVGICIMYYQWEU-CQSZACIVSA-N 1 2 267.376 3.525 20 30 CHEDLO FC(F)(F)C1=CC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000535283305 1127911880 /nfs/dbraw/zinc/91/18/80/1127911880.db2.gz JFOTUNVNJAJRMB-UHFFFAOYSA-N 1 2 299.723 3.886 20 30 CHEDLO FC(F)(F)C1=CC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000535283305 1127911885 /nfs/dbraw/zinc/91/18/85/1127911885.db2.gz JFOTUNVNJAJRMB-UHFFFAOYSA-N 1 2 299.723 3.886 20 30 CHEDLO CC[C@H](C[N@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000539826176 1127944211 /nfs/dbraw/zinc/94/42/11/1127944211.db2.gz BJRIVJPKLXMHHV-OAHLLOKOSA-N 1 2 256.393 3.948 20 30 CHEDLO CC[C@H](C[N@@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000539826176 1127944214 /nfs/dbraw/zinc/94/42/14/1127944214.db2.gz BJRIVJPKLXMHHV-OAHLLOKOSA-N 1 2 256.393 3.948 20 30 CHEDLO C=CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000467191149 1127958415 /nfs/dbraw/zinc/95/84/15/1127958415.db2.gz NHSIQTMMOFJQJW-CYBMUJFWSA-N 1 2 284.172 3.911 20 30 CHEDLO C=CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000467191149 1127958419 /nfs/dbraw/zinc/95/84/19/1127958419.db2.gz NHSIQTMMOFJQJW-CYBMUJFWSA-N 1 2 284.172 3.911 20 30 CHEDLO C[C@H](C#N)C[N@H+](C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000541770219 1128039082 /nfs/dbraw/zinc/03/90/82/1128039082.db2.gz DDPJYNJPNCCXBH-QAVQXKDTSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000541770219 1128039087 /nfs/dbraw/zinc/03/90/87/1128039087.db2.gz DDPJYNJPNCCXBH-QAVQXKDTSA-N 1 2 276.330 3.602 20 30 CHEDLO C#C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000491689911 1128075139 /nfs/dbraw/zinc/07/51/39/1128075139.db2.gz KXQZZSLXQJWRJO-SWLSCSKDSA-N 1 2 270.763 3.760 20 30 CHEDLO CCOc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC000597155766 1128126521 /nfs/dbraw/zinc/12/65/21/1128126521.db2.gz DEQWUYDHUDBMBQ-UHFFFAOYSA-N 1 2 292.382 3.781 20 30 CHEDLO CCOc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC000597155766 1128126522 /nfs/dbraw/zinc/12/65/22/1128126522.db2.gz DEQWUYDHUDBMBQ-UHFFFAOYSA-N 1 2 292.382 3.781 20 30 CHEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000925601001 1128133395 /nfs/dbraw/zinc/13/33/95/1128133395.db2.gz IYVNGIOZWGDYHT-HZPDHXFCSA-N 1 2 295.386 3.995 20 30 CHEDLO CC[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926560180 1128180647 /nfs/dbraw/zinc/18/06/47/1128180647.db2.gz YSEHWFLPOGHHHW-CQSZACIVSA-N 1 2 294.345 3.740 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000494626347 1128183836 /nfs/dbraw/zinc/18/38/36/1128183836.db2.gz PBEWGPSMNBDSJL-UHFFFAOYSA-N 1 2 272.417 3.990 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000494626347 1128183838 /nfs/dbraw/zinc/18/38/38/1128183838.db2.gz PBEWGPSMNBDSJL-UHFFFAOYSA-N 1 2 272.417 3.990 20 30 CHEDLO C=CCn1c2ccccc2n(C[N@@H+](CC)C2CC2)c1=S ZINC000914565973 1128210568 /nfs/dbraw/zinc/21/05/68/1128210568.db2.gz INKNGESTUZZRGA-UHFFFAOYSA-N 1 2 287.432 3.800 20 30 CHEDLO C=CCn1c2ccccc2n(C[N@H+](CC)C2CC2)c1=S ZINC000914565973 1128210570 /nfs/dbraw/zinc/21/05/70/1128210570.db2.gz INKNGESTUZZRGA-UHFFFAOYSA-N 1 2 287.432 3.800 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1scnc1C1CC1 ZINC000494922308 1128212897 /nfs/dbraw/zinc/21/28/97/1128212897.db2.gz KSYOHYOLJUXTPA-UHFFFAOYSA-N 1 2 277.437 3.782 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1scnc1C1CC1 ZINC000494922308 1128212901 /nfs/dbraw/zinc/21/29/01/1128212901.db2.gz KSYOHYOLJUXTPA-UHFFFAOYSA-N 1 2 277.437 3.782 20 30 CHEDLO CC(C)(C/[NH+]=C\c1ccccc1O)c1ccccc1 ZINC000914701163 1128231757 /nfs/dbraw/zinc/23/17/57/1128231757.db2.gz BEYPKJPYHNRLKS-PDGQHHTCSA-N 1 2 253.345 3.789 20 30 CHEDLO C=C(C)C[N@H+](C)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000777959350 1128348662 /nfs/dbraw/zinc/34/86/62/1128348662.db2.gz GKZQZSZUXBOXOL-UHFFFAOYSA-N 1 2 287.432 3.782 20 30 CHEDLO C=C(C)C[N@@H+](C)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000777959350 1128348668 /nfs/dbraw/zinc/34/86/68/1128348668.db2.gz GKZQZSZUXBOXOL-UHFFFAOYSA-N 1 2 287.432 3.782 20 30 CHEDLO C[N@@H+]1CCCc2cc(NCc3ccc(C#N)s3)ccc21 ZINC000123353505 1128371110 /nfs/dbraw/zinc/37/11/10/1128371110.db2.gz AGBUMMDLMVUSMX-UHFFFAOYSA-N 1 2 283.400 3.614 20 30 CHEDLO C[N@H+]1CCCc2cc(NCc3ccc(C#N)s3)ccc21 ZINC000123353505 1128371114 /nfs/dbraw/zinc/37/11/14/1128371114.db2.gz AGBUMMDLMVUSMX-UHFFFAOYSA-N 1 2 283.400 3.614 20 30 CHEDLO Oc1cccc(/C=[NH+]/CCc2csc3ccccc23)c1O ZINC000915981217 1128399803 /nfs/dbraw/zinc/39/98/03/1128399803.db2.gz OOBXLVSLSKTBOI-VCHYOVAHSA-N 1 2 297.379 3.974 20 30 CHEDLO N#CC1CCC(CSc2[nH+]cc3ccccn32)CC1 ZINC000916104403 1128407066 /nfs/dbraw/zinc/40/70/66/1128407066.db2.gz VGECAUBVRDOQPM-UHFFFAOYSA-N 1 2 271.389 3.756 20 30 CHEDLO C=CCC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000563217593 1128455164 /nfs/dbraw/zinc/45/51/64/1128455164.db2.gz NTODRFIFULRNRD-WBVHZDCISA-N 1 2 297.402 3.658 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461357 1128460903 /nfs/dbraw/zinc/46/09/03/1128460903.db2.gz MTZAWVAXSCFTID-QWHCGFSZSA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461357 1128460906 /nfs/dbraw/zinc/46/09/06/1128460906.db2.gz MTZAWVAXSCFTID-QWHCGFSZSA-N 1 2 292.810 3.626 20 30 CHEDLO C#CC[N@H+](Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000917116961 1128483394 /nfs/dbraw/zinc/48/33/94/1128483394.db2.gz AWQHDVPSANAHKY-HXUWFJFHSA-N 1 2 286.378 3.681 20 30 CHEDLO C#CC[N@@H+](Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000917116961 1128483396 /nfs/dbraw/zinc/48/33/96/1128483396.db2.gz AWQHDVPSANAHKY-HXUWFJFHSA-N 1 2 286.378 3.681 20 30 CHEDLO CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257478366 1128489795 /nfs/dbraw/zinc/48/97/95/1128489795.db2.gz RTVNLSMKSICVJZ-KCQAQPDRSA-N 1 2 281.465 3.865 20 30 CHEDLO CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257478366 1128489796 /nfs/dbraw/zinc/48/97/96/1128489796.db2.gz RTVNLSMKSICVJZ-KCQAQPDRSA-N 1 2 281.465 3.865 20 30 CHEDLO C=CC[N@H+](CN1c2cccc3cccc(c23)C1=O)C(C)C ZINC000917481572 1128501150 /nfs/dbraw/zinc/50/11/50/1128501150.db2.gz PKIMJESYEADFMB-UHFFFAOYSA-N 1 2 280.371 3.654 20 30 CHEDLO C=CC[N@@H+](CN1c2cccc3cccc(c23)C1=O)C(C)C ZINC000917481572 1128501153 /nfs/dbraw/zinc/50/11/53/1128501153.db2.gz PKIMJESYEADFMB-UHFFFAOYSA-N 1 2 280.371 3.654 20 30 CHEDLO Cc1ccccc1C[C@@H](C)/[NH+]=C\c1ccccc1O ZINC000917557163 1128506890 /nfs/dbraw/zinc/50/68/90/1128506890.db2.gz ZQILPHYCZORLJZ-IIMQCXAKSA-N 1 2 253.345 3.751 20 30 CHEDLO Cc1ccccc1C[C@H](C)/[NH+]=C\c1ccccc1O ZINC000917557162 1128507071 /nfs/dbraw/zinc/50/70/71/1128507071.db2.gz ZQILPHYCZORLJZ-HIXWQLQUSA-N 1 2 253.345 3.751 20 30 CHEDLO Cc1nc(C[NH2+][C@@H](CCC#N)c2ccccc2)cs1 ZINC000130569896 1128587286 /nfs/dbraw/zinc/58/72/86/1128587286.db2.gz RYDRAYLADDSGKW-HNNXBMFYSA-N 1 2 271.389 3.586 20 30 CHEDLO CC(C)(C#N)CCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919143341 1128592416 /nfs/dbraw/zinc/59/24/16/1128592416.db2.gz HKRVXNPCGLXBTL-UHFFFAOYSA-N 1 2 267.376 3.804 20 30 CHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)CC(C)(C)C#N ZINC000556908376 1128641050 /nfs/dbraw/zinc/64/10/50/1128641050.db2.gz IUQSYRRHHPICON-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CC(C)(C)C#N ZINC000556908376 1128641051 /nfs/dbraw/zinc/64/10/51/1128641051.db2.gz IUQSYRRHHPICON-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000571868194 1128639890 /nfs/dbraw/zinc/63/98/90/1128639890.db2.gz ZCQOAUSMIHHOMI-OAHLLOKOSA-N 1 2 294.398 3.841 20 30 CHEDLO C=CC[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1 ZINC000045796861 1128651943 /nfs/dbraw/zinc/65/19/43/1128651943.db2.gz NGVDKVPUAFOUKR-UHFFFAOYSA-N 1 2 295.342 3.518 20 30 CHEDLO C=CC[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1 ZINC000045796861 1128651945 /nfs/dbraw/zinc/65/19/45/1128651945.db2.gz NGVDKVPUAFOUKR-UHFFFAOYSA-N 1 2 295.342 3.518 20 30 CHEDLO N#C[C@H]1CC=C(Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001212861033 1128659198 /nfs/dbraw/zinc/65/91/98/1128659198.db2.gz MJUJFKKIJQNDJT-AWEZNQCLSA-N 1 2 278.359 3.551 20 30 CHEDLO N#CC1(c2ccc(Nc3cccn4cc[nH+]c34)cc2)CC1 ZINC001212247923 1128669860 /nfs/dbraw/zinc/66/98/60/1128669860.db2.gz XDNRKWOCULAPKQ-UHFFFAOYSA-N 1 2 274.327 3.633 20 30 CHEDLO COc1cccc(/C=[NH+]\CC2CCC(C)CC2)c1O ZINC000920174464 1128670109 /nfs/dbraw/zinc/67/01/09/1128670109.db2.gz NDLZWADXQRPUCH-BOPFTXTBSA-N 1 2 261.365 3.646 20 30 CHEDLO COc1ccc(CC[C@H](C)/[NH+]=C\c2ccccc2O)cc1 ZINC000921260908 1128704778 /nfs/dbraw/zinc/70/47/78/1128704778.db2.gz IBUYUMKFCRJUET-QIQQCEGHSA-N 1 2 283.371 3.841 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000763955035 1117863241 /nfs/dbraw/zinc/86/32/41/1117863241.db2.gz GYKIOHKZEMLRRE-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C#CC[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000763955035 1117863247 /nfs/dbraw/zinc/86/32/47/1117863247.db2.gz GYKIOHKZEMLRRE-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO CC(C)Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901429884 1128743674 /nfs/dbraw/zinc/74/36/74/1128743674.db2.gz FGRPMDXDMJDNKG-CMDGGOBGSA-N 1 2 268.360 3.515 20 30 CHEDLO Cc1cccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000229958038 1117961863 /nfs/dbraw/zinc/96/18/63/1117961863.db2.gz HSGVDWFJAQDIFL-UHFFFAOYSA-N 1 2 268.335 3.638 20 30 CHEDLO Cc1cccc(C[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000229958038 1117961866 /nfs/dbraw/zinc/96/18/66/1117961866.db2.gz HSGVDWFJAQDIFL-UHFFFAOYSA-N 1 2 268.335 3.638 20 30 CHEDLO C=CCN(Cc1ccccc1)c1cc(SC)cc[nH+]1 ZINC001167126890 1118042793 /nfs/dbraw/zinc/04/27/93/1118042793.db2.gz VHQKLFGQXZRBEA-UHFFFAOYSA-N 1 2 270.401 3.996 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc2c(s1)CCC2 ZINC000764443807 1118092760 /nfs/dbraw/zinc/09/27/60/1118092760.db2.gz YEFKVGCKQNAZOU-FPLPWBNLSA-N 1 2 294.379 3.781 20 30 CHEDLO N#Cc1cc(CNc2ccc(N3CCCCC3)c[nH+]2)cs1 ZINC000921574161 1118202174 /nfs/dbraw/zinc/20/21/74/1118202174.db2.gz XIRCMLWERKGKKO-UHFFFAOYSA-N 1 2 298.415 3.617 20 30 CHEDLO CNc1ccc(Nc2ccc(C(C)C)cc2C#N)c[nH+]1 ZINC001203457972 1118215163 /nfs/dbraw/zinc/21/51/63/1118215163.db2.gz FNRRVTZBHBUOGR-UHFFFAOYSA-N 1 2 266.348 3.862 20 30 CHEDLO C[C@H]1CC(=O)C=C(Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC001210776296 1118382579 /nfs/dbraw/zinc/38/25/79/1118382579.db2.gz PVKMGQIAOCWLIL-CQSZACIVSA-N 1 2 284.403 3.972 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000926099741 1118437796 /nfs/dbraw/zinc/43/77/96/1118437796.db2.gz KWVFOWZHBXSCBF-AWEZNQCLSA-N 1 2 286.423 3.812 20 30 CHEDLO CC[N@H+](Cc1nccn1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657517 1118733094 /nfs/dbraw/zinc/73/30/94/1118733094.db2.gz XREMORJGESPYIL-AWEZNQCLSA-N 1 2 294.402 3.673 20 30 CHEDLO CC[N@@H+](Cc1nccn1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657517 1118733096 /nfs/dbraw/zinc/73/30/96/1118733096.db2.gz XREMORJGESPYIL-AWEZNQCLSA-N 1 2 294.402 3.673 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)cc2)nc(C2CCC2)[nH+]1 ZINC000891870601 1118815102 /nfs/dbraw/zinc/81/51/02/1118815102.db2.gz UGHKYEHMKSRALZ-UHFFFAOYSA-N 1 2 278.359 3.536 20 30 CHEDLO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)on1 ZINC000611587314 1119052821 /nfs/dbraw/zinc/05/28/21/1119052821.db2.gz AAIGOPKJMYYJKO-NSHDSACASA-N 1 2 287.338 3.660 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000934469203 1119081500 /nfs/dbraw/zinc/08/15/00/1119081500.db2.gz QKLRPLKWLMEXLR-JTQLQIEISA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000934469203 1119081504 /nfs/dbraw/zinc/08/15/04/1119081504.db2.gz QKLRPLKWLMEXLR-JTQLQIEISA-N 1 2 257.164 3.539 20 30 CHEDLO COc1ccc2cc(NCc3ccccc3C#N)[nH+]cc2c1 ZINC001167632777 1119247882 /nfs/dbraw/zinc/24/78/82/1119247882.db2.gz CPPFPIOJWJVOQU-UHFFFAOYSA-N 1 2 289.338 3.727 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1csc(Cl)c1 ZINC000588558778 1119259257 /nfs/dbraw/zinc/25/92/57/1119259257.db2.gz FGEZEOYZMLUJGQ-PLNGDYQASA-N 1 2 288.759 3.945 20 30 CHEDLO Cc1ccc(F)cc1CNc1[nH+]cccc1OCCCC#N ZINC000162242122 1119271894 /nfs/dbraw/zinc/27/18/94/1119271894.db2.gz UCGLWMJADWOFCH-UHFFFAOYSA-N 1 2 299.349 3.824 20 30 CHEDLO N#CC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000123712654 1119302183 /nfs/dbraw/zinc/30/21/83/1119302183.db2.gz NFDRJAIYNHHUDU-UHFFFAOYSA-N 1 2 283.400 3.546 20 30 CHEDLO N#CC1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000123771030 1119303252 /nfs/dbraw/zinc/30/32/52/1119303252.db2.gz QOWKRBNDHYECLA-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(OCCC(C)C)cc1 ZINC000349856606 1119323036 /nfs/dbraw/zinc/32/30/36/1119323036.db2.gz XIUKZPMVQXKCJE-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(OCCC(C)C)cc1 ZINC000349856606 1119323037 /nfs/dbraw/zinc/32/30/37/1119323037.db2.gz XIUKZPMVQXKCJE-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000728569996 1119372854 /nfs/dbraw/zinc/37/28/54/1119372854.db2.gz ZMZVFYJVCKRKFD-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000728569996 1119372857 /nfs/dbraw/zinc/37/28/57/1119372857.db2.gz ZMZVFYJVCKRKFD-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163832 1119739071 /nfs/dbraw/zinc/73/90/71/1119739071.db2.gz URIRCROJKSGHAA-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163832 1119739075 /nfs/dbraw/zinc/73/90/75/1119739075.db2.gz URIRCROJKSGHAA-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CCSC1(C[NH2+][C@H](CC)c2cccc(C#N)c2O)CC1 ZINC000926709640 1119836092 /nfs/dbraw/zinc/83/60/92/1119836092.db2.gz KCYUJVQFBGSHQG-CQSZACIVSA-N 1 2 290.432 3.590 20 30 CHEDLO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000661385922 1119877955 /nfs/dbraw/zinc/87/79/55/1119877955.db2.gz QTWBMISCZKPBKY-SNVBAGLBSA-N 1 2 256.802 3.585 20 30 CHEDLO C=CC[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000661385922 1119877956 /nfs/dbraw/zinc/87/79/56/1119877956.db2.gz QTWBMISCZKPBKY-SNVBAGLBSA-N 1 2 256.802 3.585 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066470505 1119894357 /nfs/dbraw/zinc/89/43/57/1119894357.db2.gz XDNCMPVLSXSCKH-UWVGGRQHSA-N 1 2 254.736 3.632 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066470505 1119894359 /nfs/dbraw/zinc/89/43/59/1119894359.db2.gz XDNCMPVLSXSCKH-UWVGGRQHSA-N 1 2 254.736 3.632 20 30 CHEDLO C#CCC(C)(C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921661532 1120058175 /nfs/dbraw/zinc/05/81/75/1120058175.db2.gz JUXZLWDHSHFJBQ-UHFFFAOYSA-N 1 2 295.386 3.682 20 30 CHEDLO CC1CC[NH+](c2ccc(Nc3ncccc3C#N)cc2)CC1 ZINC000301080142 1120130358 /nfs/dbraw/zinc/13/03/58/1120130358.db2.gz SSWKGQCBGHYRGR-UHFFFAOYSA-N 1 2 292.386 3.933 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCc1cc(Cl)ccc1Cl ZINC000428842083 1120206538 /nfs/dbraw/zinc/20/65/38/1120206538.db2.gz RQYGEUDHBFXKSE-UHFFFAOYSA-N 1 2 283.202 3.938 20 30 CHEDLO C=CC[N@H+](CCC#N)CCc1cc(Cl)ccc1Cl ZINC000428842083 1120206545 /nfs/dbraw/zinc/20/65/45/1120206545.db2.gz RQYGEUDHBFXKSE-UHFFFAOYSA-N 1 2 283.202 3.938 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1C#N ZINC000066852511 1120415254 /nfs/dbraw/zinc/41/52/54/1120415254.db2.gz AICBWSJDUITPNV-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1C#N ZINC000066852511 1120415258 /nfs/dbraw/zinc/41/52/58/1120415258.db2.gz AICBWSJDUITPNV-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO N#Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cs1 ZINC000922334928 1120518698 /nfs/dbraw/zinc/51/86/98/1120518698.db2.gz HLCDECDADNFLTF-CVEARBPZSA-N 1 2 286.375 3.735 20 30 CHEDLO N#Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cs1 ZINC000922334931 1120519354 /nfs/dbraw/zinc/51/93/54/1120519354.db2.gz HLCDECDADNFLTF-JKSUJKDBSA-N 1 2 286.375 3.735 20 30 CHEDLO C=CCOc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000398067202 1120563569 /nfs/dbraw/zinc/56/35/69/1120563569.db2.gz NZMZSKHGVXJWKG-AWEZNQCLSA-N 1 2 267.319 3.529 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000662078373 1120871523 /nfs/dbraw/zinc/87/15/23/1120871523.db2.gz JRJZUORWXZLPJG-SFHVURJKSA-N 1 2 284.403 3.550 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000662078373 1120871526 /nfs/dbraw/zinc/87/15/26/1120871526.db2.gz JRJZUORWXZLPJG-SFHVURJKSA-N 1 2 284.403 3.550 20 30 CHEDLO Cc1c(Cl)ccc(C[NH2+]C[C@H](C)C#N)c1Cl ZINC000893544104 1120874505 /nfs/dbraw/zinc/87/45/05/1120874505.db2.gz JPHPMFALGHWHLV-MRVPVSSYSA-N 1 2 257.164 3.551 20 30 CHEDLO Cc1[nH+]c(C(C)(C)C)nc(N[C@H]2CC[C@H](C#N)CC2)c1C ZINC001167841975 1121062630 /nfs/dbraw/zinc/06/26/30/1121062630.db2.gz BHNHFCJYWBYCGG-HDJSIYSDSA-N 1 2 286.423 3.885 20 30 CHEDLO CC(C)c1cc(NCCCCC#N)nc(C(C)C)[nH+]1 ZINC000090090472 1121112966 /nfs/dbraw/zinc/11/29/66/1121112966.db2.gz JKQYIACOBBVKNG-UHFFFAOYSA-N 1 2 260.385 3.829 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(-c2ccccc2)on1 ZINC000674709203 1121172988 /nfs/dbraw/zinc/17/29/88/1121172988.db2.gz IGGKJNHXCKNLIB-UHFFFAOYSA-N 1 2 254.333 3.516 20 30 CHEDLO CCCCCCCCOC(=O)C[NH2+][C@H](C)CCSC ZINC001258209054 1128974926 /nfs/dbraw/zinc/97/49/26/1128974926.db2.gz RPHKMWHHWUPYPN-CQSZACIVSA-N 1 2 289.485 3.621 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246516642 1121307291 /nfs/dbraw/zinc/30/72/91/1121307291.db2.gz IHMDXJHFAMVCRX-CXAGYDPISA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246516642 1121307296 /nfs/dbraw/zinc/30/72/96/1121307296.db2.gz IHMDXJHFAMVCRX-CXAGYDPISA-N 1 2 298.411 3.754 20 30 CHEDLO Nc1ccccc1C(NO)=[NH+]c1cccc2ccsc21 ZINC001175385513 1121308903 /nfs/dbraw/zinc/30/89/03/1121308903.db2.gz BRQDNMQBANZVNH-UHFFFAOYSA-N 1 2 283.356 3.541 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cc(F)cc(C#N)c1 ZINC001175684883 1121431311 /nfs/dbraw/zinc/43/13/11/1121431311.db2.gz DMXKTDWWFNQNIF-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO Cc1ccc(C#N)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175712557 1121435127 /nfs/dbraw/zinc/43/51/27/1121435127.db2.gz OIPSPMKJSQVIFX-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO C[C@H](CCC#N)[N@H+](C)Cc1cscc1Br ZINC000709981345 1121473551 /nfs/dbraw/zinc/47/35/51/1121473551.db2.gz DMRGRLWLWXFZNE-SECBINFHSA-N 1 2 287.226 3.635 20 30 CHEDLO C[C@H](CCC#N)[N@@H+](C)Cc1cscc1Br ZINC000709981345 1121473553 /nfs/dbraw/zinc/47/35/53/1121473553.db2.gz DMRGRLWLWXFZNE-SECBINFHSA-N 1 2 287.226 3.635 20 30 CHEDLO C#Cc1ccc(NCc2c[nH+]cn2C(C)C)c(Cl)c1 ZINC000922926602 1121489318 /nfs/dbraw/zinc/48/93/18/1121489318.db2.gz OKDKLVIOSFFEJO-UHFFFAOYSA-N 1 2 273.767 3.711 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C#N)c(Cl)c1C ZINC001176125347 1121560054 /nfs/dbraw/zinc/56/00/54/1121560054.db2.gz ZVSTZTFLRCXXNS-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000625980308 1121564086 /nfs/dbraw/zinc/56/40/86/1121564086.db2.gz QCRBPWFJDYRIAR-GFCCVEGCSA-N 1 2 283.749 3.811 20 30 CHEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000625980308 1121564088 /nfs/dbraw/zinc/56/40/88/1121564088.db2.gz QCRBPWFJDYRIAR-GFCCVEGCSA-N 1 2 283.749 3.811 20 30 CHEDLO N#Cc1c(F)cccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000077982025 1121594770 /nfs/dbraw/zinc/59/47/70/1121594770.db2.gz KSNCMYCBVTYVHH-UHFFFAOYSA-N 1 2 279.274 3.675 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C)cc1O ZINC000730147029 1121795053 /nfs/dbraw/zinc/79/50/53/1121795053.db2.gz JUSLHDHUBPFDFY-UHFFFAOYSA-N 1 2 291.354 3.507 20 30 CHEDLO CC(C)Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731156989 1121850121 /nfs/dbraw/zinc/85/01/21/1121850121.db2.gz QXBSWACDOXTZPR-BQYQJAHWSA-N 1 2 254.333 3.504 20 30 CHEDLO CCCCc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731157391 1121850266 /nfs/dbraw/zinc/85/02/66/1121850266.db2.gz WSVFAKUUVMKUPZ-MDZDMXLPSA-N 1 2 254.333 3.648 20 30 CHEDLO Cc1cc(C)c(/C=C/C[N@@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC001180030814 1121939133 /nfs/dbraw/zinc/93/91/33/1121939133.db2.gz QADUBWLGLPGCDS-MOEXGYKKSA-N 1 2 256.393 3.859 20 30 CHEDLO Cc1cc(C)c(/C=C/C[N@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC001180030814 1121939139 /nfs/dbraw/zinc/93/91/39/1121939139.db2.gz QADUBWLGLPGCDS-MOEXGYKKSA-N 1 2 256.393 3.859 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1C#N ZINC000710618550 1122024355 /nfs/dbraw/zinc/02/43/55/1122024355.db2.gz FONNLMMEHSTVIT-HNNXBMFYSA-N 1 2 283.400 3.660 20 30 CHEDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1C#N ZINC000710618550 1122024361 /nfs/dbraw/zinc/02/43/61/1122024361.db2.gz FONNLMMEHSTVIT-HNNXBMFYSA-N 1 2 283.400 3.660 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421321061 1122092060 /nfs/dbraw/zinc/09/20/60/1122092060.db2.gz QOLDDJNUQFLHIL-UHFFFAOYSA-N 1 2 269.820 3.560 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421321061 1122092069 /nfs/dbraw/zinc/09/20/69/1122092069.db2.gz QOLDDJNUQFLHIL-UHFFFAOYSA-N 1 2 269.820 3.560 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+]C(CCC)CCC)C(=O)OCC ZINC001183313767 1122217128 /nfs/dbraw/zinc/21/71/28/1122217128.db2.gz SPKAHCKAKLLHFZ-ZDUSSCGKSA-N 1 2 275.820 3.619 20 30 CHEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](CC)CCCC)C(=O)OCC ZINC001183312521 1122217210 /nfs/dbraw/zinc/21/72/10/1122217210.db2.gz KZMCDKILRDOSSK-QWHCGFSZSA-N 1 2 275.820 3.619 20 30 CHEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000076153785 1129048828 /nfs/dbraw/zinc/04/88/28/1129048828.db2.gz FPAYAFDUCXSMTQ-IRXDYDNUSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000076153785 1129048830 /nfs/dbraw/zinc/04/88/30/1129048830.db2.gz FPAYAFDUCXSMTQ-IRXDYDNUSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1cc(C#N)c(F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964189 1122303236 /nfs/dbraw/zinc/30/32/36/1122303236.db2.gz IFXCJOLFHJCCAK-UHFFFAOYSA-N 1 2 296.349 3.745 20 30 CHEDLO Cc1cccc(C#N)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968027 1122304355 /nfs/dbraw/zinc/30/43/55/1122304355.db2.gz KEWXVRBHIGZJFJ-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424603468 1122318080 /nfs/dbraw/zinc/31/80/80/1122318080.db2.gz XFHMSMMRUZTEJW-UHFFFAOYSA-N 1 2 287.338 3.552 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cccc(-c2ccncc2)c1 ZINC000430092526 1122400210 /nfs/dbraw/zinc/40/02/10/1122400210.db2.gz AVJUBVSAZHYWEC-UHFFFAOYSA-N 1 2 277.371 3.650 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cccc(-c2ccncc2)c1 ZINC000430092526 1122400214 /nfs/dbraw/zinc/40/02/14/1122400214.db2.gz AVJUBVSAZHYWEC-UHFFFAOYSA-N 1 2 277.371 3.650 20 30 CHEDLO Cc1cc(N(C)[C@H](C)c2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC000425285191 1122435787 /nfs/dbraw/zinc/43/57/87/1122435787.db2.gz RNKPNTYQRZFOIN-CYBMUJFWSA-N 1 2 292.386 3.732 20 30 CHEDLO C=C1CC(C)(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)C1 ZINC000632812182 1129056000 /nfs/dbraw/zinc/05/60/00/1129056000.db2.gz IVNIVHYLFIAJPB-UHFFFAOYSA-N 1 2 281.359 3.680 20 30 CHEDLO CCCCCCCCNC(=O)NCc1c[nH+]cn1C(C)C ZINC001191076541 1122569279 /nfs/dbraw/zinc/56/92/79/1122569279.db2.gz GGEFZSFSSVXOND-UHFFFAOYSA-N 1 2 294.443 3.624 20 30 CHEDLO CCCc1csc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000426034560 1122704774 /nfs/dbraw/zinc/70/47/74/1122704774.db2.gz IFVGYBVSXNGWTR-UHFFFAOYSA-N 1 2 285.416 3.599 20 30 CHEDLO CCCc1csc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000426034560 1122704777 /nfs/dbraw/zinc/70/47/77/1122704777.db2.gz IFVGYBVSXNGWTR-UHFFFAOYSA-N 1 2 285.416 3.599 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000426551311 1122819660 /nfs/dbraw/zinc/81/96/60/1122819660.db2.gz YZGHTGFMYCNSRU-LLVKDONJSA-N 1 2 255.283 3.644 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000426551311 1122819663 /nfs/dbraw/zinc/81/96/63/1122819663.db2.gz YZGHTGFMYCNSRU-LLVKDONJSA-N 1 2 255.283 3.644 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000426581769 1122828221 /nfs/dbraw/zinc/82/82/21/1122828221.db2.gz WBXNDQGCTBHINA-LLVKDONJSA-N 1 2 255.283 3.644 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000426581769 1122828227 /nfs/dbraw/zinc/82/82/27/1122828227.db2.gz WBXNDQGCTBHINA-LLVKDONJSA-N 1 2 255.283 3.644 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000664824696 1122865088 /nfs/dbraw/zinc/86/50/88/1122865088.db2.gz XHHFUWDEXZDWKM-SFHVURJKSA-N 1 2 294.373 3.655 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000664824696 1122865093 /nfs/dbraw/zinc/86/50/93/1122865093.db2.gz XHHFUWDEXZDWKM-SFHVURJKSA-N 1 2 294.373 3.655 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1ccncc1 ZINC000664834103 1122879940 /nfs/dbraw/zinc/87/99/40/1122879940.db2.gz UISMMWOJLJHXOB-GOSISDBHSA-N 1 2 294.373 3.655 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1ccncc1 ZINC000664834103 1122879945 /nfs/dbraw/zinc/87/99/45/1122879945.db2.gz UISMMWOJLJHXOB-GOSISDBHSA-N 1 2 294.373 3.655 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001196727522 1122931104 /nfs/dbraw/zinc/93/11/04/1122931104.db2.gz FNRNPYFOOXQVRJ-LBPRGKRZSA-N 1 2 281.321 3.865 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001196727522 1122931107 /nfs/dbraw/zinc/93/11/07/1122931107.db2.gz FNRNPYFOOXQVRJ-LBPRGKRZSA-N 1 2 281.321 3.865 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342721 1122991512 /nfs/dbraw/zinc/99/15/12/1122991512.db2.gz QFVGPHUYEVUIQG-QWHCGFSZSA-N 1 2 297.377 3.747 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342721 1122991513 /nfs/dbraw/zinc/99/15/13/1122991513.db2.gz QFVGPHUYEVUIQG-QWHCGFSZSA-N 1 2 297.377 3.747 20 30 CHEDLO N#CCCCC[NH2+][C@@H](c1cccc(Cl)c1)C(F)F ZINC000880535731 1123028376 /nfs/dbraw/zinc/02/83/76/1123028376.db2.gz HTCCLEXMHDQMKV-LBPRGKRZSA-N 1 2 272.726 3.930 20 30 CHEDLO C=CCC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000776099012 1123057143 /nfs/dbraw/zinc/05/71/43/1123057143.db2.gz INYCWCGBTDCWTH-KRWDZBQOSA-N 1 2 296.370 3.774 20 30 CHEDLO N#Cc1cc(-c2ccccc2)oc1Nc1ccc(N)[nH+]c1 ZINC001201275360 1123085074 /nfs/dbraw/zinc/08/50/74/1123085074.db2.gz CQFADEODJAGMQQ-UHFFFAOYSA-N 1 2 276.299 3.539 20 30 CHEDLO CC(C)[NH2+]c1ccc(-n2ccc3c2cc(C#N)cc3N)cc1 ZINC001201497987 1123111727 /nfs/dbraw/zinc/11/17/27/1123111727.db2.gz PIJAHOACVQPSME-UHFFFAOYSA-N 1 2 290.370 3.905 20 30 CHEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC001201569445 1123125565 /nfs/dbraw/zinc/12/55/65/1123125565.db2.gz FAYCSRSGAPLVTO-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO COc1cc[nH+]c(Nc2ccc(C(F)(F)F)cc2C#N)c1 ZINC001201682577 1123135195 /nfs/dbraw/zinc/13/51/95/1123135195.db2.gz BNLNBXIITKRXMR-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO C=CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000850502706 1123276253 /nfs/dbraw/zinc/27/62/53/1123276253.db2.gz VDTSPUUBEFYHBD-MRVPVSSYSA-N 1 2 288.160 3.521 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccnc1Cl ZINC000850549396 1123289036 /nfs/dbraw/zinc/28/90/36/1123289036.db2.gz GKMHVHJEEIHQEH-LBPRGKRZSA-N 1 2 277.799 3.860 20 30 CHEDLO CC(=[NH+]Nc1ccc(C(C)(C)C)cc1)c1csc(N)n1 ZINC000779825261 1129138802 /nfs/dbraw/zinc/13/88/02/1129138802.db2.gz QOXDWVDWRKUWEJ-UHFFFAOYSA-N 1 2 288.420 3.859 20 30 CHEDLO C[C@H](C[N@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000346477832 1123688662 /nfs/dbraw/zinc/68/86/62/1123688662.db2.gz DVJLECWXNQGBKR-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@H](C[N@@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000346477832 1123688665 /nfs/dbraw/zinc/68/86/65/1123688665.db2.gz DVJLECWXNQGBKR-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H](C[N@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000346477830 1123688885 /nfs/dbraw/zinc/68/88/85/1123688885.db2.gz DVJLECWXNQGBKR-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H](C[N@@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000346477830 1123688888 /nfs/dbraw/zinc/68/88/88/1123688888.db2.gz DVJLECWXNQGBKR-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO CC(C)(C)[C@@H]1OCCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000118169846 1123776030 /nfs/dbraw/zinc/77/60/30/1123776030.db2.gz ZHJGOPMNJGFVEC-BPGDOXJDSA-N 1 2 275.392 3.652 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000119119020 1123830873 /nfs/dbraw/zinc/83/08/73/1123830873.db2.gz PRZGAQDRXPCEET-CMDGGOBGSA-N 1 2 262.312 3.539 20 30 CHEDLO CC(C)(C)c1csc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000865469364 1123987523 /nfs/dbraw/zinc/98/75/23/1123987523.db2.gz VDMBVUSNXRDGEX-UHFFFAOYSA-N 1 2 284.428 3.582 20 30 CHEDLO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866248221 1124041576 /nfs/dbraw/zinc/04/15/76/1124041576.db2.gz BHUFQUKUECFFHR-SCLBCKFNSA-N 1 2 292.382 3.910 20 30 CHEDLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866249412 1124041722 /nfs/dbraw/zinc/04/17/22/1124041722.db2.gz JZGWQJZBOYLBBO-CHWSQXEVSA-N 1 2 296.370 3.684 20 30 CHEDLO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)CC(F)(F)F ZINC000866374319 1124058943 /nfs/dbraw/zinc/05/89/43/1124058943.db2.gz CAVDBSNWBGPMEB-NXEZZACHSA-N 1 2 286.297 3.503 20 30 CHEDLO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cccc(C#N)c1O ZINC000866383771 1124060085 /nfs/dbraw/zinc/06/00/85/1124060085.db2.gz QXJXGPPPQABGQY-LKTVYLICSA-N 1 2 296.773 3.619 20 30 CHEDLO Cc1ccccc1C1([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866380303 1124060102 /nfs/dbraw/zinc/06/01/02/1124060102.db2.gz ASMKOCVXTDEUJR-CQSZACIVSA-N 1 2 292.382 3.912 20 30 CHEDLO C=CC[C@H]1[N@H+](Cc2noc(C(C)C)n2)CCCC1(C)C ZINC000444788452 1124065035 /nfs/dbraw/zinc/06/50/35/1124065035.db2.gz VNALRZOQJDBSJJ-CYBMUJFWSA-N 1 2 277.412 3.760 20 30 CHEDLO C=CC[C@H]1[N@@H+](Cc2noc(C(C)C)n2)CCCC1(C)C ZINC000444788452 1124065040 /nfs/dbraw/zinc/06/50/40/1124065040.db2.gz VNALRZOQJDBSJJ-CYBMUJFWSA-N 1 2 277.412 3.760 20 30 CHEDLO CCc1cc(C[N@@H+]2CCC[C@@H]2c2nccs2)ccc1C#N ZINC001238779926 1131246281 /nfs/dbraw/zinc/24/62/81/1131246281.db2.gz YYENEKXQALQWLT-MRXNPFEDSA-N 1 2 297.427 3.914 20 30 CHEDLO CCc1cc(C[N@H+]2CCC[C@@H]2c2nccs2)ccc1C#N ZINC001238779926 1131246284 /nfs/dbraw/zinc/24/62/84/1131246284.db2.gz YYENEKXQALQWLT-MRXNPFEDSA-N 1 2 297.427 3.914 20 30 CHEDLO CC(C)n1c[nH+]cc1CN=Nc1ncc(Cl)cc1Cl ZINC000819806573 1131265062 /nfs/dbraw/zinc/26/50/62/1131265062.db2.gz RDFDFIYNEMHAOX-UHFFFAOYSA-N 1 2 298.177 3.612 20 30 CHEDLO CC1CCC(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000447904519 1124543833 /nfs/dbraw/zinc/54/38/33/1124543833.db2.gz QMFGIVYDRLRQFN-FOIPXRHGSA-N 1 2 290.451 3.740 20 30 CHEDLO CC1CCC(C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000447904519 1124543845 /nfs/dbraw/zinc/54/38/45/1124543845.db2.gz QMFGIVYDRLRQFN-FOIPXRHGSA-N 1 2 290.451 3.740 20 30 CHEDLO Cc1cc2[nH+]ccn2cc1/C=C/c1ccc(C#N)cc1 ZINC001239296756 1131312520 /nfs/dbraw/zinc/31/25/20/1131312520.db2.gz ITZIJBCDSKQNSS-VOTSOKGWSA-N 1 2 259.312 3.685 20 30 CHEDLO Nc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)c[nH+]1 ZINC000821030715 1131316021 /nfs/dbraw/zinc/31/60/21/1131316021.db2.gz BFRDAEZXRMELIN-DAFODLJHSA-N 1 2 298.729 3.960 20 30 CHEDLO N#Cc1cnc(Cl)c(C[NH+]2CC(C3CCCCC3)C2)c1 ZINC000877580242 1125048885 /nfs/dbraw/zinc/04/88/85/1125048885.db2.gz IZPYRSGXSOVEGY-UHFFFAOYSA-N 1 2 289.810 3.619 20 30 CHEDLO Cc1cccc(CCCNc2cccc(Cl)c2C#N)[nH+]1 ZINC000450520421 1125051327 /nfs/dbraw/zinc/05/13/27/1125051327.db2.gz PZELUKKSIMVOKU-UHFFFAOYSA-N 1 2 285.778 3.960 20 30 CHEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001239479637 1131337056 /nfs/dbraw/zinc/33/70/56/1131337056.db2.gz AZKLGBUFKCTHHT-XDHOZWIPSA-N 1 2 263.344 3.755 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000122838296 1125207658 /nfs/dbraw/zinc/20/76/58/1125207658.db2.gz DLMIJBQGALLRND-UHFFFAOYSA-N 1 2 281.359 3.579 20 30 CHEDLO CCOCCC1(C/[NH+]=C\c2cccc(O)c2O)CCCC1 ZINC000760212900 1125301088 /nfs/dbraw/zinc/30/10/88/1125301088.db2.gz UIQWHYKBBSESNK-PDGQHHTCSA-N 1 2 291.391 3.504 20 30 CHEDLO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1Cl)=C1CC1(F)F ZINC000841626418 1125323642 /nfs/dbraw/zinc/32/36/42/1125323642.db2.gz HBGDZZXEIJVDHR-QMMMGPOBSA-N 1 2 289.669 3.691 20 30 CHEDLO C=CCCC[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000882235437 1125341806 /nfs/dbraw/zinc/34/18/06/1125341806.db2.gz PBLHOAQYQKLNLV-INIZCTEOSA-N 1 2 297.402 3.556 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000883204952 1125377284 /nfs/dbraw/zinc/37/72/84/1125377284.db2.gz LTMWBAHIHHSVKE-QGZVFWFLSA-N 1 2 269.392 3.905 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc2ccccc2o1 ZINC000352825457 1125399334 /nfs/dbraw/zinc/39/93/34/1125399334.db2.gz SYOQEUKTXVQDRG-JTQLQIEISA-N 1 2 283.356 3.612 20 30 CHEDLO N#CCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385479 1125454261 /nfs/dbraw/zinc/45/42/61/1125454261.db2.gz UYDQRQHSVHYOJY-INIZCTEOSA-N 1 2 253.349 3.609 20 30 CHEDLO N#CCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385479 1125454266 /nfs/dbraw/zinc/45/42/66/1125454266.db2.gz UYDQRQHSVHYOJY-INIZCTEOSA-N 1 2 253.349 3.609 20 30 CHEDLO CCCCCCC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187216319 1129282171 /nfs/dbraw/zinc/28/21/71/1129282171.db2.gz PHUPUPVABXYSJE-GOSISDBHSA-N 1 2 267.438 3.918 20 30 CHEDLO C=C(Cl)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000734854187 1129325420 /nfs/dbraw/zinc/32/54/20/1129325420.db2.gz MYHJQLRBNBUGHN-CQSZACIVSA-N 1 2 267.825 3.837 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000734854187 1129325424 /nfs/dbraw/zinc/32/54/24/1129325424.db2.gz MYHJQLRBNBUGHN-CQSZACIVSA-N 1 2 267.825 3.837 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1C ZINC000640029557 1129344893 /nfs/dbraw/zinc/34/48/93/1129344893.db2.gz JEEXURAIDODTLZ-SJLPKXTDSA-N 1 2 298.430 3.939 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1C ZINC000640029557 1129344897 /nfs/dbraw/zinc/34/48/97/1129344897.db2.gz JEEXURAIDODTLZ-SJLPKXTDSA-N 1 2 298.430 3.939 20 30 CHEDLO CCc1ccc(CC/[NH+]=C/c2ccccc2O)cc1 ZINC000735978973 1129361226 /nfs/dbraw/zinc/36/12/26/1129361226.db2.gz RNALRKLWPMBKNV-QGOAFFKASA-N 1 2 253.345 3.616 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1nccc2ccccc21 ZINC000740762066 1129417661 /nfs/dbraw/zinc/41/76/61/1129417661.db2.gz YGQLTVGPHQWPJN-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@H](C)Cc2cccs2)c1O ZINC000741465656 1129436851 /nfs/dbraw/zinc/43/68/51/1129436851.db2.gz XDNTZUKRSAFFJW-PBSOMRJOSA-N 1 2 289.400 3.760 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H](C)Cc2cccs2)c1O ZINC000741465658 1129436979 /nfs/dbraw/zinc/43/69/79/1129436979.db2.gz XDNTZUKRSAFFJW-UEMWTREESA-N 1 2 289.400 3.760 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@H](C)Cc2cccs2)c1O ZINC000741465659 1129437015 /nfs/dbraw/zinc/43/70/15/1129437015.db2.gz XDNTZUKRSAFFJW-ZSAINHDTSA-N 1 2 289.400 3.760 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2ccc(C)cc2)c1O ZINC000737440909 1129447410 /nfs/dbraw/zinc/44/74/10/1129447410.db2.gz UDOFLHDJCKUQTF-BXUJETTOSA-N 1 2 283.371 3.932 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cccc(O)c1 ZINC000737444453 1129449452 /nfs/dbraw/zinc/44/94/52/1129449452.db2.gz RKRGGICXDPHJSH-WAYWQWQTSA-N 1 2 298.729 3.589 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC(C2CC2)C2CC2)c1O ZINC000743044899 1129512134 /nfs/dbraw/zinc/51/21/34/1129512134.db2.gz TXDUCBVRABGJJA-VCHYOVAHSA-N 1 2 273.376 3.646 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000822526527 1131385156 /nfs/dbraw/zinc/38/51/56/1131385156.db2.gz WHXBTFUJKXVIOR-GFCCVEGCSA-N 1 2 281.359 3.617 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000822526527 1131385158 /nfs/dbraw/zinc/38/51/58/1131385158.db2.gz WHXBTFUJKXVIOR-GFCCVEGCSA-N 1 2 281.359 3.617 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000743876392 1129543271 /nfs/dbraw/zinc/54/32/71/1129543271.db2.gz ZKFDTJGZDZTRLK-ZYHUDNBSSA-N 1 2 284.197 3.961 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000743876392 1129543273 /nfs/dbraw/zinc/54/32/73/1129543273.db2.gz ZKFDTJGZDZTRLK-ZYHUDNBSSA-N 1 2 284.197 3.961 20 30 CHEDLO C=CC[N@H+](Cc1csc(Br)n1)C(C)(C)C ZINC001137585893 1131381633 /nfs/dbraw/zinc/38/16/33/1131381633.db2.gz OJQYEFVKJLDRMV-UHFFFAOYSA-N 1 2 289.242 3.692 20 30 CHEDLO C=CC[N@@H+](Cc1csc(Br)n1)C(C)(C)C ZINC001137585893 1131381637 /nfs/dbraw/zinc/38/16/37/1131381637.db2.gz OJQYEFVKJLDRMV-UHFFFAOYSA-N 1 2 289.242 3.692 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccnc1Cl ZINC000822525597 1131384667 /nfs/dbraw/zinc/38/46/67/1131384667.db2.gz JKNXEPOSVPQUQF-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1Cl ZINC000822525597 1131384673 /nfs/dbraw/zinc/38/46/73/1131384673.db2.gz JKNXEPOSVPQUQF-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C=CCCn1cc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)nn1 ZINC000653574954 1129785874 /nfs/dbraw/zinc/78/58/74/1129785874.db2.gz ZVVIFCXUAVIMAZ-HNNXBMFYSA-N 1 2 296.418 3.580 20 30 CHEDLO C=CCCn1cc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)nn1 ZINC000653574954 1129785878 /nfs/dbraw/zinc/78/58/78/1129785878.db2.gz ZVVIFCXUAVIMAZ-HNNXBMFYSA-N 1 2 296.418 3.580 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)o1 ZINC000769388858 1129905477 /nfs/dbraw/zinc/90/54/77/1129905477.db2.gz JIJOIVMALJJGFL-HBUWYVDXSA-N 1 2 296.370 3.502 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000769388858 1129905481 /nfs/dbraw/zinc/90/54/81/1129905481.db2.gz JIJOIVMALJJGFL-HBUWYVDXSA-N 1 2 296.370 3.502 20 30 CHEDLO COc1cccc2cc(C[N@H+](C[C@@H](C)C#N)C3CC3)oc21 ZINC000769543649 1129917422 /nfs/dbraw/zinc/91/74/22/1129917422.db2.gz FTJWXBRNTQFILD-LBPRGKRZSA-N 1 2 284.359 3.565 20 30 CHEDLO COc1cccc2cc(C[N@@H+](C[C@@H](C)C#N)C3CC3)oc21 ZINC000769543649 1129917425 /nfs/dbraw/zinc/91/74/25/1129917425.db2.gz FTJWXBRNTQFILD-LBPRGKRZSA-N 1 2 284.359 3.565 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc2c(s1)CCC2 ZINC000769614453 1129919684 /nfs/dbraw/zinc/91/96/84/1129919684.db2.gz JISNQFPABUXWGF-FPLPWBNLSA-N 1 2 294.379 3.781 20 30 CHEDLO Cc1[nH]c(/C=C2\CCCc3ccccc3C2=O)[nH+]c1C ZINC000901415338 1129923008 /nfs/dbraw/zinc/92/30/08/1129923008.db2.gz HWFLJEZWKNILMX-GXDHUFHOSA-N 1 2 266.344 3.629 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2cc(C)cc(C)c2)[nH+]c1C ZINC000901473549 1129928077 /nfs/dbraw/zinc/92/80/77/1129928077.db2.gz JJMTWNTYJBMHCU-AATRIKPKSA-N 1 2 254.333 3.539 20 30 CHEDLO Cc1cc(F)ccc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901473588 1129928524 /nfs/dbraw/zinc/92/85/24/1129928524.db2.gz LDLPRYSOHCPGDD-ALCCZGGFSA-N 1 2 272.323 3.808 20 30 CHEDLO Cc1c(C(=O)/C=C\c2c[nH+]cn2C(C)C)cccc1[N+](=O)[O-] ZINC000901481439 1129929095 /nfs/dbraw/zinc/92/90/95/1129929095.db2.gz NJTDRUDXLWOILN-FPLPWBNLSA-N 1 2 299.330 3.577 20 30 CHEDLO CC(C)c1cccc2c1OCC/C(=C\c1c[nH+]cn1C)C2=O ZINC000901485417 1129929824 /nfs/dbraw/zinc/92/98/24/1129929824.db2.gz IZYZEBOABVDSSP-UKTHLTGXSA-N 1 2 296.370 3.592 20 30 CHEDLO Cc1[nH]c(/C=C2/CCc3ccc(Cl)cc3C2=O)[nH+]c1C ZINC000901491774 1129930355 /nfs/dbraw/zinc/93/03/55/1129930355.db2.gz VWPNFYWICBWYIG-GHXNOFRVSA-N 1 2 286.762 3.892 20 30 CHEDLO COc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)ccc1F ZINC000901490917 1129930590 /nfs/dbraw/zinc/93/05/90/1129930590.db2.gz ZOAVTQSGMTZDHF-FNORWQNLSA-N 1 2 288.322 3.508 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cccc(C2CC2)c1 ZINC000901515033 1129933005 /nfs/dbraw/zinc/93/30/05/1129933005.db2.gz YDRYTSHICKIHIV-CMDGGOBGSA-N 1 2 266.344 3.677 20 30 CHEDLO Cc1cccc2c1C(=O)/C(=C/c1c[nH+]cn1C(C)C)C2 ZINC000901518638 1129933506 /nfs/dbraw/zinc/93/35/06/1129933506.db2.gz NBPVIUGMNWCTGC-RIYZIHGNSA-N 1 2 266.344 3.595 20 30 CHEDLO Cc1[nH]c(/C=C2\C[C@H](C)c3ccsc3C2=O)[nH+]c1C ZINC000901516715 1129933534 /nfs/dbraw/zinc/93/35/34/1129933534.db2.gz FZFKXJIOLFXXGN-LBTPYSACSA-N 1 2 272.373 3.862 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000769975827 1129933989 /nfs/dbraw/zinc/93/39/89/1129933989.db2.gz MLMCSWZHSUUIQU-ZDUSSCGKSA-N 1 2 270.401 3.572 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000769975827 1129933991 /nfs/dbraw/zinc/93/39/91/1129933991.db2.gz MLMCSWZHSUUIQU-ZDUSSCGKSA-N 1 2 270.401 3.572 20 30 CHEDLO COc1cc2[nH+]ccn2cc1-c1cc(Cl)cc(C#N)c1 ZINC001242570907 1129940669 /nfs/dbraw/zinc/94/06/69/1129940669.db2.gz WBJZTZGBLNBPGR-UHFFFAOYSA-N 1 2 283.718 3.535 20 30 CHEDLO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1cc(C#N)ccn1 ZINC000902891151 1130079732 /nfs/dbraw/zinc/07/97/32/1130079732.db2.gz OGFLBFNNLGYYIN-GHMZBOCLSA-N 1 2 287.313 3.643 20 30 CHEDLO CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C#N)c1 ZINC000903024876 1130102096 /nfs/dbraw/zinc/10/20/96/1130102096.db2.gz OYBHDLWPCFRRMF-AWEZNQCLSA-N 1 2 298.415 3.528 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C(F)(F)F)cn1 ZINC000903108620 1130114929 /nfs/dbraw/zinc/11/49/29/1130114929.db2.gz FOINUQZZVSIAON-LLVKDONJSA-N 1 2 297.324 3.835 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4ccc(F)cc4C3=O)n21 ZINC000749005235 1130257021 /nfs/dbraw/zinc/25/70/21/1130257021.db2.gz XULAJIAHHNXBDU-MDWZMJQESA-N 1 2 292.313 3.604 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)c1 ZINC000749000393 1130258757 /nfs/dbraw/zinc/25/87/57/1130258757.db2.gz YBUZQTVRQWYQHT-KTKRTIGZSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4c(cccc4F)C3=O)n21 ZINC000748997179 1130259272 /nfs/dbraw/zinc/25/92/72/1130259272.db2.gz HIEWCZDWZVKEGY-WQLSENKSSA-N 1 2 292.313 3.604 20 30 CHEDLO C=CC[N@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1 ZINC000678153890 1130361024 /nfs/dbraw/zinc/36/10/24/1130361024.db2.gz IREMNHMVLUOSBX-UHFFFAOYSA-N 1 2 277.371 3.751 20 30 CHEDLO C=CC[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccccc1 ZINC000678153890 1130361031 /nfs/dbraw/zinc/36/10/31/1130361031.db2.gz IREMNHMVLUOSBX-UHFFFAOYSA-N 1 2 277.371 3.751 20 30 CHEDLO N#CCOc1ccccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001212600468 1130467954 /nfs/dbraw/zinc/46/79/54/1130467954.db2.gz VOEXFZYFDIHYBP-UHFFFAOYSA-N 1 2 290.326 3.518 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000793566826 1130570450 /nfs/dbraw/zinc/57/04/50/1130570450.db2.gz JVNPGSWNJQNACS-UHFFFAOYSA-N 1 2 286.419 3.900 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000793566826 1130570454 /nfs/dbraw/zinc/57/04/54/1130570454.db2.gz JVNPGSWNJQNACS-UHFFFAOYSA-N 1 2 286.419 3.900 20 30 CHEDLO CC(=[NH+]Nc1ccc2ccccc2n1)c1ccc(N)cc1C ZINC000758094082 1130597593 /nfs/dbraw/zinc/59/75/93/1130597593.db2.gz OJIQNOGXBNFCAR-UHFFFAOYSA-N 1 2 290.370 3.962 20 30 CHEDLO CC(=[NH+]Nc1cc(F)c(F)cc1F)c1ccc(N)cc1C ZINC000758111870 1130598739 /nfs/dbraw/zinc/59/87/39/1130598739.db2.gz ZXYPLKFTOLAJSY-UHFFFAOYSA-N 1 2 293.292 3.831 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(Cl)cc1 ZINC000811517389 1130615696 /nfs/dbraw/zinc/61/56/96/1130615696.db2.gz QXRYNZLCFWDLCA-OAHLLOKOSA-N 1 2 295.773 3.680 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccccc1OC)c1ccc(Cl)cc1 ZINC000811517338 1130615854 /nfs/dbraw/zinc/61/58/54/1130615854.db2.gz OVXRGRADIVEVCN-INIZCTEOSA-N 1 2 285.774 3.813 20 30 CHEDLO CN(c1ccc(C[N@H+](C)CCC#N)cc1)c1ccccc1F ZINC001234222903 1130618557 /nfs/dbraw/zinc/61/85/57/1130618557.db2.gz ZXYCMFFTMOVDLP-UHFFFAOYSA-N 1 2 297.377 3.939 20 30 CHEDLO CN(c1ccc(C[N@@H+](C)CCC#N)cc1)c1ccccc1F ZINC001234222903 1130618558 /nfs/dbraw/zinc/61/85/58/1130618558.db2.gz ZXYCMFFTMOVDLP-UHFFFAOYSA-N 1 2 297.377 3.939 20 30 CHEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccccc2F)cc1 ZINC000812460975 1130694051 /nfs/dbraw/zinc/69/40/51/1130694051.db2.gz ZAHGOMPVLFTBOA-UHFFFAOYSA-N 1 2 296.349 3.622 20 30 CHEDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000781423002 1130716939 /nfs/dbraw/zinc/71/69/39/1130716939.db2.gz SHHBOMBYMYLPSE-GFCCVEGCSA-N 1 2 283.350 3.936 20 30 CHEDLO C[N@H+](CCC#N)Cc1cc(-c2ccsc2)cs1 ZINC001235175843 1130718556 /nfs/dbraw/zinc/71/85/56/1130718556.db2.gz JKVBJTWFXWPXAR-UHFFFAOYSA-N 1 2 262.403 3.822 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cc(-c2ccsc2)cs1 ZINC001235175843 1130718561 /nfs/dbraw/zinc/71/85/61/1130718561.db2.gz JKVBJTWFXWPXAR-UHFFFAOYSA-N 1 2 262.403 3.822 20 30 CHEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1 ZINC001235694543 1130769763 /nfs/dbraw/zinc/76/97/63/1130769763.db2.gz GGNLGMMHHYJZBZ-UHFFFAOYSA-N 1 2 295.361 3.890 20 30 CHEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1 ZINC001235694543 1130769769 /nfs/dbraw/zinc/76/97/69/1130769769.db2.gz GGNLGMMHHYJZBZ-UHFFFAOYSA-N 1 2 295.361 3.890 20 30 CHEDLO CS[C@@H](C/[NH+]=C/c1ccccc1O)C(C)(C)C ZINC000783682601 1130846571 /nfs/dbraw/zinc/84/65/71/1130846571.db2.gz XTRFMEIKADJQRB-NCPSJORJSA-N 1 2 251.395 3.589 20 30 CHEDLO CCOc1ccc(/C=[NH+]/C[C@@H](SC)C(C)(C)C)c(O)c1 ZINC000783681392 1130847328 /nfs/dbraw/zinc/84/73/28/1130847328.db2.gz FJBWJFLEBCSSKM-ZXMBATIKSA-N 1 2 295.448 3.988 20 30 CHEDLO O=C1c2ccccc2C/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783697812 1130847699 /nfs/dbraw/zinc/84/76/99/1130847699.db2.gz RKCIXVKMBHTGGT-JYRVWZFOSA-N 1 2 292.363 3.756 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000783697392 1130848541 /nfs/dbraw/zinc/84/85/41/1130848541.db2.gz PTXXRQKCRJTREV-SREVYHEPSA-N 1 2 280.352 3.830 20 30 CHEDLO Fc1ccccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783822860 1130855560 /nfs/dbraw/zinc/85/55/60/1130855560.db2.gz XCISPRIJCZRBEW-UHFFFAOYSA-N 1 2 286.335 3.519 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1cc(F)c(N)c(F)c1 ZINC000814686517 1130896039 /nfs/dbraw/zinc/89/60/39/1130896039.db2.gz KVDCXPDPIUWQHQ-UHFFFAOYSA-N 1 2 297.255 3.661 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C)nc1C ZINC000814841313 1130921935 /nfs/dbraw/zinc/92/19/35/1130921935.db2.gz LOGASGFPWKOFIX-UHFFFAOYSA-N 1 2 290.370 3.505 20 30 CHEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(F)c(F)c1F ZINC000814945772 1130944040 /nfs/dbraw/zinc/94/40/40/1130944040.db2.gz PGZXGEPIXRFVBE-UHFFFAOYSA-N 1 2 293.292 3.749 20 30 CHEDLO COc1ccc(C#N)cc1-c1cccc(-c2c[nH+]cn2C)c1 ZINC001236546749 1130970774 /nfs/dbraw/zinc/97/07/74/1130970774.db2.gz KWLSVKVMWNWDRU-UHFFFAOYSA-N 1 2 289.338 3.634 20 30 CHEDLO N#CC1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000799735781 1131106636 /nfs/dbraw/zinc/10/66/36/1131106636.db2.gz KWZGDRJQWQOYSJ-UHFFFAOYSA-N 1 2 296.773 3.604 20 30 CHEDLO C[N@H+](Cc1cccs1)Cc1cc(C#N)c(F)cc1F ZINC001237525574 1131110866 /nfs/dbraw/zinc/11/08/66/1131110866.db2.gz HCFGWKRGBIWNJG-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C[N@@H+](Cc1cccs1)Cc1cc(C#N)c(F)cc1F ZINC001237525574 1131110869 /nfs/dbraw/zinc/11/08/69/1131110869.db2.gz HCFGWKRGBIWNJG-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO N#Cc1cc(C[NH+]2CC3(C2)CCCCC3)c(F)cc1F ZINC001237530434 1131110926 /nfs/dbraw/zinc/11/09/26/1131110926.db2.gz OMAQCUALEZNAOO-UHFFFAOYSA-N 1 2 276.330 3.603 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)oc1C ZINC000799895793 1131113696 /nfs/dbraw/zinc/11/36/96/1131113696.db2.gz DQHKCXGNTSZZDJ-SREVYHEPSA-N 1 2 280.327 3.749 20 30 CHEDLO Cc1cc(C)c(C(=O)/C=C\c2cccc3[nH+]ccn32)c(O)c1 ZINC000799896535 1131113918 /nfs/dbraw/zinc/11/39/18/1131113918.db2.gz WEYVTCLOOIFNOO-SREVYHEPSA-N 1 2 292.338 3.553 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237995020 1131159556 /nfs/dbraw/zinc/15/95/56/1131159556.db2.gz DPQLETGMYQPNFC-UHFFFAOYSA-N 1 2 290.798 3.732 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237995020 1131159558 /nfs/dbraw/zinc/15/95/58/1131159558.db2.gz DPQLETGMYQPNFC-UHFFFAOYSA-N 1 2 290.798 3.732 20 30 CHEDLO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1O ZINC000818355100 1131210832 /nfs/dbraw/zinc/21/08/32/1131210832.db2.gz CBICDSZATFJABV-WDMOLILDSA-N 1 2 278.783 3.779 20 30 CHEDLO CC(C)(C)OC(=O)C(C)(C)CC/[NH+]=C\c1ccccc1O ZINC000818991747 1131223999 /nfs/dbraw/zinc/22/39/99/1131223999.db2.gz IVVZELLSKKDOHS-PDGQHHTCSA-N 1 2 291.391 3.569 20 30 CHEDLO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001238626582 1131224262 /nfs/dbraw/zinc/22/42/62/1131224262.db2.gz UTMBZDMAXCWMGR-INIZCTEOSA-N 1 2 291.398 3.793 20 30 CHEDLO Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001238626582 1131224267 /nfs/dbraw/zinc/22/42/67/1131224267.db2.gz UTMBZDMAXCWMGR-INIZCTEOSA-N 1 2 291.398 3.793 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(C)ccc1C(F)(F)F ZINC001143676161 1131524017 /nfs/dbraw/zinc/52/40/17/1131524017.db2.gz HBHWRAWAISPMRV-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(C)ccc1C(F)(F)F ZINC001143676161 1131524020 /nfs/dbraw/zinc/52/40/20/1131524020.db2.gz HBHWRAWAISPMRV-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO Cc1ccc2cc(C[NH+]3CCC(C#N)CC3)c(Cl)nc2c1 ZINC001138859554 1131555473 /nfs/dbraw/zinc/55/54/73/1131555473.db2.gz XHEUCUFDIGTKCI-UHFFFAOYSA-N 1 2 299.805 3.932 20 30 CHEDLO CC(C)Oc1ccc(Cl)cc1C[NH+]1CCC(C#N)CC1 ZINC001138957344 1131565222 /nfs/dbraw/zinc/56/52/22/1131565222.db2.gz BEIOTNVCOYRJOT-UHFFFAOYSA-N 1 2 292.810 3.863 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001139029109 1131574378 /nfs/dbraw/zinc/57/43/78/1131574378.db2.gz OISTUCLHQUUVLR-HNNXBMFYSA-N 1 2 299.336 3.821 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001139029109 1131574383 /nfs/dbraw/zinc/57/43/83/1131574383.db2.gz OISTUCLHQUUVLR-HNNXBMFYSA-N 1 2 299.336 3.821 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(-c2ccsc2)nc1 ZINC001139503415 1131611598 /nfs/dbraw/zinc/61/15/98/1131611598.db2.gz DJDHPAAPVFZSJW-UHFFFAOYSA-N 1 2 285.416 3.936 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccsc2)nc1 ZINC001139503415 1131611599 /nfs/dbraw/zinc/61/15/99/1131611599.db2.gz DJDHPAAPVFZSJW-UHFFFAOYSA-N 1 2 285.416 3.936 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139502698 1131611642 /nfs/dbraw/zinc/61/16/42/1131611642.db2.gz UBFPPDKGAJMCNF-INIZCTEOSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139502698 1131611645 /nfs/dbraw/zinc/61/16/45/1131611645.db2.gz UBFPPDKGAJMCNF-INIZCTEOSA-N 1 2 283.400 3.546 20 30 CHEDLO N#Cc1c(Cl)cccc1C[NH+]1CC2(C1)CCCCC2 ZINC001139693744 1131629711 /nfs/dbraw/zinc/62/97/11/1131629711.db2.gz QPDJUUDZMNKODA-UHFFFAOYSA-N 1 2 274.795 3.978 20 30 CHEDLO CCc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc1 ZINC001171181761 1131634350 /nfs/dbraw/zinc/63/43/50/1131634350.db2.gz BNKRYSDNJHREFM-UHFFFAOYSA-N 1 2 291.354 3.540 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccc(F)cc1F ZINC001139876376 1131645647 /nfs/dbraw/zinc/64/56/47/1131645647.db2.gz UUAGRIFPPCJUIZ-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccc(F)cc1F ZINC001139876376 1131645650 /nfs/dbraw/zinc/64/56/50/1131645650.db2.gz UUAGRIFPPCJUIZ-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCCC(F)(F)C1 ZINC001171204347 1131677661 /nfs/dbraw/zinc/67/76/61/1131677661.db2.gz WEJYOFYTNIJONZ-CYBMUJFWSA-N 1 2 278.346 3.610 20 30 CHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC(F)(F)C1 ZINC001171204347 1131677663 /nfs/dbraw/zinc/67/76/63/1131677663.db2.gz WEJYOFYTNIJONZ-CYBMUJFWSA-N 1 2 278.346 3.610 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1c(O)cccc1Cl ZINC001140344328 1131704742 /nfs/dbraw/zinc/70/47/42/1131704742.db2.gz HXAFIVFEVIRFIK-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1c(O)cccc1Cl ZINC001140344328 1131704746 /nfs/dbraw/zinc/70/47/46/1131704746.db2.gz HXAFIVFEVIRFIK-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO Cc1cc(C#N)ccc1NCCCCNc1cccc[nH+]1 ZINC000846747160 1131728136 /nfs/dbraw/zinc/72/81/36/1131728136.db2.gz AQLXARHGDUFVHQ-UHFFFAOYSA-N 1 2 280.375 3.566 20 30 CHEDLO C=C[C@](C)(CC)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835336682 1131820029 /nfs/dbraw/zinc/82/00/29/1131820029.db2.gz LAGTUMIUIXVARQ-GOSISDBHSA-N 1 2 298.386 3.691 20 30 CHEDLO Cc1[nH]c2ccc(O[C@H](C#N)c3cccc(F)c3)cc2[nH+]1 ZINC001228328454 1131858834 /nfs/dbraw/zinc/85/88/34/1131858834.db2.gz FPLMLWSRJLJMMB-MRXNPFEDSA-N 1 2 281.290 3.654 20 30 CHEDLO Cc1ccc2c(Nc3cnc(C#N)c(F)c3)cccc2[nH+]1 ZINC001203060565 1131893556 /nfs/dbraw/zinc/89/35/56/1131893556.db2.gz PYRSMTOKQYDIEN-UHFFFAOYSA-N 1 2 278.290 3.693 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cccc1CC#N ZINC001171370417 1131919213 /nfs/dbraw/zinc/91/92/13/1131919213.db2.gz UWDXOUFZROXBII-CQSZACIVSA-N 1 2 293.370 3.886 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807746 1131931683 /nfs/dbraw/zinc/93/16/83/1131931683.db2.gz DKLWMHZPOULABK-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807746 1131931685 /nfs/dbraw/zinc/93/16/85/1131931685.db2.gz DKLWMHZPOULABK-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118414 1132021676 /nfs/dbraw/zinc/02/16/76/1132021676.db2.gz XJLRPLHWGWSDSY-HNNXBMFYSA-N 1 2 295.361 3.623 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118414 1132021680 /nfs/dbraw/zinc/02/16/80/1132021680.db2.gz XJLRPLHWGWSDSY-HNNXBMFYSA-N 1 2 295.361 3.623 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC001141166698 1132034972 /nfs/dbraw/zinc/03/49/72/1132034972.db2.gz GPIFVQYIXXUBMZ-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC001141166698 1132034981 /nfs/dbraw/zinc/03/49/81/1132034981.db2.gz GPIFVQYIXXUBMZ-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172315239 1132156314 /nfs/dbraw/zinc/15/63/14/1132156314.db2.gz GKIKAHNBZPLKRX-HUUCEWRRSA-N 1 2 266.429 3.786 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172336733 1132175532 /nfs/dbraw/zinc/17/55/32/1132175532.db2.gz NWPISBCTQAXCFH-STQMWFEESA-N 1 2 253.361 3.867 20 30 CHEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001172354853 1132183863 /nfs/dbraw/zinc/18/38/63/1132183863.db2.gz KXHUDWSKXXIPDG-ZIAGYGMSSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001172354853 1132183865 /nfs/dbraw/zinc/18/38/65/1132183865.db2.gz KXHUDWSKXXIPDG-ZIAGYGMSSA-N 1 2 257.393 3.738 20 30 CHEDLO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@@H]([C@@H](C)CC)C1 ZINC000839528828 1132222496 /nfs/dbraw/zinc/22/24/96/1132222496.db2.gz RKDRHUNBRDLKBG-SMDDNHRTSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@@H]([C@@H](C)CC)C1 ZINC000839528828 1132222501 /nfs/dbraw/zinc/22/25/01/1132222501.db2.gz RKDRHUNBRDLKBG-SMDDNHRTSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H](C)CCOCC(C)C ZINC001172463203 1132243097 /nfs/dbraw/zinc/24/30/97/1132243097.db2.gz LBVVRMKJEGOYIM-ZDUSSCGKSA-N 1 2 253.361 3.724 20 30 CHEDLO C[C@@H](CC(C)(C)S)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083381 1132254115 /nfs/dbraw/zinc/25/41/15/1132254115.db2.gz JYGOLIGZTGKPSR-LBPRGKRZSA-N 1 2 290.432 3.953 20 30 CHEDLO C[C@@H]1C[C@H](C/[NH+]=C\c2c(O)ccc3ccccc32)[C@H](C)O1 ZINC000840712803 1132274780 /nfs/dbraw/zinc/27/47/80/1132274780.db2.gz MEFITFGWQZRWDX-VAKVPFLQSA-N 1 2 283.371 3.778 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212695449 1132372979 /nfs/dbraw/zinc/37/29/79/1132372979.db2.gz IHZUMMDQGJTUMH-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C#N ZINC001142372316 1132377803 /nfs/dbraw/zinc/37/78/03/1132377803.db2.gz ZYLAGWBLOAEDJW-HNNXBMFYSA-N 1 2 250.345 3.636 20 30 CHEDLO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1C#N ZINC001142372316 1132377812 /nfs/dbraw/zinc/37/78/12/1132377812.db2.gz ZYLAGWBLOAEDJW-HNNXBMFYSA-N 1 2 250.345 3.636 20 30 CHEDLO N#CCC[N@@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC001231912188 1132399661 /nfs/dbraw/zinc/39/96/61/1132399661.db2.gz YBSUMUGLLJHTBW-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO N#CCC[N@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC001231912188 1132399667 /nfs/dbraw/zinc/39/96/67/1132399667.db2.gz YBSUMUGLLJHTBW-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001232612828 1132493200 /nfs/dbraw/zinc/49/32/00/1132493200.db2.gz PDXPJQHPJQXUGI-ZDUSSCGKSA-N 1 2 256.374 3.637 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001232612828 1132493205 /nfs/dbraw/zinc/49/32/05/1132493205.db2.gz PDXPJQHPJQXUGI-ZDUSSCGKSA-N 1 2 256.374 3.637 20 30 CHEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001143370993 1132538764 /nfs/dbraw/zinc/53/87/64/1132538764.db2.gz AJHSCJIRUDJXER-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001143370993 1132538771 /nfs/dbraw/zinc/53/87/71/1132538771.db2.gz AJHSCJIRUDJXER-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cnc(Cl)s1 ZINC001233080170 1132570347 /nfs/dbraw/zinc/57/03/47/1132570347.db2.gz FWIDOVQZLBAHGX-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001233080170 1132570353 /nfs/dbraw/zinc/57/03/53/1132570353.db2.gz FWIDOVQZLBAHGX-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445135 1132626383 /nfs/dbraw/zinc/62/63/83/1132626383.db2.gz SBKXGCREGWYLJI-ZDUSSCGKSA-N 1 2 285.778 3.624 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445135 1132626385 /nfs/dbraw/zinc/62/63/85/1132626385.db2.gz SBKXGCREGWYLJI-ZDUSSCGKSA-N 1 2 285.778 3.624 20 30 CHEDLO O=C1C=C(Nc2[nH+]cnc3c2ccn3C2CCCC2)CCC1 ZINC001155708681 1132663812 /nfs/dbraw/zinc/66/38/12/1132663812.db2.gz VICMJXCPRXHTJE-UHFFFAOYSA-N 1 2 296.374 3.595 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3cncc(C#N)c3)ccc21 ZINC001174380905 1132829562 /nfs/dbraw/zinc/82/95/62/1132829562.db2.gz PGSQTDDVSMVVPO-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1cc[nH+]c2[nH]ccc21 ZINC001174411459 1132849953 /nfs/dbraw/zinc/84/99/53/1132849953.db2.gz ZPIRVIJYVHLFFG-UHFFFAOYSA-N 1 2 262.316 3.692 20 30 CHEDLO N#CCc1cc[nH+]c(N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001159772398 1132906435 /nfs/dbraw/zinc/90/64/35/1132906435.db2.gz LJPUEMSKQXUMDV-AWEZNQCLSA-N 1 2 291.276 3.863 20 30 CHEDLO N#Cc1ccc(Cl)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213031528 1132996542 /nfs/dbraw/zinc/99/65/42/1132996542.db2.gz DPKTUNIUWYXTNV-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO N#Cc1c(Cl)cccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032806 1133001864 /nfs/dbraw/zinc/00/18/64/1133001864.db2.gz YTBPATJZZBEBKF-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NC3CC4(CCC4)C3)c2c1 ZINC001161446703 1133002708 /nfs/dbraw/zinc/00/27/08/1133002708.db2.gz QLCHTQHZJBIRRS-UHFFFAOYSA-N 1 2 263.344 3.851 20 30 CHEDLO C[C@H]1CCCC[C@H]1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162527959 1133089201 /nfs/dbraw/zinc/08/92/01/1133089201.db2.gz ZSAMSRBLMCUJPX-KBPBESRZSA-N 1 2 269.392 3.875 20 30 CHEDLO CC(C)(C)C(=[NH2+])Nc1nc(C(C)(C)C)ccc1C#N ZINC001162661119 1133102035 /nfs/dbraw/zinc/10/20/35/1133102035.db2.gz AIWAERCCLBPGAE-UHFFFAOYSA-N 1 2 258.369 3.686 20 30 CHEDLO N#CCc1cc[nH+]c(N[C@H]2CCc3c2c(F)ccc3F)c1 ZINC001162933350 1133123146 /nfs/dbraw/zinc/12/31/46/1133123146.db2.gz YLUMPZKPKNDAEV-AWEZNQCLSA-N 1 2 285.297 3.525 20 30 CHEDLO CCSc1cc[nH+]c(N2CCc3cc(C#N)ccc3C2)c1 ZINC001164484448 1133221202 /nfs/dbraw/zinc/22/12/02/1133221202.db2.gz HNAMPSAYIMIRIG-UHFFFAOYSA-N 1 2 295.411 3.628 20 30 CHEDLO Cc1cc(NC(C)(C)c2ccc(C#N)cc2)c[nH+]c1C ZINC001165752652 1133250715 /nfs/dbraw/zinc/25/07/15/1133250715.db2.gz DNMDBXFBTYCONW-UHFFFAOYSA-N 1 2 265.360 3.917 20 30 CHEDLO Cc1cn2c(cccc2NC=Cc2ccc(C#N)cc2)[nH+]1 ZINC001203299453 1133312179 /nfs/dbraw/zinc/31/21/79/1133312179.db2.gz NMTOHHHENSBVON-MDZDMXLPSA-N 1 2 274.327 3.597 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(C#N)cc2F)c(C)[nH+]1 ZINC001203373421 1133319958 /nfs/dbraw/zinc/31/99/58/1133319958.db2.gz NAUVMRXQROLIAQ-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)ccc1C#N ZINC001203426971 1133326918 /nfs/dbraw/zinc/32/69/18/1133326918.db2.gz CBMWFOWFJLBWDO-QGZVFWFLSA-N 1 2 286.325 3.806 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C)CC#N)o1 ZINC001203521566 1133336394 /nfs/dbraw/zinc/33/63/94/1133336394.db2.gz HJQDFNCJNHPYTD-LBPRGKRZSA-N 1 2 272.323 3.786 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203963047 1133390424 /nfs/dbraw/zinc/39/04/24/1133390424.db2.gz WRNALFPIAHLNRY-SFHVURJKSA-N 1 2 292.382 3.611 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203963047 1133390431 /nfs/dbraw/zinc/39/04/31/1133390431.db2.gz WRNALFPIAHLNRY-SFHVURJKSA-N 1 2 292.382 3.611 20 30 CHEDLO CCOc1ccc(Cl)cc1C[N@H+](CCC#N)CC1CC1 ZINC001204496980 1133453778 /nfs/dbraw/zinc/45/37/78/1133453778.db2.gz LBNWLGQUUZZWHU-UHFFFAOYSA-N 1 2 292.810 3.864 20 30 CHEDLO CCOc1ccc(Cl)cc1C[N@@H+](CCC#N)CC1CC1 ZINC001204496980 1133453780 /nfs/dbraw/zinc/45/37/80/1133453780.db2.gz LBNWLGQUUZZWHU-UHFFFAOYSA-N 1 2 292.810 3.864 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204485838 1133454051 /nfs/dbraw/zinc/45/40/51/1133454051.db2.gz ZPKVWKFQOSLARY-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccoc1C)Cc1ccccc1F ZINC001204737736 1133481133 /nfs/dbraw/zinc/48/11/33/1133481133.db2.gz XHFJNOGAWSKXKE-UHFFFAOYSA-N 1 2 259.324 3.915 20 30 CHEDLO C=CC[N@H+](Cc1ccoc1C)Cc1ccccc1F ZINC001204737736 1133481135 /nfs/dbraw/zinc/48/11/35/1133481135.db2.gz XHFJNOGAWSKXKE-UHFFFAOYSA-N 1 2 259.324 3.915 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@@H+](C)C[C@@H](C)C#N)cc1C ZINC001204826545 1133490221 /nfs/dbraw/zinc/49/02/21/1133490221.db2.gz LXAVBKPQRKLAIL-FWWRYZNZSA-N 1 2 256.393 3.717 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@H+](C)C[C@@H](C)C#N)cc1C ZINC001204826545 1133490223 /nfs/dbraw/zinc/49/02/23/1133490223.db2.gz LXAVBKPQRKLAIL-FWWRYZNZSA-N 1 2 256.393 3.717 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)ccc1C#N ZINC001207326823 1133791303 /nfs/dbraw/zinc/79/13/03/1133791303.db2.gz URYQRJVITOODSG-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3cc(F)c(F)cc3C2)ccc1C#N ZINC001207326823 1133791308 /nfs/dbraw/zinc/79/13/08/1133791308.db2.gz URYQRJVITOODSG-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CCCC[N@@H+](CC#N)CCC(C)(C)c1ccccc1 ZINC001208668948 1133926090 /nfs/dbraw/zinc/92/60/90/1133926090.db2.gz DJXNQPYNYFARMZ-UHFFFAOYSA-N 1 2 258.409 3.980 20 30 CHEDLO N#Cc1cccc(CCC[N@H+]2CCC[C@H](F)C(F)(F)C2)c1 ZINC001208843888 1133951622 /nfs/dbraw/zinc/95/16/22/1133951622.db2.gz AJKASFJNUDSXMI-HNNXBMFYSA-N 1 2 296.336 3.560 20 30 CHEDLO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](F)C(F)(F)C2)c1 ZINC001208843888 1133951625 /nfs/dbraw/zinc/95/16/25/1133951625.db2.gz AJKASFJNUDSXMI-HNNXBMFYSA-N 1 2 296.336 3.560 20 30 CHEDLO Cc1cc(Nc2cc(F)cc(C#N)c2)ccc1[NH+](C)C ZINC001210041006 1134130998 /nfs/dbraw/zinc/13/09/98/1134130998.db2.gz FNTVVXSYAHHLBE-UHFFFAOYSA-N 1 2 269.323 3.815 20 30 CHEDLO N#Cc1cc(Nc2ccc3c[nH+]ccc3c2)c(O)cc1F ZINC001210052630 1134137474 /nfs/dbraw/zinc/13/74/74/1134137474.db2.gz QNYQQAIFXWIWKU-UHFFFAOYSA-N 1 2 279.274 3.695 20 30 CHEDLO COc1cccc(C#N)c1Nc1cccc2cc[nH+]cc21 ZINC001210231490 1134173890 /nfs/dbraw/zinc/17/38/90/1134173890.db2.gz SWUNIPBDHAMTMC-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO N#Cc1ccc(Nc2cccc3cc[nH+]cc32)c(C#N)c1 ZINC001210233127 1134175084 /nfs/dbraw/zinc/17/50/84/1134175084.db2.gz STCOANQSCHSTTN-UHFFFAOYSA-N 1 2 270.295 3.722 20 30 CHEDLO Cc1[nH+]cc(Nc2c(C#N)cccc2C(F)(F)F)cc1N ZINC001210290543 1134186590 /nfs/dbraw/zinc/18/65/90/1134186590.db2.gz NLDCUDLRAPNPOC-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(Cl)c(C#N)c2Cl)cc1N ZINC001210294556 1134187486 /nfs/dbraw/zinc/18/74/86/1134187486.db2.gz ZZILADSCWPAPDH-UHFFFAOYSA-N 1 2 293.157 3.894 20 30 CHEDLO Cc1[nH+]cc(Nc2cccc(C(C)(C)C#N)c2)cc1N ZINC001210291251 1134187746 /nfs/dbraw/zinc/18/77/46/1134187746.db2.gz WRUOPJARERSALG-UHFFFAOYSA-N 1 2 266.348 3.517 20 30 CHEDLO COc1cc(Nc2sc(C)c(C)c2C#N)cc(C)[nH+]1 ZINC001210777210 1134294015 /nfs/dbraw/zinc/29/40/15/1134294015.db2.gz WSJYKAQTYLLTSE-UHFFFAOYSA-N 1 2 273.361 3.692 20 30 CHEDLO Cc1cn2cccc(Nc3ccc(C#N)c(C)c3)c2[nH+]1 ZINC001210806144 1134299668 /nfs/dbraw/zinc/29/96/68/1134299668.db2.gz RKARCFLQSNIZKL-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO N#CCc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213088781 1134424475 /nfs/dbraw/zinc/42/44/75/1134424475.db2.gz DCFITSSNGGFFPX-UHFFFAOYSA-N 1 2 274.327 3.886 20 30 CHEDLO COc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C#N)c1 ZINC001213089190 1134425737 /nfs/dbraw/zinc/42/57/37/1134425737.db2.gz YFUOFYCSMCLSFD-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO Cc1nc(C#N)ccc1Nc1cc(C2CC2)c[nH+]c1C ZINC001213495174 1134453591 /nfs/dbraw/zinc/45/35/91/1134453591.db2.gz UPNPUBJEFLEDOX-UHFFFAOYSA-N 1 2 264.332 3.586 20 30 CHEDLO Cc1ncc(C#N)cc1Nc1cc(C2CC2)c[nH+]c1C ZINC001213495004 1134454299 /nfs/dbraw/zinc/45/42/99/1134454299.db2.gz PCEJYOLJMUEXLC-UHFFFAOYSA-N 1 2 264.332 3.586 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1c(C#N)cccc1C#N ZINC001213497468 1134455532 /nfs/dbraw/zinc/45/55/32/1134455532.db2.gz QNYILLWKZUJYCQ-UHFFFAOYSA-N 1 2 274.327 3.754 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(O)c(C#N)c1 ZINC001213500899 1134456571 /nfs/dbraw/zinc/45/65/71/1134456571.db2.gz BTVKCWPWSKDXBA-UHFFFAOYSA-N 1 2 265.316 3.588 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(C#N)c3ncccc23)c[nH+]1 ZINC001213520968 1134459539 /nfs/dbraw/zinc/45/95/39/1134459539.db2.gz NAIUMNWDJNSBLU-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO Cc1c[nH+]cc(Nc2nc(C(F)(F)F)ccc2C#N)c1C ZINC001213527524 1134460713 /nfs/dbraw/zinc/46/07/13/1134460713.db2.gz QSZLAHIHFHTSSP-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(C#N)cc2F)c1C ZINC001213530514 1134461572 /nfs/dbraw/zinc/46/15/72/1134461572.db2.gz DJXGWHQNNVPBCB-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(C#N)cc2Cl)c1C ZINC001213528870 1134461591 /nfs/dbraw/zinc/46/15/91/1134461591.db2.gz PAHHUOXKCHXUBT-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c(C#N)cccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001216174038 1134794562 /nfs/dbraw/zinc/79/45/62/1134794562.db2.gz AXZQMPCLHZSVIT-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO CCC1CCC([NH2+]c2ccc(OCC#N)cc2)CC1 ZINC000020126404 171010669 /nfs/dbraw/zinc/01/06/69/171010669.db2.gz FLTPKMWRBGQSSD-UHFFFAOYSA-N 1 2 258.365 3.970 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2cccs2)n1 ZINC000072103223 176316151 /nfs/dbraw/zinc/31/61/51/176316151.db2.gz ZERNFBQNMBVOLH-UHFFFAOYSA-N 1 2 260.362 3.577 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000072181328 176334560 /nfs/dbraw/zinc/33/45/60/176334560.db2.gz LBZGSUGVSLAEIF-UHFFFAOYSA-N 1 2 272.323 3.655 20 30 CHEDLO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3)o2)n1 ZINC000352838391 227315465 /nfs/dbraw/zinc/31/54/65/227315465.db2.gz DUGDSOHYNQLOMY-UHFFFAOYSA-N 1 2 295.367 3.565 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000297937507 260138087 /nfs/dbraw/zinc/13/80/87/260138087.db2.gz RQVZGLBTENMLLZ-CQSZACIVSA-N 1 2 283.375 3.780 20 30 CHEDLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(C#N)cc1 ZINC000079044646 260174091 /nfs/dbraw/zinc/17/40/91/260174091.db2.gz PUFVPYGMUDXNOM-LBPRGKRZSA-N 1 2 276.343 3.618 20 30 CHEDLO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1noc(C)n1 ZINC000299224913 260175449 /nfs/dbraw/zinc/17/54/49/260175449.db2.gz IVZCMHZBIYXSHL-LBPRGKRZSA-N 1 2 263.385 3.507 20 30 CHEDLO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1noc(C)n1 ZINC000299224913 260175450 /nfs/dbraw/zinc/17/54/50/260175450.db2.gz IVZCMHZBIYXSHL-LBPRGKRZSA-N 1 2 263.385 3.507 20 30 CHEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(F)c1F ZINC000121951824 260261728 /nfs/dbraw/zinc/26/17/28/260261728.db2.gz KQVSVQOQGBEQNA-NSHDSACASA-N 1 2 272.298 3.687 20 30 CHEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000154234277 261089314 /nfs/dbraw/zinc/08/93/14/261089314.db2.gz VQHJXYNTPSJJGW-STBIIMGESA-N 1 2 281.355 3.731 20 30 CHEDLO N#CC[N@H+](Cc1cccc2ccoc21)C1CCCC1 ZINC000449026772 261109883 /nfs/dbraw/zinc/10/98/83/261109883.db2.gz GWHYZVRGDNKFKD-UHFFFAOYSA-N 1 2 254.333 3.701 20 30 CHEDLO N#CC[N@@H+](Cc1cccc2ccoc21)C1CCCC1 ZINC000449026772 261109885 /nfs/dbraw/zinc/10/98/85/261109885.db2.gz GWHYZVRGDNKFKD-UHFFFAOYSA-N 1 2 254.333 3.701 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000156748864 261131200 /nfs/dbraw/zinc/13/12/00/261131200.db2.gz BLQOCZXTPNVZIK-UHFFFAOYSA-N 1 2 280.318 3.556 20 30 CHEDLO N#CC[N@H+](Cc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000156748864 261131201 /nfs/dbraw/zinc/13/12/01/261131201.db2.gz BLQOCZXTPNVZIK-UHFFFAOYSA-N 1 2 280.318 3.556 20 30 CHEDLO Cc1csc(C2([NH2+]Cc3ccccc3C#N)CCCC2)n1 ZINC000175017281 261591825 /nfs/dbraw/zinc/59/18/25/261591825.db2.gz PUMOSVGHAXZGKS-UHFFFAOYSA-N 1 2 297.427 3.882 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000184081639 262007296 /nfs/dbraw/zinc/00/72/96/262007296.db2.gz DFOOENDTFOXQGE-NSHDSACASA-N 1 2 277.418 3.653 20 30 CHEDLO CCCOc1cccc2c(N3CCC(C#N)CC3)cc[nH+]c12 ZINC000194708917 262241501 /nfs/dbraw/zinc/24/15/01/262241501.db2.gz OKYMWZNCRJQFSR-UHFFFAOYSA-N 1 2 295.386 3.764 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000274213895 263022015 /nfs/dbraw/zinc/02/20/15/263022015.db2.gz OGEJSRAOABCDNJ-KBPBESRZSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000274213895 263022016 /nfs/dbraw/zinc/02/20/16/263022016.db2.gz OGEJSRAOABCDNJ-KBPBESRZSA-N 1 2 257.381 3.555 20 30 CHEDLO C#CCC1(c2nc(Cc3ccc(C)[nH+]c3)no2)CCCCC1 ZINC000289126844 263107662 /nfs/dbraw/zinc/10/76/62/263107662.db2.gz MZMJFRYINHEJFE-UHFFFAOYSA-N 1 2 295.386 3.589 20 30 CHEDLO Cc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)no1 ZINC000290766258 263118622 /nfs/dbraw/zinc/11/86/22/263118622.db2.gz RXJIDJKLGFINQJ-HIFRSBDPSA-N 1 2 269.348 3.679 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000292133294 263128861 /nfs/dbraw/zinc/12/88/61/263128861.db2.gz IXCRHOUANIGQBS-UHFFFAOYSA-N 1 2 285.778 3.790 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000292133294 263128862 /nfs/dbraw/zinc/12/88/62/263128862.db2.gz IXCRHOUANIGQBS-UHFFFAOYSA-N 1 2 285.778 3.790 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000121322438 263292264 /nfs/dbraw/zinc/29/22/64/263292264.db2.gz WSECVTQQQUFCSI-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000121322438 263292266 /nfs/dbraw/zinc/29/22/66/263292266.db2.gz WSECVTQQQUFCSI-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO CC(C)(C#N)CCSCc1[nH+]ccn1CC(F)(F)F ZINC000341895229 263366525 /nfs/dbraw/zinc/36/65/25/263366525.db2.gz ZDMIVLSYNJBAKA-UHFFFAOYSA-N 1 2 291.342 3.618 20 30 CHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Cl)o1 ZINC000341983489 263370667 /nfs/dbraw/zinc/37/06/67/263370667.db2.gz MYCIUXGKBZZLKP-UHFFFAOYSA-N 1 2 291.738 3.623 20 30 CHEDLO COC(C)(C)C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331306487 264201485 /nfs/dbraw/zinc/20/14/85/264201485.db2.gz GFJFNOOYQNAAAN-LBPRGKRZSA-N 1 2 293.411 3.536 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C)no1)Cc1ccc(Cl)s1 ZINC000053399627 264204099 /nfs/dbraw/zinc/20/40/99/264204099.db2.gz AMWCCBGZNUDECH-UHFFFAOYSA-N 1 2 282.796 3.886 20 30 CHEDLO C=CC[N@H+](Cc1cc(C)no1)Cc1ccc(Cl)s1 ZINC000053399627 264204106 /nfs/dbraw/zinc/20/41/06/264204106.db2.gz AMWCCBGZNUDECH-UHFFFAOYSA-N 1 2 282.796 3.886 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nc(C(C)C)no1)c1ccccc1 ZINC000180039130 264389865 /nfs/dbraw/zinc/38/98/65/264389865.db2.gz SHPPSRBMPCJBSE-OAHLLOKOSA-N 1 2 285.391 3.990 20 30 CHEDLO Clc1ccccc1C#CC[N@H+](Cc1ccccn1)C1CC1 ZINC000357617380 266336847 /nfs/dbraw/zinc/33/68/47/266336847.db2.gz PEOQTNVBLMBNDW-UHFFFAOYSA-N 1 2 296.801 3.751 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000357617380 266336848 /nfs/dbraw/zinc/33/68/48/266336848.db2.gz PEOQTNVBLMBNDW-UHFFFAOYSA-N 1 2 296.801 3.751 20 30 CHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC000369804848 267268203 /nfs/dbraw/zinc/26/82/03/267268203.db2.gz YCWKFAHZWNMBHX-KBPBESRZSA-N 1 2 282.309 3.711 20 30 CHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000369804848 267268207 /nfs/dbraw/zinc/26/82/07/267268207.db2.gz YCWKFAHZWNMBHX-KBPBESRZSA-N 1 2 282.309 3.711 20 30 CHEDLO Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc[nH+]1 ZINC000119452134 267336546 /nfs/dbraw/zinc/33/65/46/267336546.db2.gz NQFHLMSJQCUCCJ-MRXNPFEDSA-N 1 2 294.358 3.557 20 30 CHEDLO Cc1ncc(C[N@H+](C)CC#Cc2cccc(Cl)c2)s1 ZINC000178918063 329203099 /nfs/dbraw/zinc/20/30/99/329203099.db2.gz NAASFKNKTRKKRL-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ncc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)s1 ZINC000178918063 329203100 /nfs/dbraw/zinc/20/31/00/329203100.db2.gz NAASFKNKTRKKRL-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000535077113 328384708 /nfs/dbraw/zinc/38/47/08/328384708.db2.gz PZTXILPIQBGPTR-UHFFFAOYSA-N 1 2 299.187 3.712 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000535077113 328384709 /nfs/dbraw/zinc/38/47/09/328384709.db2.gz PZTXILPIQBGPTR-UHFFFAOYSA-N 1 2 299.187 3.712 20 30 CHEDLO CCC[N@@H+](CC#N)CCCSCc1ccccc1 ZINC000090549777 327179394 /nfs/dbraw/zinc/17/93/94/327179394.db2.gz MSEHSEXXVBGCQO-UHFFFAOYSA-N 1 2 262.422 3.545 20 30 CHEDLO CCC[N@H+](CC#N)CCCSCc1ccccc1 ZINC000090549777 327179395 /nfs/dbraw/zinc/17/93/95/327179395.db2.gz MSEHSEXXVBGCQO-UHFFFAOYSA-N 1 2 262.422 3.545 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000577409454 327260656 /nfs/dbraw/zinc/26/06/56/327260656.db2.gz XZCRFVMESGTOBB-NSHDSACASA-N 1 2 289.379 3.731 20 30 CHEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 ZINC000570662550 327609231 /nfs/dbraw/zinc/60/92/31/327609231.db2.gz MKAHLEICJRUSHV-PBHICJAKSA-N 1 2 294.402 3.525 20 30 CHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC000582189235 328621779 /nfs/dbraw/zinc/62/17/79/328621779.db2.gz JXLFUEPEJXUPFX-UWVGGRQHSA-N 1 2 254.736 3.822 20 30 CHEDLO C=C(CC)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000358654504 328889584 /nfs/dbraw/zinc/88/95/84/328889584.db2.gz KBNNUBDSJHPKMS-UHFFFAOYSA-N 1 2 279.387 3.980 20 30 CHEDLO CCCCCCCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000378108266 329040285 /nfs/dbraw/zinc/04/02/85/329040285.db2.gz LZXMYGJUFWKXGD-UHFFFAOYSA-N 1 2 291.439 3.756 20 30 CHEDLO C[C@@H](c1cccc2ccccc21)[NH+]1CC(C)(C#N)C1 ZINC000582673895 329123223 /nfs/dbraw/zinc/12/32/23/329123223.db2.gz HEAOHOXJGSVGNC-ZDUSSCGKSA-N 1 2 250.345 3.746 20 30 CHEDLO C=CCCCCCN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000172465354 329135489 /nfs/dbraw/zinc/13/54/89/329135489.db2.gz JLXZJNFRFZQGDQ-UHFFFAOYSA-N 1 2 299.418 3.550 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(F)c1F ZINC000173542649 329148826 /nfs/dbraw/zinc/14/88/26/329148826.db2.gz ZXFXYBSNOSHSIT-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(F)c1F ZINC000173542649 329148827 /nfs/dbraw/zinc/14/88/27/329148827.db2.gz ZXFXYBSNOSHSIT-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO N#Cc1ccc(NCCCNc2cccc[nH+]2)cc1Cl ZINC000180410217 329215991 /nfs/dbraw/zinc/21/59/91/329215991.db2.gz HMLKKCOBZXUEEP-UHFFFAOYSA-N 1 2 286.766 3.521 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000583033032 329305535 /nfs/dbraw/zinc/30/55/35/329305535.db2.gz AWZKRHIWHKCAEC-RISCZKNCSA-N 1 2 252.308 3.698 20 30 CHEDLO Cc1ccc(CSc2ccccc2C#N)c(C)[nH+]1 ZINC000186622353 329346807 /nfs/dbraw/zinc/34/68/07/329346807.db2.gz AVYKBVLQUFJZBN-UHFFFAOYSA-N 1 2 254.358 3.862 20 30 CHEDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187193547 329354398 /nfs/dbraw/zinc/35/43/98/329354398.db2.gz GRCAOUHMISKBRR-QGZVFWFLSA-N 1 2 299.805 3.887 20 30 CHEDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187193547 329354399 /nfs/dbraw/zinc/35/43/99/329354399.db2.gz GRCAOUHMISKBRR-QGZVFWFLSA-N 1 2 299.805 3.887 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1nccs1)c1ccc(F)c(F)c1 ZINC000187369210 329355761 /nfs/dbraw/zinc/35/57/61/329355761.db2.gz KUNUYLQMOXOSQV-CQSZACIVSA-N 1 2 280.343 3.828 20 30 CHEDLO Cc1cc(N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(C#N)c[nH+]1 ZINC000425250190 329650464 /nfs/dbraw/zinc/65/04/64/329650464.db2.gz CWWRMOWWWAMDBI-CYBMUJFWSA-N 1 2 297.324 3.677 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1F ZINC000510088736 332891736 /nfs/dbraw/zinc/89/17/36/332891736.db2.gz UBTFJDUKEPLUPU-UHFFFAOYSA-N 1 2 282.309 3.755 20 30 CHEDLO C=C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000264423017 330061534 /nfs/dbraw/zinc/06/15/34/330061534.db2.gz APMZRWLOJLGKPU-UHFFFAOYSA-N 1 2 260.362 3.555 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000264505851 330061839 /nfs/dbraw/zinc/06/18/39/330061839.db2.gz WNYWFZSRJBTJPW-UHFFFAOYSA-N 1 2 284.359 3.502 20 30 CHEDLO C=C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000266713902 330064094 /nfs/dbraw/zinc/06/40/94/330064094.db2.gz FNOMGPYRGSDWAS-UHFFFAOYSA-N 1 2 277.318 3.583 20 30 CHEDLO C=C1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000267999604 330065341 /nfs/dbraw/zinc/06/53/41/330065341.db2.gz MMIWQKYHHBOFQB-UHFFFAOYSA-N 1 2 250.411 3.593 20 30 CHEDLO C=CC[N@H+](Cc1csc(-c2ccoc2)n1)C1CC1 ZINC000271340745 330079323 /nfs/dbraw/zinc/07/93/23/330079323.db2.gz BYUCYQCVFBLIIV-UHFFFAOYSA-N 1 2 260.362 3.554 20 30 CHEDLO C=CC[N@@H+](Cc1csc(-c2ccoc2)n1)C1CC1 ZINC000271340745 330079324 /nfs/dbraw/zinc/07/93/24/330079324.db2.gz BYUCYQCVFBLIIV-UHFFFAOYSA-N 1 2 260.362 3.554 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000533282135 330356463 /nfs/dbraw/zinc/35/64/63/330356463.db2.gz RNRFIYLCQREJGV-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1c(F)cccc1F ZINC000537026078 330385520 /nfs/dbraw/zinc/38/55/20/330385520.db2.gz TXLXVWYORDWMHW-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459350145 331277560 /nfs/dbraw/zinc/27/75/60/331277560.db2.gz YGDXUBLENAHIKH-UHFFFAOYSA-N 1 2 287.363 3.645 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459350145 331277561 /nfs/dbraw/zinc/27/75/61/331277561.db2.gz YGDXUBLENAHIKH-UHFFFAOYSA-N 1 2 287.363 3.645 20 30 CHEDLO C=CCC[C@@H](CCC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000463290851 331345438 /nfs/dbraw/zinc/34/54/38/331345438.db2.gz LLGYRVLIQDXRSZ-CVEARBPZSA-N 1 2 275.392 3.625 20 30 CHEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000489104624 332041444 /nfs/dbraw/zinc/04/14/44/332041444.db2.gz ROLYBTWUSSBNTA-NSHDSACASA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000489104624 332041445 /nfs/dbraw/zinc/04/14/45/332041445.db2.gz ROLYBTWUSSBNTA-NSHDSACASA-N 1 2 271.389 3.516 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489233639 332044096 /nfs/dbraw/zinc/04/40/96/332044096.db2.gz HLRHBYBKKIATBL-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489233639 332044098 /nfs/dbraw/zinc/04/40/98/332044098.db2.gz HLRHBYBKKIATBL-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000489437362 332052314 /nfs/dbraw/zinc/05/23/14/332052314.db2.gz OFPWDCGQIVCEQH-HNNXBMFYSA-N 1 2 260.768 3.752 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000489437362 332052316 /nfs/dbraw/zinc/05/23/16/332052316.db2.gz OFPWDCGQIVCEQH-HNNXBMFYSA-N 1 2 260.768 3.752 20 30 CHEDLO C#CC[N@@H+](Cc1csc([C@H](C)OC)n1)C1CCCCC1 ZINC000490778727 332114725 /nfs/dbraw/zinc/11/47/25/332114725.db2.gz JWSWCUMPVAKFFO-ZDUSSCGKSA-N 1 2 292.448 3.618 20 30 CHEDLO C#CC[N@H+](Cc1csc([C@H](C)OC)n1)C1CCCCC1 ZINC000490778727 332114726 /nfs/dbraw/zinc/11/47/26/332114726.db2.gz JWSWCUMPVAKFFO-ZDUSSCGKSA-N 1 2 292.448 3.618 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C)nc1)c1ccc(Cl)cc1F ZINC000491405177 332205657 /nfs/dbraw/zinc/20/56/57/332205657.db2.gz HGIFCOVNNDEXCR-INIZCTEOSA-N 1 2 288.753 3.647 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccnc1C)c1ccc(Cl)cc1F ZINC000491626200 332249849 /nfs/dbraw/zinc/24/98/49/332249849.db2.gz IIDQJGOUWFLENO-INIZCTEOSA-N 1 2 288.753 3.647 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000513449251 333020235 /nfs/dbraw/zinc/02/02/35/333020235.db2.gz ZDEODTRMPSJPSE-UHFFFAOYSA-N 1 2 266.182 3.601 20 30 CHEDLO C=C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000513456897 333020706 /nfs/dbraw/zinc/02/07/06/333020706.db2.gz SRQTWDCMHDEGRB-UHFFFAOYSA-N 1 2 271.282 3.737 20 30 CHEDLO N#CC[N@H+](Cc1ccc(OCC2CC2)cc1)C1CCCC1 ZINC000191386264 333219112 /nfs/dbraw/zinc/21/91/12/333219112.db2.gz JYBNZYVDQGXOGM-UHFFFAOYSA-N 1 2 284.403 3.744 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CCCC1 ZINC000191386264 333219114 /nfs/dbraw/zinc/21/91/14/333219114.db2.gz JYBNZYVDQGXOGM-UHFFFAOYSA-N 1 2 284.403 3.744 20 30 CHEDLO C=CCCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000193371862 333248828 /nfs/dbraw/zinc/24/88/28/333248828.db2.gz KUHAXINPHNOCNM-UHFFFAOYSA-N 1 2 257.381 3.544 20 30 CHEDLO C=CCCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000193371862 333248830 /nfs/dbraw/zinc/24/88/30/333248830.db2.gz KUHAXINPHNOCNM-UHFFFAOYSA-N 1 2 257.381 3.544 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cc(Cl)ccc2F)c1 ZINC000547342760 334081742 /nfs/dbraw/zinc/08/17/42/334081742.db2.gz SHGSNBNNCKSQHG-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000135173736 334118808 /nfs/dbraw/zinc/11/88/08/334118808.db2.gz BNSGONHHLUBEHG-KRWDZBQOSA-N 1 2 284.790 3.857 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000135173736 334118809 /nfs/dbraw/zinc/11/88/09/334118809.db2.gz BNSGONHHLUBEHG-KRWDZBQOSA-N 1 2 284.790 3.857 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cc(F)cc(Cl)c2)c1 ZINC000547950970 334130883 /nfs/dbraw/zinc/13/08/83/334130883.db2.gz GHAKVPYQVVEVQV-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1nc(C)cs1 ZINC000081645811 334201569 /nfs/dbraw/zinc/20/15/69/334201569.db2.gz OVMNTVARZHCAHA-UHFFFAOYSA-N 1 2 264.419 3.701 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc(C)cs1 ZINC000081645811 334201570 /nfs/dbraw/zinc/20/15/70/334201570.db2.gz OVMNTVARZHCAHA-UHFFFAOYSA-N 1 2 264.419 3.701 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695073 334201782 /nfs/dbraw/zinc/20/17/82/334201782.db2.gz XKMLQKVSJWYZIO-UHOFOFEASA-N 1 2 292.785 3.903 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695073 334201783 /nfs/dbraw/zinc/20/17/83/334201783.db2.gz XKMLQKVSJWYZIO-UHOFOFEASA-N 1 2 292.785 3.903 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695072 334201930 /nfs/dbraw/zinc/20/19/30/334201930.db2.gz XKMLQKVSJWYZIO-KCXAZCMYSA-N 1 2 292.785 3.903 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695072 334201931 /nfs/dbraw/zinc/20/19/31/334201931.db2.gz XKMLQKVSJWYZIO-KCXAZCMYSA-N 1 2 292.785 3.903 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(CC)cn1)Cc1ccccc1F ZINC000549770570 334204487 /nfs/dbraw/zinc/20/44/87/334204487.db2.gz NZSPZSVMJMMFSJ-UHFFFAOYSA-N 1 2 284.378 3.971 20 30 CHEDLO C=CC[N@H+](Cc1ccc(CC)cn1)Cc1ccccc1F ZINC000549770570 334204489 /nfs/dbraw/zinc/20/44/89/334204489.db2.gz NZSPZSVMJMMFSJ-UHFFFAOYSA-N 1 2 284.378 3.971 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc3occc3c2)c1 ZINC000551964491 334268062 /nfs/dbraw/zinc/26/80/62/334268062.db2.gz QWUMICNQWAHRAM-UHFFFAOYSA-N 1 2 263.300 3.506 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000576440599 335203502 /nfs/dbraw/zinc/20/35/02/335203502.db2.gz NHHNELQJRAHMJA-GFCCVEGCSA-N 1 2 273.767 3.670 20 30 CHEDLO C=CCSCc1cn2cc(Br)ccc2[nH+]1 ZINC000176903351 335339720 /nfs/dbraw/zinc/33/97/20/335339720.db2.gz XCPCZUXULDGQSK-UHFFFAOYSA-N 1 2 283.194 3.516 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(F)c1 ZINC000178791283 335451093 /nfs/dbraw/zinc/45/10/93/335451093.db2.gz GNQKQBPKXFGBLI-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO C=CCC(C)(C)c1noc([C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000581205142 336024717 /nfs/dbraw/zinc/02/47/17/336024717.db2.gz IJQVOCZGHVASSN-HNNXBMFYSA-N 1 2 299.418 3.964 20 30 CHEDLO C=CCC(C)(C)c1noc([C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000581205142 336024718 /nfs/dbraw/zinc/02/47/18/336024718.db2.gz IJQVOCZGHVASSN-HNNXBMFYSA-N 1 2 299.418 3.964 20 30 CHEDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356081120 534046147 /nfs/dbraw/zinc/04/61/47/534046147.db2.gz FLTQAYDQDDMUKU-NSHDSACASA-N 1 2 297.383 3.954 20 30 CHEDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356081120 534046155 /nfs/dbraw/zinc/04/61/55/534046155.db2.gz FLTQAYDQDDMUKU-NSHDSACASA-N 1 2 297.383 3.954 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000290143190 520475712 /nfs/dbraw/zinc/47/57/12/520475712.db2.gz KNPQFZCDQNNWQM-AWEZNQCLSA-N 1 2 272.373 3.796 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000290143190 520475720 /nfs/dbraw/zinc/47/57/20/520475720.db2.gz KNPQFZCDQNNWQM-AWEZNQCLSA-N 1 2 272.373 3.796 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCCO[C@H]2C)[nH+]1 ZINC000330042564 534520620 /nfs/dbraw/zinc/52/06/20/534520620.db2.gz CEFVAUNIYLXIII-STQMWFEESA-N 1 2 299.374 3.788 20 30 CHEDLO CC[N@H+](Cc1cscn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000102949701 521445428 /nfs/dbraw/zinc/44/54/28/521445428.db2.gz INFVKNWRINYENS-LBPRGKRZSA-N 1 2 271.389 3.598 20 30 CHEDLO CC[N@@H+](Cc1cscn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000102949701 521445437 /nfs/dbraw/zinc/44/54/37/521445437.db2.gz INFVKNWRINYENS-LBPRGKRZSA-N 1 2 271.389 3.598 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(CC)nc1)Cc1ccccc1F ZINC000347659846 526334248 /nfs/dbraw/zinc/33/42/48/526334248.db2.gz JTJHFAFDOOQMAG-UHFFFAOYSA-N 1 2 284.378 3.971 20 30 CHEDLO C=CC[N@H+](Cc1ccc(CC)nc1)Cc1ccccc1F ZINC000347659846 526334256 /nfs/dbraw/zinc/33/42/56/526334256.db2.gz JTJHFAFDOOQMAG-UHFFFAOYSA-N 1 2 284.378 3.971 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000336335340 526907916 /nfs/dbraw/zinc/90/79/16/526907916.db2.gz FPIAPIAQAGEIDN-NSHDSACASA-N 1 2 275.377 3.511 20 30 CHEDLO C=CCCC[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000351922413 527292261 /nfs/dbraw/zinc/29/22/61/527292261.db2.gz GGZYCTPRPGROEZ-LBPRGKRZSA-N 1 2 261.369 3.565 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2cccc(C)n12 ZINC000353420392 528750482 /nfs/dbraw/zinc/75/04/82/528750482.db2.gz GPVDCDGKABAZLP-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2cccc(C)n12 ZINC000353420392 528750486 /nfs/dbraw/zinc/75/04/86/528750486.db2.gz GPVDCDGKABAZLP-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209440552 1118059078 /nfs/dbraw/zinc/05/90/78/1118059078.db2.gz FJRDRLVQXUYRQF-OAHLLOKOSA-N 1 2 279.449 3.787 20 30 CHEDLO C=CCCCCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209440552 1118059086 /nfs/dbraw/zinc/05/90/86/1118059086.db2.gz FJRDRLVQXUYRQF-OAHLLOKOSA-N 1 2 279.449 3.787 20 30 CHEDLO N#CCC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000049480845 1125496414 /nfs/dbraw/zinc/49/64/14/1125496414.db2.gz QXWCEBMWPZIOSM-UHFFFAOYSA-N 1 2 262.356 3.843 20 30 CHEDLO N#CCC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000049480845 1125496418 /nfs/dbraw/zinc/49/64/18/1125496418.db2.gz QXWCEBMWPZIOSM-UHFFFAOYSA-N 1 2 262.356 3.843 20 30 CHEDLO C#CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000852545634 1123407765 /nfs/dbraw/zinc/40/77/65/1123407765.db2.gz PJQHGKOLNHOIIJ-OAHLLOKOSA-N 1 2 277.795 3.515 20 30 CHEDLO C#CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000852545634 1123407766 /nfs/dbraw/zinc/40/77/66/1123407766.db2.gz PJQHGKOLNHOIIJ-OAHLLOKOSA-N 1 2 277.795 3.515 20 30 CHEDLO N#CCC1C[NH+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143707067 1131526960 /nfs/dbraw/zinc/52/69/60/1131526960.db2.gz YSEIFLSOGGYGPL-UHFFFAOYSA-N 1 2 288.700 3.704 20 30 CHEDLO CCCC[N@H+](CC#N)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171137407 1131583830 /nfs/dbraw/zinc/58/38/30/1131583830.db2.gz ZYVGAPRQUMVHOH-INIZCTEOSA-N 1 2 276.811 3.823 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171137407 1131583833 /nfs/dbraw/zinc/58/38/33/1131583833.db2.gz ZYVGAPRQUMVHOH-INIZCTEOSA-N 1 2 276.811 3.823 20 30 CHEDLO CC(C)COCC[C@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172457590 1132240381 /nfs/dbraw/zinc/24/03/81/1132240381.db2.gz QQANOOBQIAFRAX-HNNXBMFYSA-N 1 2 266.429 3.644 20 30 CHEDLO CC(C)COCC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172457596 1132240391 /nfs/dbraw/zinc/24/03/91/1132240391.db2.gz QQANOOBQIAFRAX-OAHLLOKOSA-N 1 2 266.429 3.644 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001232701288 1132508752 /nfs/dbraw/zinc/50/87/52/1132508752.db2.gz VZJJXWIDNFTWPE-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001232701288 1132508759 /nfs/dbraw/zinc/50/87/59/1132508759.db2.gz VZJJXWIDNFTWPE-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[N@@H+](C)[C@H](C)C#N)cc1 ZINC001207936215 1133865327 /nfs/dbraw/zinc/86/53/27/1133865327.db2.gz CWVIUIKLSTXXNR-LSDHHAIUSA-N 1 2 258.409 3.832 20 30 CHEDLO COc1ccc(CNc2ccc([NH+](C)C)c(C)c2)cc1C#N ZINC000120180115 1125542385 /nfs/dbraw/zinc/54/23/85/1125542385.db2.gz SBUNBVABWOITKM-UHFFFAOYSA-N 1 2 295.386 3.553 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799547 1125762781 /nfs/dbraw/zinc/76/27/81/1125762781.db2.gz NJQKTJNKWPRFPU-CVEARBPZSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799547 1125762785 /nfs/dbraw/zinc/76/27/85/1125762785.db2.gz NJQKTJNKWPRFPU-CVEARBPZSA-N 1 2 271.408 3.624 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000645249431 1129493088 /nfs/dbraw/zinc/49/30/88/1129493088.db2.gz HOCHTTXHJBXXPS-CZUORRHYSA-N 1 2 277.795 3.515 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000645249431 1129493089 /nfs/dbraw/zinc/49/30/89/1129493089.db2.gz HOCHTTXHJBXXPS-CZUORRHYSA-N 1 2 277.795 3.515 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000600608665 1126723321 /nfs/dbraw/zinc/72/33/21/1126723321.db2.gz FWGJXZCTTVKNMZ-NSHDSACASA-N 1 2 287.750 3.619 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000338359598 1126737668 /nfs/dbraw/zinc/73/76/68/1126737668.db2.gz QMSHPRUBQSZFPF-LLVKDONJSA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000338359598 1126737673 /nfs/dbraw/zinc/73/76/73/1126737673.db2.gz QMSHPRUBQSZFPF-LLVKDONJSA-N 1 2 282.309 3.829 20 30 CHEDLO CCN(CC)c1ccc(NCC(C)(C)CCC#N)c[nH+]1 ZINC000158132588 1126747697 /nfs/dbraw/zinc/74/76/97/1126747697.db2.gz WCPOVNMYGMXLTC-UHFFFAOYSA-N 1 2 274.412 3.670 20 30 CHEDLO CCc1cnc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000177769531 1126804456 /nfs/dbraw/zinc/80/44/56/1126804456.db2.gz HLCNNYHJZNAICO-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1cnc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000177769531 1126804459 /nfs/dbraw/zinc/80/44/59/1126804459.db2.gz HLCNNYHJZNAICO-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1c(F)cccc1F ZINC000484098177 1126810305 /nfs/dbraw/zinc/81/03/05/1126810305.db2.gz MENUQZQHOAIBEY-ZDUSSCGKSA-N 1 2 271.310 3.667 20 30 CHEDLO C#C[C@@H](CCCC)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588718 1130659233 /nfs/dbraw/zinc/65/92/33/1130659233.db2.gz QVFHQRWKYDZCOB-AWEZNQCLSA-N 1 2 259.349 3.619 20 30 CHEDLO C[C@H]1CCCC[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000183048096 1126881020 /nfs/dbraw/zinc/88/10/20/1126881020.db2.gz ADFSDEMQVZKGNT-JKSUJKDBSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@H]1CCCC[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000183048096 1126881025 /nfs/dbraw/zinc/88/10/25/1126881025.db2.gz ADFSDEMQVZKGNT-JKSUJKDBSA-N 1 2 271.408 3.624 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235240111 1130726111 /nfs/dbraw/zinc/72/61/11/1130726111.db2.gz ZJCWJOXXZVNVJD-UHFFFAOYSA-N 1 2 290.716 3.928 20 30 CHEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365096 1126910119 /nfs/dbraw/zinc/91/01/19/1126910119.db2.gz UUUAHWSIWZLVBJ-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365096 1126910120 /nfs/dbraw/zinc/91/01/20/1126910120.db2.gz UUUAHWSIWZLVBJ-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365479 1126910170 /nfs/dbraw/zinc/91/01/70/1126910170.db2.gz OFVMQTZEZIMUHO-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365479 1126910171 /nfs/dbraw/zinc/91/01/71/1126910171.db2.gz OFVMQTZEZIMUHO-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)cs1 ZINC000189823858 1126935102 /nfs/dbraw/zinc/93/51/02/1126935102.db2.gz CCDVLDBXJVWCEY-MRXNPFEDSA-N 1 2 283.400 3.660 20 30 CHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)cs1 ZINC000189823858 1126935105 /nfs/dbraw/zinc/93/51/05/1126935105.db2.gz CCDVLDBXJVWCEY-MRXNPFEDSA-N 1 2 283.400 3.660 20 30 CHEDLO C[N@@H+]1CCCc2cc(NCc3ccc(C#N)cc3F)ccc21 ZINC000269431672 1127039728 /nfs/dbraw/zinc/03/97/28/1127039728.db2.gz PYNGZYWVGSRGSL-UHFFFAOYSA-N 1 2 295.361 3.692 20 30 CHEDLO C[N@H+]1CCCc2cc(NCc3ccc(C#N)cc3F)ccc21 ZINC000269431672 1127039730 /nfs/dbraw/zinc/03/97/30/1127039730.db2.gz PYNGZYWVGSRGSL-UHFFFAOYSA-N 1 2 295.361 3.692 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000271145854 1127070100 /nfs/dbraw/zinc/07/01/00/1127070100.db2.gz XYAWQHUCRABRCU-SECBINFHSA-N 1 2 290.716 3.950 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000271145854 1127070103 /nfs/dbraw/zinc/07/01/03/1127070103.db2.gz XYAWQHUCRABRCU-SECBINFHSA-N 1 2 290.716 3.950 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CCCc2ccccc21 ZINC000912962680 1127117248 /nfs/dbraw/zinc/11/72/48/1127117248.db2.gz YNQCABXORQYOIF-JPVKTXQWSA-N 1 2 265.356 3.931 20 30 CHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCc2sccc2C1 ZINC000589984673 1127243221 /nfs/dbraw/zinc/24/32/21/1127243221.db2.gz AHGREVDJHWKJQD-UHFFFAOYSA-N 1 2 286.375 3.707 20 30 CHEDLO N#Cc1c(F)cccc1C[N@H+]1CCCc2sccc2C1 ZINC000589984673 1127243225 /nfs/dbraw/zinc/24/32/25/1127243225.db2.gz AHGREVDJHWKJQD-UHFFFAOYSA-N 1 2 286.375 3.707 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000573198979 1127297321 /nfs/dbraw/zinc/29/73/21/1127297321.db2.gz FAHVQSPWAJJIJX-TZMCWYRMSA-N 1 2 295.308 3.713 20 30 CHEDLO Cc1ccc(Cl)c(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC001138034460 1131196604 /nfs/dbraw/zinc/19/66/04/1131196604.db2.gz GMQYMQGLCCOYQE-UHFFFAOYSA-N 1 2 280.774 3.913 20 30 CHEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccncc1C#N ZINC000592060455 1127332344 /nfs/dbraw/zinc/33/23/44/1127332344.db2.gz MCWBPULAZXRDQL-OAHLLOKOSA-N 1 2 283.400 3.524 20 30 CHEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592060455 1127332347 /nfs/dbraw/zinc/33/23/47/1127332347.db2.gz MCWBPULAZXRDQL-OAHLLOKOSA-N 1 2 283.400 3.524 20 30 CHEDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072380 1127334930 /nfs/dbraw/zinc/33/49/30/1127334930.db2.gz JLFMAVXDCCVBTG-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072380 1127334933 /nfs/dbraw/zinc/33/49/33/1127334933.db2.gz JLFMAVXDCCVBTG-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072254 1127375089 /nfs/dbraw/zinc/37/50/89/1127375089.db2.gz FDJNINKDWJXSJC-UHFFFAOYSA-N 1 2 296.748 3.833 20 30 CHEDLO N#Cc1cccc2c1C[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000593119789 1127375451 /nfs/dbraw/zinc/37/54/51/1127375451.db2.gz GMSKGNNCYUDSKD-SFHVURJKSA-N 1 2 278.330 3.700 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000593119789 1127375454 /nfs/dbraw/zinc/37/54/54/1127375454.db2.gz GMSKGNNCYUDSKD-SFHVURJKSA-N 1 2 278.330 3.700 20 30 CHEDLO CC(C)(CC[N@H+](CCC#N)Cc1ccco1)C1CC1 ZINC000593960042 1127404043 /nfs/dbraw/zinc/40/40/43/1127404043.db2.gz KGSBECTTYNOKAV-UHFFFAOYSA-N 1 2 260.381 3.822 20 30 CHEDLO CC(C)(CC[N@@H+](CCC#N)Cc1ccco1)C1CC1 ZINC000593960042 1127404046 /nfs/dbraw/zinc/40/40/46/1127404046.db2.gz KGSBECTTYNOKAV-UHFFFAOYSA-N 1 2 260.381 3.822 20 30 CHEDLO Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)c(C)[nH+]1 ZINC000594735452 1127430641 /nfs/dbraw/zinc/43/06/41/1127430641.db2.gz QWWPQUYIIGMXCK-UHFFFAOYSA-N 1 2 277.371 3.866 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccsc2Cl)CCCCC1 ZINC000594981982 1127443047 /nfs/dbraw/zinc/44/30/47/1127443047.db2.gz WJKVXYFCUAWWOL-UHFFFAOYSA-N 1 2 268.813 3.965 20 30 CHEDLO C=CC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C(C)(C)C ZINC000595764877 1127473981 /nfs/dbraw/zinc/47/39/81/1127473981.db2.gz FVEFIYUWQUBCGA-LLVKDONJSA-N 1 2 283.441 3.670 20 30 CHEDLO C=CC[N@H+](Cc1nc([C@@H](C)SCC)no1)C(C)(C)C ZINC000595764877 1127473984 /nfs/dbraw/zinc/47/39/84/1127473984.db2.gz FVEFIYUWQUBCGA-LLVKDONJSA-N 1 2 283.441 3.670 20 30 CHEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613343 1127470325 /nfs/dbraw/zinc/47/03/25/1127470325.db2.gz BILSIFOWJCOOED-OLZOCXBDSA-N 1 2 275.396 3.659 20 30 CHEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613343 1127470328 /nfs/dbraw/zinc/47/03/28/1127470328.db2.gz BILSIFOWJCOOED-OLZOCXBDSA-N 1 2 275.396 3.659 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000595614523 1127471396 /nfs/dbraw/zinc/47/13/96/1127471396.db2.gz DDHRNTCDSRDHEX-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000595614523 1127471398 /nfs/dbraw/zinc/47/13/98/1127471398.db2.gz DDHRNTCDSRDHEX-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1C#N ZINC000595699760 1127473239 /nfs/dbraw/zinc/47/32/39/1127473239.db2.gz AHVJXTOJYUANCD-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1C#N ZINC000595699760 1127473240 /nfs/dbraw/zinc/47/32/40/1127473240.db2.gz AHVJXTOJYUANCD-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000595844446 1127478433 /nfs/dbraw/zinc/47/84/33/1127478433.db2.gz SSKKBSDTSRKQSR-XYBNCVKDSA-N 1 2 260.768 3.589 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000595844446 1127478435 /nfs/dbraw/zinc/47/84/35/1127478435.db2.gz SSKKBSDTSRKQSR-XYBNCVKDSA-N 1 2 260.768 3.589 20 30 CHEDLO CCc1ccccc1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127465 1127478925 /nfs/dbraw/zinc/47/89/25/1127478925.db2.gz RMTJSKMQQFNAMP-UHFFFAOYSA-N 1 2 262.356 3.636 20 30 CHEDLO CCc1ccccc1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127465 1127478927 /nfs/dbraw/zinc/47/89/27/1127478927.db2.gz RMTJSKMQQFNAMP-UHFFFAOYSA-N 1 2 262.356 3.636 20 30 CHEDLO Cc1nc(Nc2ccc3c(c2)[nH+]cn3C)c(Cl)cc1C#N ZINC000360049955 1127487676 /nfs/dbraw/zinc/48/76/76/1127487676.db2.gz HZBOLJJSERUKSG-UHFFFAOYSA-N 1 2 297.749 3.545 20 30 CHEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](CC#N)C1 ZINC000596330150 1127493482 /nfs/dbraw/zinc/49/34/82/1127493482.db2.gz PKMPQADGTPJFBT-AWEZNQCLSA-N 1 2 295.386 3.682 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000596991942 1127524649 /nfs/dbraw/zinc/52/46/49/1127524649.db2.gz PAMSREKULUKFOS-GFCCVEGCSA-N 1 2 285.416 3.710 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000596991942 1127524650 /nfs/dbraw/zinc/52/46/50/1127524650.db2.gz PAMSREKULUKFOS-GFCCVEGCSA-N 1 2 285.416 3.710 20 30 CHEDLO C=CCC(C)(C)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000293787872 1127521011 /nfs/dbraw/zinc/52/10/11/1127521011.db2.gz UAEZGQHEVKMFRH-CQSZACIVSA-N 1 2 276.428 3.618 20 30 CHEDLO Cc1cccc2[nH]c(C[N@@H+]3CCC[C@](C)(C#N)C3)cc21 ZINC000597080887 1127527138 /nfs/dbraw/zinc/52/71/38/1127527138.db2.gz VRDSXGDKDMSUOQ-QGZVFWFLSA-N 1 2 267.376 3.602 20 30 CHEDLO Cc1cccc2[nH]c(C[N@H+]3CCC[C@](C)(C#N)C3)cc21 ZINC000597080887 1127527140 /nfs/dbraw/zinc/52/71/40/1127527140.db2.gz VRDSXGDKDMSUOQ-QGZVFWFLSA-N 1 2 267.376 3.602 20 30 CHEDLO N#CC1(C[NH2+]Cc2cccc(F)c2OC(F)F)CCCC1 ZINC000597159331 1127530713 /nfs/dbraw/zinc/53/07/13/1127530713.db2.gz YEAOAMPKSJIMMP-UHFFFAOYSA-N 1 2 298.308 3.601 20 30 CHEDLO CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597174251 1127531300 /nfs/dbraw/zinc/53/13/00/1127531300.db2.gz ONENMYZRJLQSCB-OAHLLOKOSA-N 1 2 296.418 3.572 20 30 CHEDLO CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597174251 1127531302 /nfs/dbraw/zinc/53/13/02/1127531302.db2.gz ONENMYZRJLQSCB-OAHLLOKOSA-N 1 2 296.418 3.572 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230874 1127535214 /nfs/dbraw/zinc/53/52/14/1127535214.db2.gz UQGMEEUFZKXIBO-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230874 1127535215 /nfs/dbraw/zinc/53/52/15/1127535215.db2.gz UQGMEEUFZKXIBO-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000597231523 1127535836 /nfs/dbraw/zinc/53/58/36/1127535836.db2.gz ZICATKFQVLTCKL-SFHVURJKSA-N 1 2 284.403 3.526 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000597231523 1127535839 /nfs/dbraw/zinc/53/58/39/1127535839.db2.gz ZICATKFQVLTCKL-SFHVURJKSA-N 1 2 284.403 3.526 20 30 CHEDLO N#CCC[N@H+](CCCC1CCCC1)Cc1ccco1 ZINC000361541761 1127570993 /nfs/dbraw/zinc/57/09/93/1127570993.db2.gz SPMXXTSUCBKHEE-UHFFFAOYSA-N 1 2 260.381 3.966 20 30 CHEDLO N#CCC[N@@H+](CCCC1CCCC1)Cc1ccco1 ZINC000361541761 1127570996 /nfs/dbraw/zinc/57/09/96/1127570996.db2.gz SPMXXTSUCBKHEE-UHFFFAOYSA-N 1 2 260.381 3.966 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602465598 1127582993 /nfs/dbraw/zinc/58/29/93/1127582993.db2.gz PZBWTBYVRRZLLV-UHFFFAOYSA-N 1 2 281.350 3.781 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602465598 1127582996 /nfs/dbraw/zinc/58/29/96/1127582996.db2.gz PZBWTBYVRRZLLV-UHFFFAOYSA-N 1 2 281.350 3.781 20 30 CHEDLO CCSCc1cc[nH+]c(NC2CCC(C#N)CC2)c1 ZINC000602575573 1127595905 /nfs/dbraw/zinc/59/59/05/1127595905.db2.gz FOYGIGSJFMNMJI-UHFFFAOYSA-N 1 2 275.421 3.829 20 30 CHEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000602661435 1127602728 /nfs/dbraw/zinc/60/27/28/1127602728.db2.gz FKVHJTJJNKTCOB-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000602661435 1127602730 /nfs/dbraw/zinc/60/27/30/1127602730.db2.gz FKVHJTJJNKTCOB-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO N#CC1(C[NH2+]Cc2oc3ccccc3c2Cl)CCC1 ZINC000602697250 1127604950 /nfs/dbraw/zinc/60/49/50/1127604950.db2.gz WICHAECVMHKSGM-UHFFFAOYSA-N 1 2 274.751 3.870 20 30 CHEDLO N#CCC1(C[N@H+]2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000602831008 1127615860 /nfs/dbraw/zinc/61/58/60/1127615860.db2.gz DVZZEWSLQRNWAF-UHFFFAOYSA-N 1 2 278.758 3.531 20 30 CHEDLO N#CCC1(C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000602831008 1127615863 /nfs/dbraw/zinc/61/58/63/1127615863.db2.gz DVZZEWSLQRNWAF-UHFFFAOYSA-N 1 2 278.758 3.531 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975769 1127625138 /nfs/dbraw/zinc/62/51/38/1127625138.db2.gz HCEBMTZMSYLYDT-GOEBONIOSA-N 1 2 272.392 3.598 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975769 1127625140 /nfs/dbraw/zinc/62/51/40/1127625140.db2.gz HCEBMTZMSYLYDT-GOEBONIOSA-N 1 2 272.392 3.598 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000603428311 1127648385 /nfs/dbraw/zinc/64/83/85/1127648385.db2.gz HFUCLPUUNMRGJN-IINYFYTJSA-N 1 2 264.319 3.569 20 30 CHEDLO N#Cc1cccc(C2([NH2+][C@H]3CCCc4scnc43)CC2)c1 ZINC000599037430 1127653587 /nfs/dbraw/zinc/65/35/87/1127653587.db2.gz BFUVVOCFIIGDNT-AWEZNQCLSA-N 1 2 295.411 3.671 20 30 CHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000599675820 1127686810 /nfs/dbraw/zinc/68/68/10/1127686810.db2.gz PRQBHEOMWGSMFM-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000599675820 1127686811 /nfs/dbraw/zinc/68/68/11/1127686811.db2.gz PRQBHEOMWGSMFM-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000366913304 1127748895 /nfs/dbraw/zinc/74/88/95/1127748895.db2.gz NNTLNRVDMAJGPS-UHFFFAOYSA-N 1 2 266.747 3.514 20 30 CHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1C#N ZINC000063300491 1127810243 /nfs/dbraw/zinc/81/02/43/1127810243.db2.gz VVEXMOAQBUSDOD-UHFFFAOYSA-N 1 2 287.366 3.618 20 30 CHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1C#N ZINC000063300491 1127810245 /nfs/dbraw/zinc/81/02/45/1127810245.db2.gz VVEXMOAQBUSDOD-UHFFFAOYSA-N 1 2 287.366 3.618 20 30 CHEDLO CCc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cs1 ZINC000442690294 1127908779 /nfs/dbraw/zinc/90/87/79/1127908779.db2.gz JGBIEFHQQNKDPS-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cs1 ZINC000442690294 1127908780 /nfs/dbraw/zinc/90/87/80/1127908780.db2.gz JGBIEFHQQNKDPS-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO CCCCOc1ccccc1C[N@H+](CC)C[C@H](C)C#N ZINC000468398365 1128006670 /nfs/dbraw/zinc/00/66/70/1128006670.db2.gz WMSNKALKHZRDRQ-OAHLLOKOSA-N 1 2 274.408 3.847 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+](CC)C[C@H](C)C#N ZINC000468398365 1128006675 /nfs/dbraw/zinc/00/66/75/1128006675.db2.gz WMSNKALKHZRDRQ-OAHLLOKOSA-N 1 2 274.408 3.847 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000469172015 1128037065 /nfs/dbraw/zinc/03/70/65/1128037065.db2.gz IJTQYHYLVCDYJB-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000469172015 1128037070 /nfs/dbraw/zinc/03/70/70/1128037070.db2.gz IJTQYHYLVCDYJB-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000609145837 1128050770 /nfs/dbraw/zinc/05/07/70/1128050770.db2.gz RWHXRLAUBJVNLK-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000609145837 1128050774 /nfs/dbraw/zinc/05/07/74/1128050774.db2.gz RWHXRLAUBJVNLK-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(Cl)cc1 ZINC000491513357 1128071941 /nfs/dbraw/zinc/07/19/41/1128071941.db2.gz BUTIKFSUQBJEPM-KRWDZBQOSA-N 1 2 296.801 3.688 20 30 CHEDLO CCc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000929756637 1128079145 /nfs/dbraw/zinc/07/91/45/1128079145.db2.gz IIOHRJFGDOELRS-SJORKVTESA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000929756637 1128079148 /nfs/dbraw/zinc/07/91/48/1128079148.db2.gz IIOHRJFGDOELRS-SJORKVTESA-N 1 2 295.386 3.509 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1cccc(C#N)c1O ZINC000924565354 1128105187 /nfs/dbraw/zinc/10/51/87/1128105187.db2.gz SFDTVUYEUCIDPK-QGZVFWFLSA-N 1 2 296.370 3.513 20 30 CHEDLO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925560941 1128132564 /nfs/dbraw/zinc/13/25/64/1128132564.db2.gz AJZIHJRNFWCFEV-OCCSQVGLSA-N 1 2 294.345 3.882 20 30 CHEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000925601002 1128133666 /nfs/dbraw/zinc/13/36/66/1128133666.db2.gz IYVNGIOZWGDYHT-JKSUJKDBSA-N 1 2 295.386 3.995 20 30 CHEDLO CC[C@@H]([NH2+]C[C@H](C)CC(F)F)c1cccc(C#N)c1O ZINC000926626729 1128184240 /nfs/dbraw/zinc/18/42/40/1128184240.db2.gz JODVYMSMSVDABL-ZWNOBZJWSA-N 1 2 282.334 3.596 20 30 CHEDLO CC[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926705178 1128188915 /nfs/dbraw/zinc/18/89/15/1128188915.db2.gz MFDAKXCEGKNWTO-UKRRQHHQSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C#N)c1O ZINC000926712008 1128189932 /nfs/dbraw/zinc/18/99/32/1128189932.db2.gz POTBIFMXTHUQHM-INIZCTEOSA-N 1 2 297.402 3.779 20 30 CHEDLO CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1cccc(C#N)c1O ZINC000926802823 1128195641 /nfs/dbraw/zinc/19/56/41/1128195641.db2.gz ZPVHUFXJRKQVDR-CYBMUJFWSA-N 1 2 296.361 3.986 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1cncc(C#N)c1 ZINC000930166931 1128303009 /nfs/dbraw/zinc/30/30/09/1128303009.db2.gz PAIRUYBPMIDUFC-CHWSQXEVSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1cncc(C#N)c1 ZINC000930166931 1128303014 /nfs/dbraw/zinc/30/30/14/1128303014.db2.gz PAIRUYBPMIDUFC-CHWSQXEVSA-N 1 2 295.361 3.600 20 30 CHEDLO CC#CC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000393770502 1128347305 /nfs/dbraw/zinc/34/73/05/1128347305.db2.gz GTKCSEHEIATYGJ-UHFFFAOYSA-N 1 2 254.160 3.595 20 30 CHEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(C)cc2)s1 ZINC000916250257 1128414016 /nfs/dbraw/zinc/41/40/16/1128414016.db2.gz RSCMWRWLMSUHLU-UHFFFAOYSA-N 1 2 288.420 3.744 20 30 CHEDLO Oc1cccc(/C=[NH+]\CCc2csc3ccccc23)c1O ZINC000915981218 1128400019 /nfs/dbraw/zinc/40/00/19/1128400019.db2.gz OOBXLVSLSKTBOI-ZDLGFXPLSA-N 1 2 297.379 3.974 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932384309 1128407196 /nfs/dbraw/zinc/40/71/96/1128407196.db2.gz RJNYCKDQFWQNGN-KRWDZBQOSA-N 1 2 297.789 3.848 20 30 CHEDLO CC(C)(C#N)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000562749329 1128419359 /nfs/dbraw/zinc/41/93/59/1128419359.db2.gz XTWBIPVSIHNRPV-MUJYYYPQSA-N 1 2 254.377 3.699 20 30 CHEDLO CC(C)(C#N)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000562749329 1128419361 /nfs/dbraw/zinc/41/93/61/1128419361.db2.gz XTWBIPVSIHNRPV-MUJYYYPQSA-N 1 2 254.377 3.699 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC000218995763 1128434101 /nfs/dbraw/zinc/43/41/01/1128434101.db2.gz LPMQPQGEJWLOSA-UHFFFAOYSA-N 1 2 254.736 3.603 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC000218995763 1128434104 /nfs/dbraw/zinc/43/41/04/1128434104.db2.gz LPMQPQGEJWLOSA-UHFFFAOYSA-N 1 2 254.736 3.603 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461356 1128461108 /nfs/dbraw/zinc/46/11/08/1128461108.db2.gz MTZAWVAXSCFTID-OLZOCXBDSA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461356 1128461112 /nfs/dbraw/zinc/46/11/12/1128461112.db2.gz MTZAWVAXSCFTID-OLZOCXBDSA-N 1 2 292.810 3.626 20 30 CHEDLO CCCCOc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000127646013 1128481349 /nfs/dbraw/zinc/48/13/49/1128481349.db2.gz BSKWFSFMIOPBFT-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO CCCCOc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000127646013 1128481350 /nfs/dbraw/zinc/48/13/50/1128481350.db2.gz BSKWFSFMIOPBFT-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000130677444 1128500305 /nfs/dbraw/zinc/50/03/05/1128500305.db2.gz XJOAIDLBSXOSSJ-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000130677444 1128500306 /nfs/dbraw/zinc/50/03/06/1128500306.db2.gz XJOAIDLBSXOSSJ-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1C#N ZINC000565932143 1128535354 /nfs/dbraw/zinc/53/53/54/1128535354.db2.gz QZLQTBMAHBDTLP-GVDBMIGSSA-N 1 2 268.404 3.804 20 30 CHEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1C#N ZINC000565932143 1128535355 /nfs/dbraw/zinc/53/53/55/1128535355.db2.gz QZLQTBMAHBDTLP-GVDBMIGSSA-N 1 2 268.404 3.804 20 30 CHEDLO COc1cccc(/C=[NH+]\CCCC2CCCC2)c1O ZINC000918155552 1128537920 /nfs/dbraw/zinc/53/79/20/1128537920.db2.gz URPPEAIJCSURSP-ATVHPVEESA-N 1 2 261.365 3.790 20 30 CHEDLO CCCCCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001127451787 1128579440 /nfs/dbraw/zinc/57/94/40/1128579440.db2.gz FSORYJILMJWFBR-UHFFFAOYSA-N 1 2 277.412 3.755 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1snnc1C)c1ccc(F)c(F)c1 ZINC000569697929 1128607579 /nfs/dbraw/zinc/60/75/79/1128607579.db2.gz YOSOHEHDTMCCKL-AWEZNQCLSA-N 1 2 295.358 3.532 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2cc(Cl)c3[nH+]ccn3c2)CC1 ZINC001212857244 1128608251 /nfs/dbraw/zinc/60/82/51/1128608251.db2.gz DUWNECFXZPTZRA-SNVBAGLBSA-N 1 2 272.739 3.607 20 30 CHEDLO C[N@H+](Cc1ccc(Br)c(F)c1)CC(C)(C)C#N ZINC000556909458 1128641027 /nfs/dbraw/zinc/64/10/27/1128641027.db2.gz GRDLFWSAVCNMGP-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)CC(C)(C)C#N ZINC000556909458 1128641028 /nfs/dbraw/zinc/64/10/28/1128641028.db2.gz GRDLFWSAVCNMGP-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nsc1C ZINC000573016500 1128650005 /nfs/dbraw/zinc/65/00/05/1128650005.db2.gz TVTSYXIGIXLVAN-UHFFFAOYSA-N 1 2 279.453 3.912 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nsc1C ZINC000573016500 1128650006 /nfs/dbraw/zinc/65/00/06/1128650006.db2.gz TVTSYXIGIXLVAN-UHFFFAOYSA-N 1 2 279.453 3.912 20 30 CHEDLO CCCCCCC[C@@H](C)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001258043839 1128685314 /nfs/dbraw/zinc/68/53/14/1128685314.db2.gz GYWSQGKJTWJMHC-ZIAGYGMSSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@@H](C)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001258043839 1128685316 /nfs/dbraw/zinc/68/53/16/1128685316.db2.gz GYWSQGKJTWJMHC-ZIAGYGMSSA-N 1 2 257.393 3.738 20 30 CHEDLO N#Cc1cccc(CNc2ccc([NH+]3CCCC3)cc2)c1 ZINC000035046114 1117764507 /nfs/dbraw/zinc/76/45/07/1117764507.db2.gz DZWMZOBUPUCXGX-UHFFFAOYSA-N 1 2 277.371 3.771 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC001208171718 1117857253 /nfs/dbraw/zinc/85/72/53/1117857253.db2.gz WZEZUXYCFXADOM-OAHLLOKOSA-N 1 2 254.377 3.700 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2Cc3cccnc3C2)CC1 ZINC001208171718 1117857256 /nfs/dbraw/zinc/85/72/56/1117857256.db2.gz WZEZUXYCFXADOM-OAHLLOKOSA-N 1 2 254.377 3.700 20 30 CHEDLO COc1ccc([C@@H](C)C[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000183497820 1118045783 /nfs/dbraw/zinc/04/57/83/1118045783.db2.gz RYBFWDQYWIRCTN-HNNXBMFYSA-N 1 2 298.386 3.808 20 30 CHEDLO COc1ccc([C@@H](C)C[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000183497820 1118045787 /nfs/dbraw/zinc/04/57/87/1118045787.db2.gz RYBFWDQYWIRCTN-HNNXBMFYSA-N 1 2 298.386 3.808 20 30 CHEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000615837638 1118286366 /nfs/dbraw/zinc/28/63/66/1118286366.db2.gz PHDVFMAMKYJLMR-ZGUWOUCSSA-N 1 2 299.374 3.624 20 30 CHEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000615837638 1118286369 /nfs/dbraw/zinc/28/63/69/1118286369.db2.gz PHDVFMAMKYJLMR-ZGUWOUCSSA-N 1 2 299.374 3.624 20 30 CHEDLO COc1cc(Nc2c(F)cc(C#N)cc2Cl)cc(C)[nH+]1 ZINC001210781062 1118386053 /nfs/dbraw/zinc/38/60/53/1118386053.db2.gz WKSXMRQMPBVPFG-UHFFFAOYSA-N 1 2 291.713 3.806 20 30 CHEDLO O=C1c2ccc(F)cc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000255323567 1118621562 /nfs/dbraw/zinc/62/15/62/1118621562.db2.gz BGZFQDAZTICVBH-JLHYYAGUSA-N 1 2 292.313 3.686 20 30 CHEDLO Cc1cc(F)cc2c1C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000337449517 1118679051 /nfs/dbraw/zinc/67/90/51/1118679051.db2.gz JWUBNCHYBXEDAL-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(F)cc2c1C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000337449517 1118679053 /nfs/dbraw/zinc/67/90/53/1118679053.db2.gz JWUBNCHYBXEDAL-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO COCCCC1(C[N@H+](CCC#N)Cc2ccco2)CCC1 ZINC000891465037 1118689796 /nfs/dbraw/zinc/68/97/96/1118689796.db2.gz OLRXRJYHLVAOOP-UHFFFAOYSA-N 1 2 290.407 3.592 20 30 CHEDLO COCCCC1(C[N@@H+](CCC#N)Cc2ccco2)CCC1 ZINC000891465037 1118689798 /nfs/dbraw/zinc/68/97/98/1118689798.db2.gz OLRXRJYHLVAOOP-UHFFFAOYSA-N 1 2 290.407 3.592 20 30 CHEDLO CC[N@H+](Cc1nccn1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657518 1118733397 /nfs/dbraw/zinc/73/33/97/1118733397.db2.gz XREMORJGESPYIL-CQSZACIVSA-N 1 2 294.402 3.673 20 30 CHEDLO CC[N@@H+](Cc1nccn1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657518 1118733399 /nfs/dbraw/zinc/73/33/99/1118733399.db2.gz XREMORJGESPYIL-CQSZACIVSA-N 1 2 294.402 3.673 20 30 CHEDLO CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000091983586 1118819918 /nfs/dbraw/zinc/81/99/18/1118819918.db2.gz ADTKDIKMGLTZPF-SNVBAGLBSA-N 1 2 288.288 3.826 20 30 CHEDLO CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000091983586 1118819924 /nfs/dbraw/zinc/81/99/24/1118819924.db2.gz ADTKDIKMGLTZPF-SNVBAGLBSA-N 1 2 288.288 3.826 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCC[C@H]2CCCCO2)c1O ZINC000588457740 1118821049 /nfs/dbraw/zinc/82/10/49/1118821049.db2.gz BMGZJPXLLMOHRO-QLENYVDCSA-N 1 2 291.391 3.559 20 30 CHEDLO CCO[C@H](CC/[NH+]=C/c1ccccc1O)C1CCCC1 ZINC000176323069 1118920946 /nfs/dbraw/zinc/92/09/46/1118920946.db2.gz LKWOKGLKZVFZCF-CLEQQJOVSA-N 1 2 275.392 3.797 20 30 CHEDLO Cc1ccc(C(C)(C)C/[NH+]=C\c2cccc(O)c2O)cc1 ZINC000728437792 1118946645 /nfs/dbraw/zinc/94/66/45/1118946645.db2.gz INTNFFOVELIYOL-ODLFYWEKSA-N 1 2 283.371 3.803 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccccc1C#N)c1nc(C)cs1 ZINC000162026852 1119265853 /nfs/dbraw/zinc/26/58/53/1119265853.db2.gz GCTDHULCCGUIDW-AWEZNQCLSA-N 1 2 271.389 3.564 20 30 CHEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052441322 1119378434 /nfs/dbraw/zinc/37/84/34/1119378434.db2.gz LLLSQYMDGZJDHF-LLVKDONJSA-N 1 2 272.211 3.794 20 30 CHEDLO C=CCC[C@H](CC)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000583339919 1119342626 /nfs/dbraw/zinc/34/26/26/1119342626.db2.gz MGEDTBKROZQYBI-AWEZNQCLSA-N 1 2 259.397 3.839 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052441322 1119378432 /nfs/dbraw/zinc/37/84/32/1119378432.db2.gz LLLSQYMDGZJDHF-LLVKDONJSA-N 1 2 272.211 3.794 20 30 CHEDLO COc1cc(C#N)cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213090771 1119419549 /nfs/dbraw/zinc/41/95/49/1119419549.db2.gz FQGIZKKUKSXPCN-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO C=CCCC(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000717894656 1119436664 /nfs/dbraw/zinc/43/66/64/1119436664.db2.gz PKAJBIOANHWNJC-UHFFFAOYSA-N 1 2 253.773 3.880 20 30 CHEDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc(Cl)cc1C#N ZINC000480522757 1119591061 /nfs/dbraw/zinc/59/10/61/1119591061.db2.gz GDXTYNLAUVUNHZ-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(Cl)cc1C#N ZINC000480522757 1119591065 /nfs/dbraw/zinc/59/10/65/1119591065.db2.gz GDXTYNLAUVUNHZ-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2cc(C#N)ccc2C1=O ZINC000901480553 1128866181 /nfs/dbraw/zinc/86/61/81/1128866181.db2.gz MZWWKWNXKXSTGM-OVCLIPMQSA-N 1 2 291.354 3.548 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000924532715 1119754339 /nfs/dbraw/zinc/75/43/39/1119754339.db2.gz XRJXQXHKZBTLKS-KRWDZBQOSA-N 1 2 296.370 3.513 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000780385130 1119761199 /nfs/dbraw/zinc/76/11/99/1119761199.db2.gz MCQLKYBPISNSIO-IUCAKERBSA-N 1 2 286.135 3.558 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000780385130 1119761203 /nfs/dbraw/zinc/76/12/03/1119761203.db2.gz MCQLKYBPISNSIO-IUCAKERBSA-N 1 2 286.135 3.558 20 30 CHEDLO CC(C)(C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000180058761 1119843631 /nfs/dbraw/zinc/84/36/31/1119843631.db2.gz GQNLCIWXXRJHQI-UHFFFAOYSA-N 1 2 293.414 3.775 20 30 CHEDLO CC(C)(C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000180058761 1119843635 /nfs/dbraw/zinc/84/36/35/1119843635.db2.gz GQNLCIWXXRJHQI-UHFFFAOYSA-N 1 2 293.414 3.775 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)s1 ZINC000180149831 1119923353 /nfs/dbraw/zinc/92/33/53/1119923353.db2.gz LRASBUBMDKNDRJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)s1 ZINC000180149831 1119923357 /nfs/dbraw/zinc/92/33/57/1119923357.db2.gz LRASBUBMDKNDRJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\CCc2ccc(Cl)cc2C1=O ZINC000901489496 1128880223 /nfs/dbraw/zinc/88/02/23/1128880223.db2.gz KMJYVVAORSWPFD-KPKJPENVSA-N 1 2 286.762 3.769 20 30 CHEDLO CC[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(C#N)c1O ZINC000926789762 1120028626 /nfs/dbraw/zinc/02/86/26/1120028626.db2.gz JOAQFNYZFYRLDA-ZFWWWQNUSA-N 1 2 290.432 3.590 20 30 CHEDLO CC[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(C#N)c1O ZINC000926789747 1120029476 /nfs/dbraw/zinc/02/94/76/1120029476.db2.gz JOAQFNYZFYRLDA-DZGCQCFKSA-N 1 2 290.432 3.590 20 30 CHEDLO N#Cc1ccc(Cl)cc1NCCc1cn2ccccc2[nH+]1 ZINC000301210121 1120132366 /nfs/dbraw/zinc/13/23/66/1120132366.db2.gz UHFQNSLBBGUBJS-UHFFFAOYSA-N 1 2 296.761 3.514 20 30 CHEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000109784978 1120208628 /nfs/dbraw/zinc/20/86/28/1120208628.db2.gz YROYYAYSZATMCA-LBPRGKRZSA-N 1 2 284.334 3.596 20 30 CHEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000109784978 1120208629 /nfs/dbraw/zinc/20/86/29/1120208629.db2.gz YROYYAYSZATMCA-LBPRGKRZSA-N 1 2 284.334 3.596 20 30 CHEDLO C=CC[N@@H+](Cc1cn2cccc(C)c2n1)Cc1cccs1 ZINC000620643798 1120236552 /nfs/dbraw/zinc/23/65/52/1120236552.db2.gz KDHCAACVXCKDTM-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO C=CC[N@H+](Cc1cn2cccc(C)c2n1)Cc1cccs1 ZINC000620643798 1120236556 /nfs/dbraw/zinc/23/65/56/1120236556.db2.gz KDHCAACVXCKDTM-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000066215698 1120379157 /nfs/dbraw/zinc/37/91/57/1120379157.db2.gz QJVDZHZRWRZBRM-UHFFFAOYSA-N 1 2 299.201 3.606 20 30 CHEDLO C[C@@H](Cc1ccsc1)[N@H+](CCC#N)Cc1ccco1 ZINC000543058494 1120391359 /nfs/dbraw/zinc/39/13/59/1120391359.db2.gz SLMUMUXJQAFPDB-ZDUSSCGKSA-N 1 2 274.389 3.688 20 30 CHEDLO C[C@@H](Cc1ccsc1)[N@@H+](CCC#N)Cc1ccco1 ZINC000543058494 1120391364 /nfs/dbraw/zinc/39/13/64/1120391364.db2.gz SLMUMUXJQAFPDB-ZDUSSCGKSA-N 1 2 274.389 3.688 20 30 CHEDLO N#CC1(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CCCCC1 ZINC000922250479 1120485742 /nfs/dbraw/zinc/48/57/42/1120485742.db2.gz RTACTAVYEPKUDZ-UHFFFAOYSA-N 1 2 292.814 3.504 20 30 CHEDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000629711896 1128929801 /nfs/dbraw/zinc/92/98/01/1128929801.db2.gz HOWQVIBWBKKWJY-LJQANCHMSA-N 1 2 290.366 3.561 20 30 CHEDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000629711896 1128929803 /nfs/dbraw/zinc/92/98/03/1128929803.db2.gz HOWQVIBWBKKWJY-LJQANCHMSA-N 1 2 290.366 3.561 20 30 CHEDLO C=CC[N@H+](Cc1nc(C2CCCC2)no1)C(C)(C)C ZINC000661759193 1120810245 /nfs/dbraw/zinc/81/02/45/1120810245.db2.gz DCSXRXPGQPCIAQ-UHFFFAOYSA-N 1 2 263.385 3.514 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C2CCCC2)no1)C(C)(C)C ZINC000661759193 1120810248 /nfs/dbraw/zinc/81/02/48/1120810248.db2.gz DCSXRXPGQPCIAQ-UHFFFAOYSA-N 1 2 263.385 3.514 20 30 CHEDLO C=CC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473172010 1120916552 /nfs/dbraw/zinc/91/65/52/1120916552.db2.gz IEKSXBPXKWABTH-CYBMUJFWSA-N 1 2 287.350 3.981 20 30 CHEDLO C=CC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000473172010 1120916554 /nfs/dbraw/zinc/91/65/54/1120916554.db2.gz IEKSXBPXKWABTH-CYBMUJFWSA-N 1 2 287.350 3.981 20 30 CHEDLO C=CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000182266031 1128951506 /nfs/dbraw/zinc/95/15/06/1128951506.db2.gz FSOVGWJKLVNDES-UHFFFAOYSA-N 1 2 271.191 3.786 20 30 CHEDLO Cc1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1C#N ZINC001175559880 1121387807 /nfs/dbraw/zinc/38/78/07/1121387807.db2.gz INGHLEJQDKOTOM-KRWDZBQOSA-N 1 2 286.325 3.806 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713009 1121434691 /nfs/dbraw/zinc/43/46/91/1121434691.db2.gz XQGMITMOAOTXFZ-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1C#N ZINC001175717670 1121436913 /nfs/dbraw/zinc/43/69/13/1121436913.db2.gz LLXURYFYXMXJBF-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000614176839 1121506312 /nfs/dbraw/zinc/50/63/12/1121506312.db2.gz OEOBCCIHTIWHQK-UHFFFAOYSA-N 1 2 258.340 3.547 20 30 CHEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000614176839 1121506318 /nfs/dbraw/zinc/50/63/18/1121506318.db2.gz OEOBCCIHTIWHQK-UHFFFAOYSA-N 1 2 258.340 3.547 20 30 CHEDLO C#Cc1cccc(Nc2ccc([N@@H+](C)CC)cc2)c1 ZINC001175978603 1121511957 /nfs/dbraw/zinc/51/19/57/1121511957.db2.gz NRNARJZYRMYXSM-UHFFFAOYSA-N 1 2 250.345 3.868 20 30 CHEDLO C#Cc1cccc(Nc2ccc([N@H+](C)CC)cc2)c1 ZINC001175978603 1121511966 /nfs/dbraw/zinc/51/19/66/1121511966.db2.gz NRNARJZYRMYXSM-UHFFFAOYSA-N 1 2 250.345 3.868 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000509790983 1121580243 /nfs/dbraw/zinc/58/02/43/1121580243.db2.gz YSMQGYUZCHLWLP-LLVKDONJSA-N 1 2 250.411 3.637 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000509790983 1121580234 /nfs/dbraw/zinc/58/02/34/1121580234.db2.gz YSMQGYUZCHLWLP-LLVKDONJSA-N 1 2 250.411 3.637 20 30 CHEDLO C#CCCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000758358473 1121589361 /nfs/dbraw/zinc/58/93/61/1121589361.db2.gz JOBHLKWRKHGFTK-QGOAFFKASA-N 1 2 251.329 3.768 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](c2ccccc2)O1 ZINC000070695012 1128996045 /nfs/dbraw/zinc/99/60/45/1128996045.db2.gz QQOBHXPKMRUZKM-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](c2ccccc2)O1 ZINC000070695012 1128996046 /nfs/dbraw/zinc/99/60/46/1128996046.db2.gz QQOBHXPKMRUZKM-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000611235932 1121630751 /nfs/dbraw/zinc/63/07/51/1121630751.db2.gz FRESSRIJZFBHCW-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000611235932 1121630753 /nfs/dbraw/zinc/63/07/53/1121630753.db2.gz FRESSRIJZFBHCW-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)s1 ZINC000611262749 1121631717 /nfs/dbraw/zinc/63/17/17/1121631717.db2.gz SVWCSBHZQMFPAV-LBPRGKRZSA-N 1 2 284.384 3.575 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000611262749 1121631720 /nfs/dbraw/zinc/63/17/20/1121631720.db2.gz SVWCSBHZQMFPAV-LBPRGKRZSA-N 1 2 284.384 3.575 20 30 CHEDLO C=C(C)C[N@H+](Cc1nccn1C1CC1)Cc1ccccc1 ZINC000894140067 1121647222 /nfs/dbraw/zinc/64/72/22/1121647222.db2.gz PPSGFNWXPMVSGN-UHFFFAOYSA-N 1 2 281.403 3.796 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1 ZINC000894140067 1121647224 /nfs/dbraw/zinc/64/72/24/1121647224.db2.gz PPSGFNWXPMVSGN-UHFFFAOYSA-N 1 2 281.403 3.796 20 30 CHEDLO CSc1cc(Nc2ccc(F)c(C#N)c2)cc[nH+]1 ZINC001176614323 1121660355 /nfs/dbraw/zinc/66/03/55/1121660355.db2.gz AINKWVMMQRKMBV-UHFFFAOYSA-N 1 2 259.309 3.558 20 30 CHEDLO Cc1oc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1C ZINC001176749733 1121686963 /nfs/dbraw/zinc/68/69/63/1121686963.db2.gz IKHJRMIYZKZPTP-UHFFFAOYSA-N 1 2 282.347 3.507 20 30 CHEDLO Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1 ZINC001176751178 1121687779 /nfs/dbraw/zinc/68/77/79/1121687779.db2.gz YCKKUYPKLRMDET-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1nccc(Cl)c1Cl ZINC001176813994 1121695853 /nfs/dbraw/zinc/69/58/53/1121695853.db2.gz IWMNLRMFDOKHCR-VIFPVBQESA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1nccc(Cl)c1Cl ZINC001176813994 1121695856 /nfs/dbraw/zinc/69/58/56/1121695856.db2.gz IWMNLRMFDOKHCR-VIFPVBQESA-N 1 2 257.164 3.539 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(C)ccc1O ZINC000730147313 1121794410 /nfs/dbraw/zinc/79/44/10/1121794410.db2.gz BJZDBZJUHBKNLL-UHFFFAOYSA-N 1 2 291.354 3.507 20 30 CHEDLO COc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730148495 1121794605 /nfs/dbraw/zinc/79/46/05/1121794605.db2.gz VHUHMTKYCJKCLW-UHFFFAOYSA-N 1 2 291.354 3.501 20 30 CHEDLO Fc1cccc(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730146653 1121794948 /nfs/dbraw/zinc/79/49/48/1121794948.db2.gz CVXMCFCWSYXFGY-UHFFFAOYSA-N 1 2 299.736 3.895 20 30 CHEDLO CCOc1ccc(/C=[NH+]\C[C@H]2CCc3ccccc32)c(O)c1 ZINC000731937645 1121896831 /nfs/dbraw/zinc/89/68/31/1121896831.db2.gz LSFYSZIUKCBOCN-CTFRJJSNSA-N 1 2 295.382 3.940 20 30 CHEDLO C#C[C@H](CCCC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082039 1121963545 /nfs/dbraw/zinc/96/35/45/1121963545.db2.gz QOMNQGROLARPDB-CQSZACIVSA-N 1 2 254.333 3.648 20 30 CHEDLO COCCC1(C/[NH+]=C\c2cccc(O)c2O)CCCCC1 ZINC000773905721 1122043265 /nfs/dbraw/zinc/04/32/65/1122043265.db2.gz LYWZCWOTCJQJGK-PDGQHHTCSA-N 1 2 291.391 3.504 20 30 CHEDLO C=C[C@@H](CC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421581806 1122139673 /nfs/dbraw/zinc/13/96/73/1122139673.db2.gz ZEAMSSOIADQGIT-KRWDZBQOSA-N 1 2 294.398 3.675 20 30 CHEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502743437 1122145502 /nfs/dbraw/zinc/14/55/02/1122145502.db2.gz BDEMKFZGCMIIRK-QGZVFWFLSA-N 1 2 297.377 3.766 20 30 CHEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502743437 1122145504 /nfs/dbraw/zinc/14/55/04/1122145504.db2.gz BDEMKFZGCMIIRK-QGZVFWFLSA-N 1 2 297.377 3.766 20 30 CHEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(Cl)cc1C#N ZINC000774719976 1122258276 /nfs/dbraw/zinc/25/82/76/1122258276.db2.gz VENZGRAWZGIFLQ-UHFFFAOYSA-N 1 2 299.761 3.567 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184969238 1122304066 /nfs/dbraw/zinc/30/40/66/1122304066.db2.gz YALPSNDURZOLOT-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000775152507 1122446329 /nfs/dbraw/zinc/44/63/29/1122446329.db2.gz NHZDXKUMDSEOTM-MNOVXSKESA-N 1 2 298.224 3.845 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCc2c(Br)cccc2C1 ZINC001190722254 1122552362 /nfs/dbraw/zinc/55/23/62/1122552362.db2.gz PGQXHWFLTRIUKJ-GFCCVEGCSA-N 1 2 292.220 3.609 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC001190722254 1122552363 /nfs/dbraw/zinc/55/23/63/1122552363.db2.gz PGQXHWFLTRIUKJ-GFCCVEGCSA-N 1 2 292.220 3.609 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(OC)cc1Cl ZINC000505867461 1122574208 /nfs/dbraw/zinc/57/42/08/1122574208.db2.gz GWQMFHGCIPQKAE-UHFFFAOYSA-N 1 2 251.757 3.523 20 30 CHEDLO CCCCCCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001191086828 1122576244 /nfs/dbraw/zinc/57/62/44/1122576244.db2.gz QYMYEBAKSBFQFV-UHFFFAOYSA-N 1 2 288.395 3.735 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437493830 1122637459 /nfs/dbraw/zinc/63/74/59/1122637459.db2.gz GXIXHJAMYRBIOM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437493830 1122637460 /nfs/dbraw/zinc/63/74/60/1122637460.db2.gz GXIXHJAMYRBIOM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cc(Cl)ccc1F ZINC001192574274 1122654056 /nfs/dbraw/zinc/65/40/56/1122654056.db2.gz CPILXTWFZUUFLP-SNVBAGLBSA-N 1 2 289.741 3.597 20 30 CHEDLO CCCCCCCOC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001194005124 1122737009 /nfs/dbraw/zinc/73/70/09/1122737009.db2.gz KMDADIOPHZQFTK-UHFFFAOYSA-N 1 2 293.411 3.627 20 30 CHEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237532509 1129078197 /nfs/dbraw/zinc/07/81/97/1129078197.db2.gz QXJHYWJQWGQEDY-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237532509 1129078201 /nfs/dbraw/zinc/07/82/01/1129078201.db2.gz QXJHYWJQWGQEDY-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1Br ZINC000426551846 1122819311 /nfs/dbraw/zinc/81/93/11/1122819311.db2.gz HZFFJOUAMUQLMN-GFCCVEGCSA-N 1 2 296.208 3.695 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000426551846 1122819318 /nfs/dbraw/zinc/81/93/18/1122819318.db2.gz HZFFJOUAMUQLMN-GFCCVEGCSA-N 1 2 296.208 3.695 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)[C@H]1c1cccnc1 ZINC000664823938 1122867380 /nfs/dbraw/zinc/86/73/80/1122867380.db2.gz RFBQCBCNPUDBOO-SFHVURJKSA-N 1 2 276.383 3.516 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)[C@H]1c1cccnc1 ZINC000664823938 1122867384 /nfs/dbraw/zinc/86/73/84/1122867384.db2.gz RFBQCBCNPUDBOO-SFHVURJKSA-N 1 2 276.383 3.516 20 30 CHEDLO CCCc1cc[nH+]c(NC=Cc2ccc(C#N)cc2)c1 ZINC001203302531 1122892732 /nfs/dbraw/zinc/89/27/32/1122892732.db2.gz SPKOWSTVBKWBSN-CSKARUKUSA-N 1 2 263.344 3.989 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001196348537 1122917803 /nfs/dbraw/zinc/91/78/03/1122917803.db2.gz OQMLRMAGMHKGHJ-DOMZBBRYSA-N 1 2 292.220 3.998 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001196348537 1122917807 /nfs/dbraw/zinc/91/78/07/1122917807.db2.gz OQMLRMAGMHKGHJ-DOMZBBRYSA-N 1 2 292.220 3.998 20 30 CHEDLO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201485495 1123106409 /nfs/dbraw/zinc/10/64/09/1123106409.db2.gz HXPSUDMJGSMFLS-ZFWWWQNUSA-N 1 2 279.449 3.643 20 30 CHEDLO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201485495 1123106411 /nfs/dbraw/zinc/10/64/11/1123106411.db2.gz HXPSUDMJGSMFLS-ZFWWWQNUSA-N 1 2 279.449 3.643 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(C#N)nc2)cc1 ZINC001201489563 1123108573 /nfs/dbraw/zinc/10/85/73/1123108573.db2.gz SVIHJWCJKRVGAB-UHFFFAOYSA-N 1 2 252.321 3.517 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2c(N)cccc2C#N)cc1 ZINC001201499435 1123111992 /nfs/dbraw/zinc/11/19/92/1123111992.db2.gz MXHOZAWMSMEQSE-UHFFFAOYSA-N 1 2 266.348 3.704 20 30 CHEDLO O=C1c2cc(F)ccc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000776192137 1123121396 /nfs/dbraw/zinc/12/13/96/1123121396.db2.gz IMAAGUDTONEYGB-UKTHLTGXSA-N 1 2 292.313 3.686 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000183828718 1129108789 /nfs/dbraw/zinc/10/87/89/1129108789.db2.gz JIODWVULJBRCAZ-GFCCVEGCSA-N 1 2 292.810 3.911 20 30 CHEDLO Cc1cc(F)c(C[NH+]2CCC(C#N)CC2)c(Cl)c1 ZINC000334562966 1123261851 /nfs/dbraw/zinc/26/18/51/1123261851.db2.gz XWIXRVKNMYGTQG-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccc(O)c1 ZINC000428200982 1123279864 /nfs/dbraw/zinc/27/98/64/1123279864.db2.gz ALEYTDVGSKVQHM-CYBMUJFWSA-N 1 2 298.361 3.986 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccc(O)c1 ZINC000428200982 1123279867 /nfs/dbraw/zinc/27/98/67/1123279867.db2.gz ALEYTDVGSKVQHM-CYBMUJFWSA-N 1 2 298.361 3.986 20 30 CHEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428241634 1123296303 /nfs/dbraw/zinc/29/63/03/1123296303.db2.gz RMWHIJUEZZDYDT-GOSISDBHSA-N 1 2 297.377 3.763 20 30 CHEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428241634 1123296304 /nfs/dbraw/zinc/29/63/04/1123296304.db2.gz RMWHIJUEZZDYDT-GOSISDBHSA-N 1 2 297.377 3.763 20 30 CHEDLO N#Cc1cc(F)c(Nc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC001204990868 1123406630 /nfs/dbraw/zinc/40/66/30/1123406630.db2.gz HTRCZJBRFXYZJZ-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC[C@@H](SC)C1 ZINC000853386223 1123438804 /nfs/dbraw/zinc/43/88/04/1123438804.db2.gz YLTWDPPNBYCUSA-UONOGXRCSA-N 1 2 290.432 3.570 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCC(F)(F)C1 ZINC000853449148 1123441235 /nfs/dbraw/zinc/44/12/35/1123441235.db2.gz FCRDKLAFKAMRRF-CYBMUJFWSA-N 1 2 294.345 3.864 20 30 CHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000853536321 1123443202 /nfs/dbraw/zinc/44/32/02/1123443202.db2.gz AFSXWJFWDBWUTM-NSHDSACASA-N 1 2 295.477 3.797 20 30 CHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000853536321 1123443204 /nfs/dbraw/zinc/44/32/04/1123443204.db2.gz AFSXWJFWDBWUTM-NSHDSACASA-N 1 2 295.477 3.797 20 30 CHEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccccc1C#N ZINC000052073730 1123476769 /nfs/dbraw/zinc/47/67/69/1123476769.db2.gz CIKRBOXNBNHREQ-CYBMUJFWSA-N 1 2 268.335 3.890 20 30 CHEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccccc1C#N ZINC000052073730 1123476770 /nfs/dbraw/zinc/47/67/70/1123476770.db2.gz CIKRBOXNBNHREQ-CYBMUJFWSA-N 1 2 268.335 3.890 20 30 CHEDLO CC(C)[N@H+](Cc1cccnc1)Cc1cccc(F)c1C#N ZINC000428298927 1123572606 /nfs/dbraw/zinc/57/26/06/1123572606.db2.gz VTZLSBVZBSWCIN-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1cccnc1)Cc1cccc(F)c1C#N ZINC000428298927 1123572610 /nfs/dbraw/zinc/57/26/10/1123572610.db2.gz VTZLSBVZBSWCIN-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000194313804 1129132977 /nfs/dbraw/zinc/13/29/77/1129132977.db2.gz SFJMXLSMSYHVHD-AVDJQCOYSA-N 1 2 295.382 3.979 20 30 CHEDLO Cc1cn2cc(NC(=O)NC3(C)CCCCC3)ccc2[nH+]1 ZINC000329469969 1123613429 /nfs/dbraw/zinc/61/34/29/1123613429.db2.gz XWDDFNKDRJWQBI-UHFFFAOYSA-N 1 2 286.379 3.501 20 30 CHEDLO Cc1cc[nH+]c(C)c1O[C@@H](C)c1ccccc1C#N ZINC001227263751 1123660507 /nfs/dbraw/zinc/66/05/07/1123660507.db2.gz HXWAEBVYZKKMMJ-ZDUSSCGKSA-N 1 2 252.317 3.710 20 30 CHEDLO Cc1c(C#N)cccc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000346313087 1123679401 /nfs/dbraw/zinc/67/94/01/1123679401.db2.gz DYNPBSGRERZFDM-UHFFFAOYSA-N 1 2 294.383 3.726 20 30 CHEDLO C=C1CC(C)(c2noc([C@H](c3ccccc3)[N@@H+](C)CC)n2)C1 ZINC000896920326 1123782158 /nfs/dbraw/zinc/78/21/58/1123782158.db2.gz MCLKAUSWKVTOJJ-HNNXBMFYSA-N 1 2 297.402 3.718 20 30 CHEDLO C=C1CC(C)(c2noc([C@H](c3ccccc3)[N@H+](C)CC)n2)C1 ZINC000896920326 1123782165 /nfs/dbraw/zinc/78/21/65/1123782165.db2.gz MCLKAUSWKVTOJJ-HNNXBMFYSA-N 1 2 297.402 3.718 20 30 CHEDLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C#N ZINC000042324029 1123783436 /nfs/dbraw/zinc/78/34/36/1123783436.db2.gz VMGZTSABXMRQHI-SNVBAGLBSA-N 1 2 271.191 3.975 20 30 CHEDLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C#N ZINC000042324029 1123783439 /nfs/dbraw/zinc/78/34/39/1123783439.db2.gz VMGZTSABXMRQHI-SNVBAGLBSA-N 1 2 271.191 3.975 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCCc2cccc(C)n2)c(O)c1 ZINC000794682316 1123926535 /nfs/dbraw/zinc/92/65/35/1123926535.db2.gz UYPPUIAPFZJBIS-CPNJWEJPSA-N 1 2 298.386 3.546 20 30 CHEDLO CCCc1cc(NC[C@@H](C)C#N)c2ccccc2[nH+]1 ZINC000302030027 1123950315 /nfs/dbraw/zinc/95/03/15/1123950315.db2.gz BMGWDZSNOFRZDQ-LBPRGKRZSA-N 1 2 253.349 3.759 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1cccc(C#N)c1O ZINC000866211660 1124037919 /nfs/dbraw/zinc/03/79/19/1124037919.db2.gz GEWBDCZCPOMRCG-SCLBCKFNSA-N 1 2 292.382 3.992 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1cccc(C#N)c1O ZINC000866222426 1124038266 /nfs/dbraw/zinc/03/82/66/1124038266.db2.gz DAVLRERRWLVJRF-NWDGAFQWSA-N 1 2 286.400 3.607 20 30 CHEDLO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866243350 1124040996 /nfs/dbraw/zinc/04/09/96/1124040996.db2.gz YLOMQLMQRXXRJH-ZDUSSCGKSA-N 1 2 296.370 3.513 20 30 CHEDLO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866319319 1124051910 /nfs/dbraw/zinc/05/19/10/1124051910.db2.gz IZFDPJSXFVFDNT-CYBMUJFWSA-N 1 2 278.355 3.604 20 30 CHEDLO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1cccc(C#N)c1O ZINC000866317933 1124052134 /nfs/dbraw/zinc/05/21/34/1124052134.db2.gz KWNZJFCBRMPZPM-CQSZACIVSA-N 1 2 292.382 3.994 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC000444743633 1124058873 /nfs/dbraw/zinc/05/88/73/1124058873.db2.gz ZWBRSVBYXQNDMU-UHFFFAOYSA-N 1 2 285.337 3.757 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC000444743633 1124058875 /nfs/dbraw/zinc/05/88/75/1124058875.db2.gz ZWBRSVBYXQNDMU-UHFFFAOYSA-N 1 2 285.337 3.757 20 30 CHEDLO CCc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866385023 1124059869 /nfs/dbraw/zinc/05/98/69/1124059869.db2.gz RAGYFSUIOVYCTF-CYBMUJFWSA-N 1 2 280.371 3.677 20 30 CHEDLO Cc1c[nH+]c(CCSCc2ccc(C#N)o2)c(C)c1 ZINC000871708385 1124631534 /nfs/dbraw/zinc/63/15/34/1124631534.db2.gz KHIFURKGXUJTSW-UHFFFAOYSA-N 1 2 272.373 3.639 20 30 CHEDLO C=CC(C)(C)CCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000872102182 1124682348 /nfs/dbraw/zinc/68/23/48/1124682348.db2.gz PXYWJGFAWKEGDV-CYBMUJFWSA-N 1 2 290.436 3.538 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(F)cc3F)c[nH+]c12 ZINC000125303702 1124880395 /nfs/dbraw/zinc/88/03/95/1124880395.db2.gz NZYBXRRHCCUMCX-FNORWQNLSA-N 1 2 298.292 3.817 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)s1 ZINC000125315759 1124881528 /nfs/dbraw/zinc/88/15/28/1124881528.db2.gz RDNHFLHVCRHYBT-VOTSOKGWSA-N 1 2 282.368 3.909 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(C#N)c1O ZINC000925224604 1124907434 /nfs/dbraw/zinc/90/74/34/1124907434.db2.gz JHVFRCXSJPJVCW-CXAGYDPISA-N 1 2 295.386 3.503 20 30 CHEDLO C[C@H](c1ccccc1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876545842 1124958214 /nfs/dbraw/zinc/95/82/14/1124958214.db2.gz VUFUEBSKCYQVMK-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876545842 1124958217 /nfs/dbraw/zinc/95/82/17/1124958217.db2.gz VUFUEBSKCYQVMK-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1ccccc1C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876533509 1124959147 /nfs/dbraw/zinc/95/91/47/1124959147.db2.gz JNTWKRMHUHSZJP-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccccc1C[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876533509 1124959155 /nfs/dbraw/zinc/95/91/55/1124959155.db2.gz JNTWKRMHUHSZJP-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1sc(C[NH+]2CCC(C#N)CC2)cc1Br ZINC000876652605 1124968103 /nfs/dbraw/zinc/96/81/03/1124968103.db2.gz DVCZSNIZZGYRPX-UHFFFAOYSA-N 1 2 299.237 3.555 20 30 CHEDLO Cc1sc(C[N@@H+](C)[C@@H](C)CC#N)cc1Br ZINC000876691064 1124970527 /nfs/dbraw/zinc/97/05/27/1124970527.db2.gz ZDSPKQCFLDEODX-QMMMGPOBSA-N 1 2 287.226 3.553 20 30 CHEDLO Cc1sc(C[N@H+](C)[C@@H](C)CC#N)cc1Br ZINC000876691064 1124970533 /nfs/dbraw/zinc/97/05/33/1124970533.db2.gz ZDSPKQCFLDEODX-QMMMGPOBSA-N 1 2 287.226 3.553 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NC1CCC(C#N)CC1 ZINC000876817576 1124979185 /nfs/dbraw/zinc/97/91/85/1124979185.db2.gz BHXRABIFIUVNNQ-UHFFFAOYSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+]C1CCC(C#N)CC1 ZINC000876817576 1124979190 /nfs/dbraw/zinc/97/91/90/1124979190.db2.gz BHXRABIFIUVNNQ-UHFFFAOYSA-N 1 2 257.381 3.555 20 30 CHEDLO CC(C)Oc1cc(C[N@H+](CC2(C#N)CCC2)C2CC2)ccn1 ZINC000450612003 1125071180 /nfs/dbraw/zinc/07/11/80/1125071180.db2.gz JTYWCJRBPINPFB-UHFFFAOYSA-N 1 2 299.418 3.527 20 30 CHEDLO CC(C)Oc1cc(C[N@@H+](CC2(C#N)CCC2)C2CC2)ccn1 ZINC000450612003 1125071188 /nfs/dbraw/zinc/07/11/88/1125071188.db2.gz JTYWCJRBPINPFB-UHFFFAOYSA-N 1 2 299.418 3.527 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878727960 1125176933 /nfs/dbraw/zinc/17/69/33/1125176933.db2.gz GXIVQFOCLJIGFG-CYBMUJFWSA-N 1 2 295.386 3.618 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878727960 1125176934 /nfs/dbraw/zinc/17/69/34/1125176934.db2.gz GXIVQFOCLJIGFG-CYBMUJFWSA-N 1 2 295.386 3.618 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1nc(CC)no1)c1ccccc1 ZINC000880388555 1125270981 /nfs/dbraw/zinc/27/09/81/1125270981.db2.gz MBQFCEDKHUYFIL-HNNXBMFYSA-N 1 2 285.391 3.819 20 30 CHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)CC2 ZINC000760230103 1125313742 /nfs/dbraw/zinc/31/37/42/1125313742.db2.gz SBFOFUAZKUURIX-UVTDQMKNSA-N 1 2 266.344 3.746 20 30 CHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)CC2 ZINC000760230100 1125313869 /nfs/dbraw/zinc/31/38/69/1125313869.db2.gz SBFOFUAZKUURIX-GXDHUFHOSA-N 1 2 266.344 3.746 20 30 CHEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000191136019 1125323140 /nfs/dbraw/zinc/32/31/40/1125323140.db2.gz KAQAXFYEBYRQTG-AWEZNQCLSA-N 1 2 286.375 3.537 20 30 CHEDLO C=CC[N@H+](CCOC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000191136019 1125323143 /nfs/dbraw/zinc/32/31/43/1125323143.db2.gz KAQAXFYEBYRQTG-AWEZNQCLSA-N 1 2 286.375 3.537 20 30 CHEDLO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1Cl)=C1CC1(F)F ZINC000841626417 1125323458 /nfs/dbraw/zinc/32/34/58/1125323458.db2.gz HBGDZZXEIJVDHR-MRVPVSSYSA-N 1 2 289.669 3.691 20 30 CHEDLO Cc1cc(NCc2ccc(O[C@H](C)C#N)cc2)c[nH+]c1C ZINC000883342084 1125398477 /nfs/dbraw/zinc/39/84/77/1125398477.db2.gz JZKNLHKDPZESSE-CYBMUJFWSA-N 1 2 281.359 3.601 20 30 CHEDLO CC[N@H+](Cc1nnc(C(C)C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000171145700 1125404742 /nfs/dbraw/zinc/40/47/42/1125404742.db2.gz VOYFWEWDJGBGAO-CYBMUJFWSA-N 1 2 298.390 3.648 20 30 CHEDLO CC[N@@H+](Cc1nnc(C(C)C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000171145700 1125404743 /nfs/dbraw/zinc/40/47/43/1125404743.db2.gz VOYFWEWDJGBGAO-CYBMUJFWSA-N 1 2 298.390 3.648 20 30 CHEDLO Cc1ccc2c(Nc3c(C#N)cnn3C(C)C)cccc2[nH+]1 ZINC001212796065 1125418351 /nfs/dbraw/zinc/41/83/51/1125418351.db2.gz QGZBAYWBFICVIL-UHFFFAOYSA-N 1 2 291.358 3.936 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Cl)s1 ZINC000133157587 1125433969 /nfs/dbraw/zinc/43/39/69/1125433969.db2.gz YZXRTBRFLHLVEH-SNAWJCMRSA-N 1 2 288.759 3.945 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CCC[C@@H]2CCCCO2)c1 ZINC000184307240 1129181928 /nfs/dbraw/zinc/18/19/28/1129181928.db2.gz IWWIRWLZBUSOOT-VUODPORTSA-N 1 2 291.391 3.559 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CC2Cc3ccccc3C2)c(O)c1 ZINC000735228507 1129335478 /nfs/dbraw/zinc/33/54/78/1129335478.db2.gz CLJGWSQNWAZQMR-MOSHPQCFSA-N 1 2 295.382 3.625 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc(C)c1F ZINC000741468313 1129436811 /nfs/dbraw/zinc/43/68/11/1129436811.db2.gz VLGNTLSEPSBHGE-VOTSOKGWSA-N 1 2 294.329 3.986 20 30 CHEDLO CCCc1cc(C#N)c(NC(=[NH2+])C(C)(C)C)nc1Cl ZINC001155180256 1129443640 /nfs/dbraw/zinc/44/36/40/1129443640.db2.gz ODTFMUZFDUCFCR-UHFFFAOYSA-N 1 2 278.787 3.994 20 30 CHEDLO Cc1ccc([C@@H](C)C/[NH+]=C/c2ccccc2O)cc1 ZINC000737440558 1129447215 /nfs/dbraw/zinc/44/72/15/1129447215.db2.gz LWHBTTOFHREMLT-QCUKBLKESA-N 1 2 253.345 3.923 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000645249432 1129493307 /nfs/dbraw/zinc/49/33/07/1129493307.db2.gz HOCHTTXHJBXXPS-XJKSGUPXSA-N 1 2 277.795 3.515 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000645249432 1129493308 /nfs/dbraw/zinc/49/33/08/1129493308.db2.gz HOCHTTXHJBXXPS-XJKSGUPXSA-N 1 2 277.795 3.515 20 30 CHEDLO C#Cc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000766446517 1129665433 /nfs/dbraw/zinc/66/54/33/1129665433.db2.gz NVRVUVJTMQPTFK-UHFFFAOYSA-N 1 2 279.368 3.527 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OC(C)(C)C)c1)C1CC1 ZINC001168836182 1129675794 /nfs/dbraw/zinc/67/57/94/1129675794.db2.gz AYUHTDGOTKGPIC-AWEZNQCLSA-N 1 2 286.419 3.988 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1CC1 ZINC001168836182 1129675795 /nfs/dbraw/zinc/67/57/95/1129675795.db2.gz AYUHTDGOTKGPIC-AWEZNQCLSA-N 1 2 286.419 3.988 20 30 CHEDLO CCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001239565884 1131390068 /nfs/dbraw/zinc/39/00/68/1131390068.db2.gz NJCDHBDUHRPFOA-DEDYPNTBSA-N 1 2 293.370 3.845 20 30 CHEDLO C[C@](C#N)(Nc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC001169381345 1129723271 /nfs/dbraw/zinc/72/32/71/1129723271.db2.gz SZYQGLRLESEZKE-MRXNPFEDSA-N 1 2 296.761 3.839 20 30 CHEDLO C=C(C)C[N@@H+](C/C=C\Cl)Cc1cnn(C(C)C)c1 ZINC000796452635 1129728688 /nfs/dbraw/zinc/72/86/88/1129728688.db2.gz WDRGUJNTWPNNFE-WAYWQWQTSA-N 1 2 267.804 3.595 20 30 CHEDLO C=C(C)C[N@H+](C/C=C\Cl)Cc1cnn(C(C)C)c1 ZINC000796452635 1129728691 /nfs/dbraw/zinc/72/86/91/1129728691.db2.gz WDRGUJNTWPNNFE-WAYWQWQTSA-N 1 2 267.804 3.595 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCCCc2ccccc2)c1 ZINC000798068572 1129728774 /nfs/dbraw/zinc/72/87/74/1129728774.db2.gz QLJBTOIJGSSQFX-XMHGGMMESA-N 1 2 283.371 3.843 20 30 CHEDLO C#C[C@@](C)(CC)Nc1cc[nH+]c(OCc2ccccc2)c1 ZINC001169697143 1129747852 /nfs/dbraw/zinc/74/78/52/1129747852.db2.gz HFRFMMMOWXIUIL-SFHVURJKSA-N 1 2 280.371 3.874 20 30 CHEDLO CCN(CC)c1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000767292753 1129784800 /nfs/dbraw/zinc/78/48/00/1129784800.db2.gz WXKXSTRNTCPGMT-UHFFFAOYSA-N 1 2 294.402 3.606 20 30 CHEDLO Cc1cc(CNc2ccc([NH+](C)C)cc2C)ccc1C#N ZINC000767681302 1129808496 /nfs/dbraw/zinc/80/84/96/1129808496.db2.gz LWIBNBSUANVBRJ-UHFFFAOYSA-N 1 2 279.387 3.853 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768153218 1129836926 /nfs/dbraw/zinc/83/69/26/1129836926.db2.gz AWQVUERQIZPLAX-UHFFFAOYSA-N 1 2 296.361 3.968 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](CCC#N)CC(C)C)c1 ZINC000768153218 1129836929 /nfs/dbraw/zinc/83/69/29/1129836929.db2.gz AWQVUERQIZPLAX-UHFFFAOYSA-N 1 2 296.361 3.968 20 30 CHEDLO C=C1CC[NH+](Cc2c(C)nn(CCCC)c2Cl)CC1 ZINC000769338011 1129903886 /nfs/dbraw/zinc/90/38/86/1129903886.db2.gz JXIZZAZFPINEQJ-UHFFFAOYSA-N 1 2 281.831 3.797 20 30 CHEDLO O=C1c2cccc(Cl)c2O/C1=C/c1cccc2[nH+]ccn21 ZINC000769611074 1129918991 /nfs/dbraw/zinc/91/89/91/1129918991.db2.gz VKXUKDRCLJZCKF-UKTHLTGXSA-N 1 2 296.713 3.604 20 30 CHEDLO Cc1ccc(F)c(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000769614107 1129919768 /nfs/dbraw/zinc/91/97/68/1129919768.db2.gz HFQVMOHMSZPXCQ-VURMDHGXSA-N 1 2 280.302 3.678 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901416642 1129922707 /nfs/dbraw/zinc/92/27/07/1129922707.db2.gz YCVNCACRPIQKBQ-CMDGGOBGSA-N 1 2 254.333 3.669 20 30 CHEDLO Cc1[nH]c(/C=C\C(=O)c2ccc(OC(C)C)cc2)[nH+]c1C ZINC000901437074 1129925643 /nfs/dbraw/zinc/92/56/43/1129925643.db2.gz BCPQHLKGZOLBFE-KTKRTIGZSA-N 1 2 284.359 3.710 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)s1 ZINC000901437750 1129925734 /nfs/dbraw/zinc/92/57/34/1129925734.db2.gz CXRUFCZWOLQTHN-WAYWQWQTSA-N 1 2 260.362 3.730 20 30 CHEDLO Cc1cc(C)cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901473520 1129928090 /nfs/dbraw/zinc/92/80/90/1129928090.db2.gz HJHCEUSJGRPRPM-AATRIKPKSA-N 1 2 268.360 3.977 20 30 CHEDLO Cc1ccsc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901473880 1129928219 /nfs/dbraw/zinc/92/82/19/1129928219.db2.gz DVLFTJWWZSHYMW-PLNGDYQASA-N 1 2 260.362 3.730 20 30 CHEDLO Cc1ccc2c(c1)OCC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901484959 1129929421 /nfs/dbraw/zinc/92/94/21/1129929421.db2.gz ARFJMDXBIZQZCT-ZROIWOOFSA-N 1 2 296.370 3.821 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2cccc(C)c2[C@H]1C ZINC000901489036 1129930372 /nfs/dbraw/zinc/93/03/72/1129930372.db2.gz LXEQIGIVMTZTAH-IYVNWDGISA-N 1 2 266.344 3.595 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 ZINC000901488830 1129930552 /nfs/dbraw/zinc/93/05/52/1129930552.db2.gz INUCIBBWFXUNCX-SLVCOGOPSA-N 1 2 278.355 3.603 20 30 CHEDLO Cc1[nH]c(/C=C2/C(=O)c3cccc(C)c3[C@@H]2C)[nH+]c1C ZINC000901490344 1129930652 /nfs/dbraw/zinc/93/06/52/1129930652.db2.gz VBOJZVJETVMQTF-WWNSAXIVSA-N 1 2 266.344 3.718 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000769962113 1129931493 /nfs/dbraw/zinc/93/14/93/1129931493.db2.gz RNGOEDSSLJXUCO-SNVBAGLBSA-N 1 2 292.354 3.542 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000769962113 1129931496 /nfs/dbraw/zinc/93/14/96/1129931496.db2.gz RNGOEDSSLJXUCO-SNVBAGLBSA-N 1 2 292.354 3.542 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C[C@@H](C)c2ccsc2C1=O ZINC000901518556 1129933395 /nfs/dbraw/zinc/93/33/95/1129933395.db2.gz MDHUSMRDZLMAKL-PAKSIRSJSA-N 1 2 272.373 3.738 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCCC(=O)c1ccccc1 ZINC001170015854 1129953324 /nfs/dbraw/zinc/95/33/24/1129953324.db2.gz UQQRQGYLEUOZND-UHFFFAOYSA-N 1 2 280.371 3.803 20 30 CHEDLO Cc1cc(C)c(NN=Cc2cccc3[nH+]ccn32)c(C)c1 ZINC000771098911 1129972277 /nfs/dbraw/zinc/97/22/77/1129972277.db2.gz AFZSIRURICDXSX-UHFFFAOYSA-N 1 2 278.359 3.706 20 30 CHEDLO C=CC[N@H+](Cn1c2ccccc2oc1=S)C1CC1 ZINC000771640707 1129986967 /nfs/dbraw/zinc/98/69/67/1129986967.db2.gz QSJCOFIQFJZTFZ-UHFFFAOYSA-N 1 2 260.362 3.572 20 30 CHEDLO C=CC[N@@H+](Cn1c2ccccc2oc1=S)C1CC1 ZINC000771640707 1129986969 /nfs/dbraw/zinc/98/69/69/1129986969.db2.gz QSJCOFIQFJZTFZ-UHFFFAOYSA-N 1 2 260.362 3.572 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCCc1ccccn1 ZINC000771837191 1129990220 /nfs/dbraw/zinc/99/02/20/1129990220.db2.gz VDGRZWPHLNQYDC-ZHZULCJRSA-N 1 2 290.366 3.992 20 30 CHEDLO Cc1ccc(O)c(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c1 ZINC000771860990 1129991890 /nfs/dbraw/zinc/99/18/90/1129991890.db2.gz UMKCECKIOSCTOG-FNORWQNLSA-N 1 2 292.338 3.553 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C\c1c[nH+]c3ccc(C)cn13)C2=O ZINC000771858265 1129994334 /nfs/dbraw/zinc/99/43/34/1129994334.db2.gz IWHJNLJSLJRSJM-OQLLNIDSSA-N 1 2 288.350 3.774 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C/c1c[nH+]c3ccc(C)cn13)C2=O ZINC000771858258 1129994603 /nfs/dbraw/zinc/99/46/03/1129994603.db2.gz IWHJNLJSLJRSJM-DHDCSXOGSA-N 1 2 288.350 3.774 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3[nH]ccc3c2)cc1C#N ZINC001239695987 1130059360 /nfs/dbraw/zinc/05/93/60/1130059360.db2.gz JXYXONSTKBHGFX-CIAFOILYSA-N 1 2 288.354 3.928 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785996901 1130073373 /nfs/dbraw/zinc/07/33/73/1130073373.db2.gz PJHXMTVYMUOGQC-LBPRGKRZSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000785996901 1130073380 /nfs/dbraw/zinc/07/33/80/1130073380.db2.gz PJHXMTVYMUOGQC-LBPRGKRZSA-N 1 2 280.755 3.789 20 30 CHEDLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903030750 1130101991 /nfs/dbraw/zinc/10/19/91/1130101991.db2.gz FROAQELYTMDHJU-LLVKDONJSA-N 1 2 278.783 3.693 20 30 CHEDLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106407 1130113852 /nfs/dbraw/zinc/11/38/52/1130113852.db2.gz PLKBWROIUKIBNU-LLVKDONJSA-N 1 2 278.783 3.693 20 30 CHEDLO N#CC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCC1 ZINC000903109290 1130114733 /nfs/dbraw/zinc/11/47/33/1130114733.db2.gz MMZAKSVBNKRXGQ-HNNXBMFYSA-N 1 2 286.423 3.705 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1ncccn1)c1cccc(Cl)c1 ZINC000903203665 1130130202 /nfs/dbraw/zinc/13/02/02/1130130202.db2.gz MUVHIVRPJIQFDE-HNNXBMFYSA-N 1 2 287.794 3.927 20 30 CHEDLO COc1ccc2c(c1Cl)[C@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903218356 1130130901 /nfs/dbraw/zinc/13/09/01/1130130901.db2.gz BKKLBOJOBMKYBZ-GFCCVEGCSA-N 1 2 290.794 3.619 20 30 CHEDLO C=C(Br)C[N@H+](CCc1ccccc1)C1CC1 ZINC000746651418 1130137583 /nfs/dbraw/zinc/13/75/83/1130137583.db2.gz UFGQUOKOZBKKSX-UHFFFAOYSA-N 1 2 280.209 3.602 20 30 CHEDLO C=C(Br)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746651418 1130137584 /nfs/dbraw/zinc/13/75/84/1130137584.db2.gz UFGQUOKOZBKKSX-UHFFFAOYSA-N 1 2 280.209 3.602 20 30 CHEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001240155139 1130227112 /nfs/dbraw/zinc/22/71/12/1130227112.db2.gz VYSSFMZMXONPPV-UHFFFAOYSA-N 1 2 277.302 3.609 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(F)c3)n21 ZINC000748994311 1130258184 /nfs/dbraw/zinc/25/81/84/1130258184.db2.gz MGKQZQDYQUNXCJ-CMDGGOBGSA-N 1 2 280.302 3.678 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccccc3)n21 ZINC000748998873 1130259192 /nfs/dbraw/zinc/25/91/92/1130259192.db2.gz ICVQNGCQWVDUOY-ZHACJKMWSA-N 1 2 262.312 3.539 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)cc1 ZINC000748999761 1130259396 /nfs/dbraw/zinc/25/93/96/1130259396.db2.gz LICGHUIHQQGQAR-ZHACJKMWSA-N 1 2 276.339 3.847 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2cccc(C)c2)c1 ZINC000749103855 1130264486 /nfs/dbraw/zinc/26/44/86/1130264486.db2.gz DJTAJGCEQYCERE-UYRXBGFRSA-N 1 2 283.371 3.761 20 30 CHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ncccc2C)cc1 ZINC000790185704 1130294630 /nfs/dbraw/zinc/29/46/30/1130294630.db2.gz KZKRUYBCWWXZLI-UHFFFAOYSA-N 1 2 282.391 3.682 20 30 CHEDLO CC(=NNc1[nH+]ccn1C)c1ccc(Cl)c(Cl)c1 ZINC000790302077 1130309219 /nfs/dbraw/zinc/30/92/19/1130309219.db2.gz MKEUOSVGSRWATO-UHFFFAOYSA-N 1 2 283.162 3.563 20 30 CHEDLO C#CCCCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000790559891 1130319465 /nfs/dbraw/zinc/31/94/65/1130319465.db2.gz MAZLRZYTVXWXRX-UHFFFAOYSA-N 1 2 270.401 3.827 20 30 CHEDLO C=C(CC)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000678626064 1130443178 /nfs/dbraw/zinc/44/31/78/1130443178.db2.gz BOOMHOWTLBOLKO-UHFFFAOYSA-N 1 2 286.238 3.835 20 30 CHEDLO C=C(CC)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000678626064 1130443184 /nfs/dbraw/zinc/44/31/84/1130443184.db2.gz BOOMHOWTLBOLKO-UHFFFAOYSA-N 1 2 286.238 3.835 20 30 CHEDLO N#CCOc1ccccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001212600520 1130468348 /nfs/dbraw/zinc/46/83/48/1130468348.db2.gz XWOIQGUYYFGQLJ-UHFFFAOYSA-N 1 2 290.326 3.518 20 30 CHEDLO C=CCCCNc1cc(C)[nH+]c(-c2ccccc2)n1 ZINC001170296515 1130476680 /nfs/dbraw/zinc/47/66/80/1130476680.db2.gz MGBJHXJFLZNRAL-UHFFFAOYSA-N 1 2 253.349 3.830 20 30 CHEDLO CCCc1cc(NCC(C)(C)S)nc(CCC)[nH+]1 ZINC001170305276 1130478484 /nfs/dbraw/zinc/47/84/84/1130478484.db2.gz VLXUEPLSTFMTEU-UHFFFAOYSA-N 1 2 267.442 3.502 20 30 CHEDLO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001170288817 1130481059 /nfs/dbraw/zinc/48/10/59/1130481059.db2.gz XIEPTQFLXJKMDD-OLZOCXBDSA-N 1 2 262.784 3.507 20 30 CHEDLO C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H](C#N)C1 ZINC001170288817 1130481061 /nfs/dbraw/zinc/48/10/61/1130481061.db2.gz XIEPTQFLXJKMDD-OLZOCXBDSA-N 1 2 262.784 3.507 20 30 CHEDLO CC1(CN[NH+]=Cc2ccc(N3CCCCC3)o2)CCCC1 ZINC000793081515 1130516126 /nfs/dbraw/zinc/51/61/26/1130516126.db2.gz MAZLAVKWOKDAGX-UHFFFAOYSA-N 1 2 289.423 3.774 20 30 CHEDLO C=C(C)COCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806146460 1130624215 /nfs/dbraw/zinc/62/42/15/1130624215.db2.gz AWBFNSJBYNYRCC-CQSZACIVSA-N 1 2 283.799 3.679 20 30 CHEDLO Cc1cc(Nc2ccc(C#N)c([N+](=O)[O-])c2)ccc1[NH+](C)C ZINC000811725486 1130641303 /nfs/dbraw/zinc/64/13/03/1130641303.db2.gz CAZARQBSRKDLMO-UHFFFAOYSA-N 1 2 296.330 3.585 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1csc(-c2ccccc2F)n1 ZINC000812244231 1130678678 /nfs/dbraw/zinc/67/86/78/1130678678.db2.gz GNHYXPZJWSQUDZ-AATRIKPKSA-N 1 2 299.330 3.568 20 30 CHEDLO C#CC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)c1ccccc1 ZINC000782150609 1130756184 /nfs/dbraw/zinc/75/61/84/1130756184.db2.gz NYSONPIMJXXGPB-QGZVFWFLSA-N 1 2 291.398 3.840 20 30 CHEDLO CCOc1ccc(/C=[NH+]\C[C@H](SC)C(C)(C)C)c(O)c1 ZINC000783681391 1130846685 /nfs/dbraw/zinc/84/66/85/1130846685.db2.gz FJBWJFLEBCSSKM-HAKPAVFJSA-N 1 2 295.448 3.988 20 30 CHEDLO C=CCC(C)(C)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000814369762 1130867940 /nfs/dbraw/zinc/86/79/40/1130867940.db2.gz MSEKOPFKFRLQTG-UHFFFAOYSA-N 1 2 287.411 3.596 20 30 CHEDLO C[N@H+](Cc1cc2ccccc2c(Cl)n1)CC(C)(C)C#N ZINC000814669491 1130897445 /nfs/dbraw/zinc/89/74/45/1130897445.db2.gz RLYNEXYAIBCQOH-UHFFFAOYSA-N 1 2 287.794 3.870 20 30 CHEDLO C[N@@H+](Cc1cc2ccccc2c(Cl)n1)CC(C)(C)C#N ZINC000814669491 1130897452 /nfs/dbraw/zinc/89/74/52/1130897452.db2.gz RLYNEXYAIBCQOH-UHFFFAOYSA-N 1 2 287.794 3.870 20 30 CHEDLO CC(C)[C@H](C#N)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236314573 1130912084 /nfs/dbraw/zinc/91/20/84/1130912084.db2.gz CCZFKVFRACHMFN-HNNXBMFYSA-N 1 2 251.333 3.594 20 30 CHEDLO CCC(=[NH+]Nc1cc([N+](=O)[O-])ccc1C)c1cccc(N)c1 ZINC000814822855 1130917610 /nfs/dbraw/zinc/91/76/10/1130917610.db2.gz HDDPOBLSVMSJDO-UHFFFAOYSA-N 1 2 298.346 3.712 20 30 CHEDLO Cc1cc(Br)sc1C[NH+]1CCC(C#N)CC1 ZINC001236830880 1131015744 /nfs/dbraw/zinc/01/57/44/1131015744.db2.gz XKJBVHVTBWUFNN-UHFFFAOYSA-N 1 2 299.237 3.555 20 30 CHEDLO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000798936871 1131062605 /nfs/dbraw/zinc/06/26/05/1131062605.db2.gz MEJWDVACIACELR-MWLCHTKSSA-N 1 2 255.308 3.676 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)ccn1 ZINC001237462744 1131102437 /nfs/dbraw/zinc/10/24/37/1131102437.db2.gz JOLFRQQIEZCZGW-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)ccn1 ZINC001237462744 1131102438 /nfs/dbraw/zinc/10/24/38/1131102438.db2.gz JOLFRQQIEZCZGW-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO Cc1cc(C)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c(O)c1 ZINC000799896537 1131113682 /nfs/dbraw/zinc/11/36/82/1131113682.db2.gz WEYVTCLOOIFNOO-VOTSOKGWSA-N 1 2 292.338 3.553 20 30 CHEDLO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1F ZINC001116227515 1131135906 /nfs/dbraw/zinc/13/59/06/1131135906.db2.gz KCFULHHQVUNZMM-UHFFFAOYSA-N 1 2 293.345 3.811 20 30 CHEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1F ZINC001116227515 1131135910 /nfs/dbraw/zinc/13/59/10/1131135910.db2.gz KCFULHHQVUNZMM-UHFFFAOYSA-N 1 2 293.345 3.811 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3coc(C(C)C)n3)c[nH+]c12 ZINC000752891777 1131138126 /nfs/dbraw/zinc/13/81/26/1131138126.db2.gz UTLAWGIODTWNJN-VOTSOKGWSA-N 1 2 295.342 3.650 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(Cl)cc(C#N)c1 ZINC001237756695 1131139381 /nfs/dbraw/zinc/13/93/81/1131139381.db2.gz MIEKQMABJJEDMM-UHFFFAOYSA-N 1 2 275.783 3.727 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(Cl)cc(C#N)c1 ZINC001237756695 1131139382 /nfs/dbraw/zinc/13/93/82/1131139382.db2.gz MIEKQMABJJEDMM-UHFFFAOYSA-N 1 2 275.783 3.727 20 30 CHEDLO C=CCCCCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817167580 1131144823 /nfs/dbraw/zinc/14/48/23/1131144823.db2.gz PAOLROOINGIIKT-UHFFFAOYSA-N 1 2 289.423 3.634 20 30 CHEDLO N#CCC1CC[NH+](Cc2cncc(Cl)c2Cl)CC1 ZINC001238009768 1131161343 /nfs/dbraw/zinc/16/13/43/1131161343.db2.gz UZMRIGFTOQVZSH-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CCCCCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458720 1131162800 /nfs/dbraw/zinc/16/28/00/1131162800.db2.gz JUVSAONTIGWHOM-UHFFFAOYSA-N 1 2 262.397 3.675 20 30 CHEDLO Cc1cc(F)cc(C[N@H+](CCC#N)Cc2ccccc2)c1O ZINC001238059029 1131164524 /nfs/dbraw/zinc/16/45/24/1131164524.db2.gz YKZILOKXJGMBGC-UHFFFAOYSA-N 1 2 298.361 3.756 20 30 CHEDLO Cc1cc(F)cc(C[N@@H+](CCC#N)Cc2ccccc2)c1O ZINC001238059029 1131164526 /nfs/dbraw/zinc/16/45/26/1131164526.db2.gz YKZILOKXJGMBGC-UHFFFAOYSA-N 1 2 298.361 3.756 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(OC(C)C)ccc1C ZINC001238485995 1131207208 /nfs/dbraw/zinc/20/72/08/1131207208.db2.gz PTKCNSNRAJFPBH-UHFFFAOYSA-N 1 2 260.381 3.518 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(OC(C)C)ccc1C ZINC001238485995 1131207211 /nfs/dbraw/zinc/20/72/11/1131207211.db2.gz PTKCNSNRAJFPBH-UHFFFAOYSA-N 1 2 260.381 3.518 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NCOc3ccccc3)c2c1 ZINC001159702356 1131211670 /nfs/dbraw/zinc/21/16/70/1131211670.db2.gz QBXSDPKEYPWZKS-UHFFFAOYSA-N 1 2 275.311 3.555 20 30 CHEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001118196016 1131215647 /nfs/dbraw/zinc/21/56/47/1131215647.db2.gz WLCALFRCBGQMEN-KRWDZBQOSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001118196016 1131215651 /nfs/dbraw/zinc/21/56/51/1131215651.db2.gz WLCALFRCBGQMEN-KRWDZBQOSA-N 1 2 297.789 3.944 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238586154 1131218559 /nfs/dbraw/zinc/21/85/59/1131218559.db2.gz GKCZXGUNRZXRQC-CYBMUJFWSA-N 1 2 298.336 3.977 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238586154 1131218563 /nfs/dbraw/zinc/21/85/63/1131218563.db2.gz GKCZXGUNRZXRQC-CYBMUJFWSA-N 1 2 298.336 3.977 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137864627 1131426177 /nfs/dbraw/zinc/42/61/77/1131426177.db2.gz AHOWWJIMHUGIKO-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137864627 1131426182 /nfs/dbraw/zinc/42/61/82/1131426182.db2.gz AHOWWJIMHUGIKO-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO COc1ccc([N@H+](CCCSCC#N)CC2CC2)cc1 ZINC000831587714 1131491374 /nfs/dbraw/zinc/49/13/74/1131491374.db2.gz IAWLSIXQTRBGAM-UHFFFAOYSA-N 1 2 290.432 3.558 20 30 CHEDLO COc1ccc([N@@H+](CCCSCC#N)CC2CC2)cc1 ZINC000831587714 1131491379 /nfs/dbraw/zinc/49/13/79/1131491379.db2.gz IAWLSIXQTRBGAM-UHFFFAOYSA-N 1 2 290.432 3.558 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cnc(-c2ccccc2)s1 ZINC001138530525 1131517846 /nfs/dbraw/zinc/51/78/46/1131517846.db2.gz QWJZRAXFPJDUNP-UHFFFAOYSA-N 1 2 285.416 3.936 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)s1 ZINC001138530525 1131517849 /nfs/dbraw/zinc/51/78/49/1131517849.db2.gz QWJZRAXFPJDUNP-UHFFFAOYSA-N 1 2 285.416 3.936 20 30 CHEDLO CCCCc1ccc(C[N@@H+](CC)CCC#N)s1 ZINC001138757595 1131547470 /nfs/dbraw/zinc/54/74/70/1131547470.db2.gz ZRWFOLLUQKFDHW-UHFFFAOYSA-N 1 2 250.411 3.826 20 30 CHEDLO CCCCc1ccc(C[N@H+](CC)CCC#N)s1 ZINC001138757595 1131547467 /nfs/dbraw/zinc/54/74/67/1131547467.db2.gz ZRWFOLLUQKFDHW-UHFFFAOYSA-N 1 2 250.411 3.826 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939683 1131556167 /nfs/dbraw/zinc/55/61/67/1131556167.db2.gz MAOSZNHDKLPFKO-KRWDZBQOSA-N 1 2 283.375 3.722 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2cccs2)s1 ZINC001139017255 1131572525 /nfs/dbraw/zinc/57/25/25/1131572525.db2.gz MJXJDJHYOIKFQH-UHFFFAOYSA-N 1 2 262.403 3.822 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2cccs2)s1 ZINC001139017255 1131572529 /nfs/dbraw/zinc/57/25/29/1131572529.db2.gz MJXJDJHYOIKFQH-UHFFFAOYSA-N 1 2 262.403 3.822 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+](CCC#N)CCCC ZINC001139032966 1131574520 /nfs/dbraw/zinc/57/45/20/1131574520.db2.gz XKOIHJWGHDZDNN-UHFFFAOYSA-N 1 2 272.392 3.767 20 30 CHEDLO C=CCOc1ccccc1C[N@H+](CCC#N)CCCC ZINC001139032966 1131574523 /nfs/dbraw/zinc/57/45/23/1131574523.db2.gz XKOIHJWGHDZDNN-UHFFFAOYSA-N 1 2 272.392 3.767 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCSc3ccccc3C2)c1 ZINC001139650180 1131626920 /nfs/dbraw/zinc/62/69/20/1131626920.db2.gz SKZQUGAROBQXJN-UHFFFAOYSA-N 1 2 298.386 3.805 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001139650180 1131626921 /nfs/dbraw/zinc/62/69/21/1131626921.db2.gz SKZQUGAROBQXJN-UHFFFAOYSA-N 1 2 298.386 3.805 20 30 CHEDLO CC[N@H+](Cc1ccncc1)Cc1cccc(Cl)c1C#N ZINC001139690072 1131628617 /nfs/dbraw/zinc/62/86/17/1131628617.db2.gz NWHCBIGSUQDVKH-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccncc1)Cc1cccc(Cl)c1C#N ZINC001139690072 1131628619 /nfs/dbraw/zinc/62/86/19/1131628619.db2.gz NWHCBIGSUQDVKH-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C#N)cc1F ZINC000772921337 1131630344 /nfs/dbraw/zinc/63/03/44/1131630344.db2.gz CFZRSYXJYIWARJ-UHFFFAOYSA-N 1 2 283.350 3.684 20 30 CHEDLO C=C[C@H](C#CC(C)(C)C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228330117 1131859302 /nfs/dbraw/zinc/85/93/02/1131859302.db2.gz VJZLHSMVFDVIQG-CYBMUJFWSA-N 1 2 268.360 3.854 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1cccc[nH+]1 ZINC001171368558 1131917721 /nfs/dbraw/zinc/91/77/21/1131917721.db2.gz HGHWFFRSHCZIEO-ZDUSSCGKSA-N 1 2 254.333 3.820 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001140893231 1131959444 /nfs/dbraw/zinc/95/94/44/1131959444.db2.gz LNPVNZOWEKLILJ-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001140893231 1131959451 /nfs/dbraw/zinc/95/94/51/1131959451.db2.gz LNPVNZOWEKLILJ-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141120274 1132022970 /nfs/dbraw/zinc/02/29/70/1132022970.db2.gz NNYONOXRUUCBKU-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141120274 1132022975 /nfs/dbraw/zinc/02/29/75/1132022975.db2.gz NNYONOXRUUCBKU-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO CC[NH+]1CC(Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229374215 1132059711 /nfs/dbraw/zinc/05/97/11/1132059711.db2.gz IBZCMJGCVKZCJF-UHFFFAOYSA-N 1 2 298.361 3.659 20 30 CHEDLO C=CCC[C@H](CC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954534 1132136723 /nfs/dbraw/zinc/13/67/23/1132136723.db2.gz QOFSAILFTSOCIO-HNNXBMFYSA-N 1 2 256.349 3.996 20 30 CHEDLO N#C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC001229955219 1132136740 /nfs/dbraw/zinc/13/67/40/1132136740.db2.gz YWGZUHXGLQKWPU-KRWDZBQOSA-N 1 2 293.301 3.655 20 30 CHEDLO CC[C@H](C)OCC[C@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172315238 1132156379 /nfs/dbraw/zinc/15/63/79/1132156379.db2.gz GKIKAHNBZPLKRX-GJZGRUSLSA-N 1 2 266.429 3.786 20 30 CHEDLO CCCCCCC[C@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001172354852 1132184806 /nfs/dbraw/zinc/18/48/06/1132184806.db2.gz KXHUDWSKXXIPDG-UONOGXRCSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001172354852 1132184810 /nfs/dbraw/zinc/18/48/10/1132184810.db2.gz KXHUDWSKXXIPDG-UONOGXRCSA-N 1 2 257.393 3.738 20 30 CHEDLO CC#CC[C@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083064 1132252570 /nfs/dbraw/zinc/25/25/70/1132252570.db2.gz BPTAJCOQTQUUTO-HNNXBMFYSA-N 1 2 268.360 3.658 20 30 CHEDLO C#C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC001231082659 1132253302 /nfs/dbraw/zinc/25/33/02/1132253302.db2.gz XOJIVBXENVCZPH-KRWDZBQOSA-N 1 2 274.323 3.830 20 30 CHEDLO C[C@H](C#C[Si](C)(C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082628 1132253880 /nfs/dbraw/zinc/25/38/80/1132253880.db2.gz XLIKMPVUVJYTFR-CYBMUJFWSA-N 1 2 284.435 3.725 20 30 CHEDLO C#C[C@H](CCCC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083971 1132254508 /nfs/dbraw/zinc/25/45/08/1132254508.db2.gz RLHMKDPUYKOKHD-OAHLLOKOSA-N 1 2 268.360 3.658 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(SC)s1 ZINC001142027909 1132300963 /nfs/dbraw/zinc/30/09/63/1132300963.db2.gz UKQUXNSIQLROFJ-UHFFFAOYSA-N 1 2 254.424 3.596 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(SC)s1 ZINC001142027909 1132300966 /nfs/dbraw/zinc/30/09/66/1132300966.db2.gz UKQUXNSIQLROFJ-UHFFFAOYSA-N 1 2 254.424 3.596 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142115158 1132328894 /nfs/dbraw/zinc/32/88/94/1132328894.db2.gz ZJJSTXPVGKBRRV-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)CC1 ZINC001142115158 1132328902 /nfs/dbraw/zinc/32/89/02/1132328902.db2.gz ZJJSTXPVGKBRRV-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO C#Cc1cccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001231664748 1132341415 /nfs/dbraw/zinc/34/14/15/1132341415.db2.gz WHQOGIBNMASNRB-UHFFFAOYSA-N 1 2 283.321 3.504 20 30 CHEDLO C#Cc1cccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001231664748 1132341422 /nfs/dbraw/zinc/34/14/22/1132341422.db2.gz WHQOGIBNMASNRB-UHFFFAOYSA-N 1 2 283.321 3.504 20 30 CHEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2c2ccccc2F)c1 ZINC001232480738 1132477813 /nfs/dbraw/zinc/47/78/13/1132477813.db2.gz IMCLDIFPCFYRDI-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)c1 ZINC001232480738 1132477818 /nfs/dbraw/zinc/47/78/18/1132477818.db2.gz IMCLDIFPCFYRDI-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO CCCOC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232607329 1132492131 /nfs/dbraw/zinc/49/21/31/1132492131.db2.gz KUZWIAQBPNRUGH-UHFFFAOYSA-N 1 2 292.810 3.603 20 30 CHEDLO CC[C@H](c1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677684 1132505060 /nfs/dbraw/zinc/50/50/60/1132505060.db2.gz GTPATEPUAWPXIY-QGZVFWFLSA-N 1 2 280.371 3.847 20 30 CHEDLO CC[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677684 1132505070 /nfs/dbraw/zinc/50/50/70/1132505070.db2.gz GTPATEPUAWPXIY-QGZVFWFLSA-N 1 2 280.371 3.847 20 30 CHEDLO C[C@@H](C#N)[N@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173691159 1132511076 /nfs/dbraw/zinc/51/10/76/1132511076.db2.gz HCRUSJZABYVPCI-NXVRBGIVSA-N 1 2 268.404 3.657 20 30 CHEDLO C[C@@H](C#N)[N@@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173691159 1132511082 /nfs/dbraw/zinc/51/10/82/1132511082.db2.gz HCRUSJZABYVPCI-NXVRBGIVSA-N 1 2 268.404 3.657 20 30 CHEDLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c(C#N)c1 ZINC001232969555 1132552191 /nfs/dbraw/zinc/55/21/91/1132552191.db2.gz SVPYDAKNLQZMFC-HNNXBMFYSA-N 1 2 296.414 3.590 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(C#N)c1 ZINC001232969555 1132552196 /nfs/dbraw/zinc/55/21/96/1132552196.db2.gz SVPYDAKNLQZMFC-HNNXBMFYSA-N 1 2 296.414 3.590 20 30 CHEDLO COc1cc(C)c[nH+]c1NC(C)(C)c1ccc(C#N)cc1 ZINC001156430864 1132695835 /nfs/dbraw/zinc/69/58/35/1132695835.db2.gz QZPAUTYSZMHMEP-UHFFFAOYSA-N 1 2 281.359 3.618 20 30 CHEDLO CC1(C)CN(c2[nH+]ccc3ccc(C#N)cc32)CC(C)(C)O1 ZINC001156453410 1132698004 /nfs/dbraw/zinc/69/80/04/1132698004.db2.gz BKFARHCLBIUOMQ-UHFFFAOYSA-N 1 2 295.386 3.500 20 30 CHEDLO CCSc1cc[nH+]c(NCc2ccccc2C#N)c1 ZINC001156790464 1132710135 /nfs/dbraw/zinc/71/01/35/1132710135.db2.gz DJFUXNPNDLNNJM-UHFFFAOYSA-N 1 2 269.373 3.677 20 30 CHEDLO Cc1ccc(Nc2c(F)ccc(F)c2C#N)c(C)[nH+]1 ZINC001203380696 1132787179 /nfs/dbraw/zinc/78/71/79/1132787179.db2.gz MCPIRDAYZKOWPD-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1ccc(Nc2ccc(Cl)c(C#N)c2)c(C)[nH+]1 ZINC001174400731 1132816181 /nfs/dbraw/zinc/81/61/81/1132816181.db2.gz OCONUSWXPGVRCY-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO C#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174524671 1132912498 /nfs/dbraw/zinc/91/24/98/1132912498.db2.gz NSGSJOWKYTYUCB-UHFFFAOYSA-N 1 2 295.361 3.936 20 30 CHEDLO CC(C)(Nc1[nH+]ccc2ccc(C#N)cc21)c1ccncc1 ZINC001160311054 1132960310 /nfs/dbraw/zinc/96/03/10/1132960310.db2.gz IRYPJUYWHZTVPJ-UHFFFAOYSA-N 1 2 288.354 3.849 20 30 CHEDLO C[C@@H](CCc1ccccc1)Nc1[nH+]cccc1CC#N ZINC001161611196 1133007810 /nfs/dbraw/zinc/00/78/10/1133007810.db2.gz GVTBGLJBKYQCCN-AWEZNQCLSA-N 1 2 265.360 3.581 20 30 CHEDLO N#C[C@H](Nc1ccc(F)c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001161724862 1133021722 /nfs/dbraw/zinc/02/17/22/1133021722.db2.gz FYSAXEALVDQMDF-INIZCTEOSA-N 1 2 292.317 3.688 20 30 CHEDLO C[C@H]1CCCC[C@@H]1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162527963 1133089137 /nfs/dbraw/zinc/08/91/37/1133089137.db2.gz ZSAMSRBLMCUJPX-UONOGXRCSA-N 1 2 269.392 3.875 20 30 CHEDLO C=C[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CCC2)n1 ZINC001163191170 1133134725 /nfs/dbraw/zinc/13/47/25/1133134725.db2.gz IYSOJAZZCFDLHN-CQSZACIVSA-N 1 2 257.381 3.597 20 30 CHEDLO C=C(C)CNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001163375954 1133146393 /nfs/dbraw/zinc/14/63/93/1133146393.db2.gz PCBJIKPREFKOLW-UHFFFAOYSA-N 1 2 254.333 3.649 20 30 CHEDLO C#CCCC1(CCNc2cc(SCC)cc[nH+]2)N=N1 ZINC001163386260 1133147101 /nfs/dbraw/zinc/14/71/01/1133147101.db2.gz UBSMJXINZJXQCW-UHFFFAOYSA-N 1 2 274.393 3.571 20 30 CHEDLO C[C@@H]1c2ccccc2CCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163955747 1133187569 /nfs/dbraw/zinc/18/75/69/1133187569.db2.gz CMMYNTODWDGYES-GFCCVEGCSA-N 1 2 288.354 3.558 20 30 CHEDLO N#CCc1cc[nH+]c(N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001166563669 1133271772 /nfs/dbraw/zinc/27/17/72/1133271772.db2.gz HYNJLNKWVNRIRJ-SFHVURJKSA-N 1 2 291.398 3.607 20 30 CHEDLO COc1cc2cc[nH+]c(N3CCC[C@H](CC#N)C3)c2cc1F ZINC001166743096 1133284630 /nfs/dbraw/zinc/28/46/30/1133284630.db2.gz VMRDVTGNGRUDNR-GFCCVEGCSA-N 1 2 299.349 3.513 20 30 CHEDLO N#CCc1ccc[nH+]c1NCc1ccccc1C1CC1 ZINC001166980157 1133296375 /nfs/dbraw/zinc/29/63/75/1133296375.db2.gz AZVMIUMVNNHVCO-UHFFFAOYSA-N 1 2 263.344 3.637 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204314342 1133435178 /nfs/dbraw/zinc/43/51/78/1133435178.db2.gz FUEBUFBJEZKHRC-INIZCTEOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204314342 1133435180 /nfs/dbraw/zinc/43/51/80/1133435180.db2.gz FUEBUFBJEZKHRC-INIZCTEOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(Cl)s1 ZINC001204445810 1133448623 /nfs/dbraw/zinc/44/86/23/1133448623.db2.gz UYFJGRFQLDCCPV-UHFFFAOYSA-N 1 2 256.802 3.917 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Cl)s1 ZINC001204445810 1133448625 /nfs/dbraw/zinc/44/86/25/1133448625.db2.gz UYFJGRFQLDCCPV-UHFFFAOYSA-N 1 2 256.802 3.917 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](C/C=C/c1ccc(F)c(F)c1)C2 ZINC001206456626 1133704424 /nfs/dbraw/zinc/70/44/24/1133704424.db2.gz OFDADSNTEKSXOZ-OWOJBTEDSA-N 1 2 296.320 3.865 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C2 ZINC001206456626 1133704427 /nfs/dbraw/zinc/70/44/27/1133704427.db2.gz OFDADSNTEKSXOZ-OWOJBTEDSA-N 1 2 296.320 3.865 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)CC1(c2ccccc2)CC1 ZINC001207832053 1133851932 /nfs/dbraw/zinc/85/19/32/1133851932.db2.gz WWEJLWDHYXSJOO-UHFFFAOYSA-N 1 2 291.398 3.529 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)CC1(c2ccccc2)CC1 ZINC001207832053 1133851942 /nfs/dbraw/zinc/85/19/42/1133851942.db2.gz WWEJLWDHYXSJOO-UHFFFAOYSA-N 1 2 291.398 3.529 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[N@H+](C)[C@H](C)C#N)cc1 ZINC001207936215 1133865320 /nfs/dbraw/zinc/86/53/20/1133865320.db2.gz CWVIUIKLSTXXNR-LSDHHAIUSA-N 1 2 258.409 3.832 20 30 CHEDLO CC/C=C\CCC[N@H+](CCC#N)Cc1cccnc1 ZINC001208134758 1133882842 /nfs/dbraw/zinc/88/28/42/1133882842.db2.gz NZTIBBJXOIIGTG-ARJAWSKDSA-N 1 2 257.381 3.544 20 30 CHEDLO CC/C=C\CCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001208134758 1133882846 /nfs/dbraw/zinc/88/28/46/1133882846.db2.gz NZTIBBJXOIIGTG-ARJAWSKDSA-N 1 2 257.381 3.544 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001208178609 1133898291 /nfs/dbraw/zinc/89/82/91/1133898291.db2.gz SXDADEKWJAIAMR-MJGOQNOKSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001208178609 1133898299 /nfs/dbraw/zinc/89/82/99/1133898299.db2.gz SXDADEKWJAIAMR-MJGOQNOKSA-N 1 2 298.430 3.758 20 30 CHEDLO COc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001209701055 1134051556 /nfs/dbraw/zinc/05/15/56/1134051556.db2.gz QLDAIEWQKTYCCX-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001209701055 1134051565 /nfs/dbraw/zinc/05/15/65/1134051565.db2.gz QLDAIEWQKTYCCX-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO C#Cc1ccc(Nc2ccc([NH+](C)C)c(C)c2)cc1 ZINC001210044042 1134133043 /nfs/dbraw/zinc/13/30/43/1134133043.db2.gz KFGDOTMYBOVWQF-UHFFFAOYSA-N 1 2 250.345 3.786 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cccc(OC)c1C#N ZINC001210124259 1134152777 /nfs/dbraw/zinc/15/27/77/1134152777.db2.gz XBQQKNVHBNMJPR-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1cnc(C#N)c(C)c1 ZINC001210202827 1134165028 /nfs/dbraw/zinc/16/50/28/1134165028.db2.gz SZRYADHTBAXOAH-UHFFFAOYSA-N 1 2 266.348 3.832 20 30 CHEDLO Cc1cc(Nc2c[nH+]c(CC(C)C)cc2C)cnc1C#N ZINC001210202132 1134165266 /nfs/dbraw/zinc/16/52/66/1134165266.db2.gz BPBNUKSPCUCGBF-UHFFFAOYSA-N 1 2 280.375 3.907 20 30 CHEDLO Cc1cc(C#N)cc(Cl)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210287935 1134185713 /nfs/dbraw/zinc/18/57/13/1134185713.db2.gz HQNILAVQQGOQIP-UHFFFAOYSA-N 1 2 272.739 3.549 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001210389631 1134206976 /nfs/dbraw/zinc/20/69/76/1134206976.db2.gz KYFUDXRKLAODMG-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001210501606 1134231086 /nfs/dbraw/zinc/23/10/86/1134231086.db2.gz NYEHQIPKFYSXEG-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001210554912 1134247473 /nfs/dbraw/zinc/24/74/73/1134247473.db2.gz ZEIWZJPYZHYVQR-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1F ZINC001213090099 1134425915 /nfs/dbraw/zinc/42/59/15/1134425915.db2.gz ULBIOAFETIJEFU-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(C#N)cc1N ZINC001213355637 1134443517 /nfs/dbraw/zinc/44/35/17/1134443517.db2.gz MGCGTIZDNVFHSD-UHFFFAOYSA-N 1 2 266.348 3.711 20 30 CHEDLO N#Cc1cc(Nc2cc[nH+]c3ccc(Cl)cc23)ccc1N ZINC001213427066 1134447778 /nfs/dbraw/zinc/44/77/78/1134447778.db2.gz LRIMAJZOISRDQJ-UHFFFAOYSA-N 1 2 294.745 3.508 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccsc1C#N ZINC001213494938 1134454096 /nfs/dbraw/zinc/45/40/96/1134454096.db2.gz NLHVDWUGNHLSQY-UHFFFAOYSA-N 1 2 255.346 3.944 20 30 CHEDLO Cc1cc(C)c(Nc2c(C)cc(C#N)cc2C)c[nH+]1 ZINC001213515801 1134459353 /nfs/dbraw/zinc/45/93/53/1134459353.db2.gz MAQCCWKZVBLXEF-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO Cc1c[nH+]cc(Nc2c(C)cc(C#N)cc2C)c1C ZINC001213530832 1134461150 /nfs/dbraw/zinc/46/11/50/1134461150.db2.gz NNHIRPHKJNKTNV-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO COc1ccc(Nc2[nH+]cccc2C2CC2)cc1C#N ZINC001214998934 1134592090 /nfs/dbraw/zinc/59/20/90/1134592090.db2.gz PMDSRUWOFMQHAU-UHFFFAOYSA-N 1 2 265.316 3.583 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1[nH+]cccc1N1CCCC1 ZINC001215645965 1134655484 /nfs/dbraw/zinc/65/54/84/1134655484.db2.gz FVNGDECEUUDUHK-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1C#N ZINC001216074445 1134766930 /nfs/dbraw/zinc/76/69/30/1134766930.db2.gz HXBDBACHEQSZOD-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1c(Cl)cccc1Nc1cccn2cc[nH+]c12 ZINC001216124840 1134786195 /nfs/dbraw/zinc/78/61/95/1134786195.db2.gz CLQLCWOEVOMQJS-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001216172984 1134794754 /nfs/dbraw/zinc/79/47/54/1134794754.db2.gz DYWRQPJSNXPFFE-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO CCc1cc(Nc2cccc3[nH+]ccn32)ccc1C#N ZINC001216313877 1134847743 /nfs/dbraw/zinc/84/77/43/1134847743.db2.gz YZTQBNPYFAPSNO-UHFFFAOYSA-N 1 2 262.316 3.512 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000405169126 1134960006 /nfs/dbraw/zinc/96/00/06/1134960006.db2.gz QUPIKFZDGZYWPT-AWEZNQCLSA-N 1 2 276.330 3.699 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000405169126 1134960010 /nfs/dbraw/zinc/96/00/10/1134960010.db2.gz QUPIKFZDGZYWPT-AWEZNQCLSA-N 1 2 276.330 3.699 20 30 CHEDLO Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)c[nH+]1 ZINC000352847542 227323448 /nfs/dbraw/zinc/32/34/48/227323448.db2.gz UXMDZLFGAAOACY-UHFFFAOYSA-N 1 2 291.276 3.893 20 30 CHEDLO N#CC1(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC1 ZINC000329184575 227342654 /nfs/dbraw/zinc/34/26/54/227342654.db2.gz FYNWUXUWACTSAQ-AWEZNQCLSA-N 1 2 281.359 3.659 20 30 CHEDLO N#CC1(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)CC1 ZINC000329184575 227342659 /nfs/dbraw/zinc/34/26/59/227342659.db2.gz FYNWUXUWACTSAQ-AWEZNQCLSA-N 1 2 281.359 3.659 20 30 CHEDLO Cc1sccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000335938463 228167340 /nfs/dbraw/zinc/16/73/40/228167340.db2.gz KERHTWZHUVMBSV-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1sccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000335938463 228167341 /nfs/dbraw/zinc/16/73/41/228167341.db2.gz KERHTWZHUVMBSV-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO CC1(C)CCC[N@H+](CCCc2ccccc2)[C@@H]1C#N ZINC000444719878 261127224 /nfs/dbraw/zinc/12/72/24/261127224.db2.gz NVJDPVVOTMOMLH-MRXNPFEDSA-N 1 2 256.393 3.633 20 30 CHEDLO CC1(C)CCC[N@@H+](CCCc2ccccc2)[C@@H]1C#N ZINC000444719878 261127225 /nfs/dbraw/zinc/12/72/25/261127225.db2.gz NVJDPVVOTMOMLH-MRXNPFEDSA-N 1 2 256.393 3.633 20 30 CHEDLO CC(C)(CCC#N)C[NH2+]c1ccc2c(c1)CCCO2 ZINC000178218844 261380686 /nfs/dbraw/zinc/38/06/86/261380686.db2.gz XFNRDWASJWSGHG-UHFFFAOYSA-N 1 2 258.365 3.753 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000184092141 262007892 /nfs/dbraw/zinc/00/78/92/262007892.db2.gz NTISHMNVOJNMHY-SNVBAGLBSA-N 1 2 287.190 3.784 20 30 CHEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(OCC3CC3)cc2)C1 ZINC000185729253 262068698 /nfs/dbraw/zinc/06/86/98/262068698.db2.gz UXRWFPXOLPLAKS-GDBMZVCRSA-N 1 2 270.376 3.970 20 30 CHEDLO CCCCCCCC[S@@](=O)Cc1cn2ccccc2[nH+]1 ZINC000190818031 262186032 /nfs/dbraw/zinc/18/60/32/262186032.db2.gz GJQVSLOHLVXIEM-HXUWFJFHSA-N 1 2 292.448 3.944 20 30 CHEDLO COc1cc(OC)c([NH2+][C@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000193072492 262215616 /nfs/dbraw/zinc/21/56/16/262215616.db2.gz PRPVCEGGSXQBRA-QWRGUYRKSA-N 1 2 294.782 3.851 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000272005780 263001287 /nfs/dbraw/zinc/00/12/87/263001287.db2.gz JBECHANPOYCHEG-UHFFFAOYSA-N 1 2 285.366 3.605 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000272005780 263001288 /nfs/dbraw/zinc/00/12/88/263001288.db2.gz JBECHANPOYCHEG-UHFFFAOYSA-N 1 2 285.366 3.605 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000272572736 263007181 /nfs/dbraw/zinc/00/71/81/263007181.db2.gz PIJVMBAZRQWFLK-CYBMUJFWSA-N 1 2 270.332 3.663 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000272572736 263007182 /nfs/dbraw/zinc/00/71/82/263007182.db2.gz PIJVMBAZRQWFLK-CYBMUJFWSA-N 1 2 270.332 3.663 20 30 CHEDLO C[C@@H](C[N@H+](CCC#N)Cc1cccnc1)c1ccc(F)cc1 ZINC000275757332 263034198 /nfs/dbraw/zinc/03/41/98/263034198.db2.gz UHAQWYMEBUTXKU-HNNXBMFYSA-N 1 2 297.377 3.740 20 30 CHEDLO C[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)c1ccc(F)cc1 ZINC000275757332 263034199 /nfs/dbraw/zinc/03/41/99/263034199.db2.gz UHAQWYMEBUTXKU-HNNXBMFYSA-N 1 2 297.377 3.740 20 30 CHEDLO CCCCCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276594766 263037506 /nfs/dbraw/zinc/03/75/06/263037506.db2.gz KUDCQWHGYKEKSD-CQSZACIVSA-N 1 2 265.401 3.584 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](CC)CCC#N ZINC000292673336 263133491 /nfs/dbraw/zinc/13/34/91/263133491.db2.gz BGYNXAJLVAXIRL-UHFFFAOYSA-N 1 2 259.397 3.503 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](CC)CCC#N ZINC000292673336 263133492 /nfs/dbraw/zinc/13/34/92/263133492.db2.gz BGYNXAJLVAXIRL-UHFFFAOYSA-N 1 2 259.397 3.503 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCCCC1(F)F ZINC000294886460 263168986 /nfs/dbraw/zinc/16/89/86/263168986.db2.gz FYWQQXDPKZQWPP-ZDUSSCGKSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCCCC1(F)F ZINC000294886460 263168987 /nfs/dbraw/zinc/16/89/87/263168987.db2.gz FYWQQXDPKZQWPP-ZDUSSCGKSA-N 1 2 282.334 3.821 20 30 CHEDLO CC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000453253964 263211049 /nfs/dbraw/zinc/21/10/49/263211049.db2.gz XNMRWYQPWXPTNW-HUUCEWRRSA-N 1 2 278.346 3.959 20 30 CHEDLO CC(C)[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1F ZINC000298887908 263227352 /nfs/dbraw/zinc/22/73/52/263227352.db2.gz KVWXDVSANRMDJO-ZDUSSCGKSA-N 1 2 254.736 3.679 20 30 CHEDLO N#CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000299002018 263228725 /nfs/dbraw/zinc/22/87/25/263228725.db2.gz QKHJKSUMRFIVDG-INIZCTEOSA-N 1 2 285.778 3.522 20 30 CHEDLO Cc1ccc(N[C@H](C)c2ccc(C#N)cc2F)c[nH+]1 ZINC000334374876 263605955 /nfs/dbraw/zinc/60/59/55/263605955.db2.gz DAORDWJIYLMTPZ-LLVKDONJSA-N 1 2 255.296 3.574 20 30 CHEDLO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C)[nH+]c2C)c1C ZINC000331084744 264118036 /nfs/dbraw/zinc/11/80/36/264118036.db2.gz NZTBUTXQMYFOCG-LLVKDONJSA-N 1 2 286.379 3.811 20 30 CHEDLO CCC(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331350388 264206501 /nfs/dbraw/zinc/20/65/01/264206501.db2.gz YIZXTOKOISQHJU-UHFFFAOYSA-N 1 2 263.385 3.769 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 ZINC000180035532 264390209 /nfs/dbraw/zinc/39/02/09/264390209.db2.gz GGXOTUAAJOEBDD-HNNXBMFYSA-N 1 2 283.375 3.744 20 30 CHEDLO C=CCCC(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284127520 264524982 /nfs/dbraw/zinc/52/49/82/264524982.db2.gz CTPOPQFVNVARCO-UHFFFAOYSA-N 1 2 296.370 3.758 20 30 CHEDLO C[N@H+](Cc1nc(C(C)(C)C)cs1)Cc1cccc(C#N)c1 ZINC000094936261 265274868 /nfs/dbraw/zinc/27/48/68/265274868.db2.gz PQHZCSFCDKORIB-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[N@@H+](Cc1nc(C(C)(C)C)cs1)Cc1cccc(C#N)c1 ZINC000094936261 265274871 /nfs/dbraw/zinc/27/48/71/265274871.db2.gz PQHZCSFCDKORIB-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000362522445 267000005 /nfs/dbraw/zinc/00/00/05/267000005.db2.gz XJIPVHGHTQJSGC-SNVBAGLBSA-N 1 2 266.747 3.603 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000362522445 267000009 /nfs/dbraw/zinc/00/00/09/267000009.db2.gz XJIPVHGHTQJSGC-SNVBAGLBSA-N 1 2 266.747 3.603 20 30 CHEDLO C=CCCc1ccccc1NCc1c[nH+]cn1CC ZINC000418134445 267359150 /nfs/dbraw/zinc/35/91/50/267359150.db2.gz HGGVVJRYAXMONV-UHFFFAOYSA-N 1 2 255.365 3.634 20 30 CHEDLO COc1cc(Cl)c(C[NH2+]CC2(C#N)CCC2)cc1Cl ZINC000418140496 267361790 /nfs/dbraw/zinc/36/17/90/267361790.db2.gz JNMWAIWAWWDLJN-UHFFFAOYSA-N 1 2 299.201 3.785 20 30 CHEDLO CN(c1ccccc1)c1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000413414015 328145986 /nfs/dbraw/zinc/14/59/86/328145986.db2.gz UUMAASQZPDXHEY-UHFFFAOYSA-N 1 2 295.390 3.596 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl ZINC000049091566 328336616 /nfs/dbraw/zinc/33/66/16/328336616.db2.gz HDOUZTRXLJQRJL-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1Cl ZINC000049091566 328336618 /nfs/dbraw/zinc/33/66/18/328336618.db2.gz HDOUZTRXLJQRJL-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO CCc1cccc(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC000530543046 326863822 /nfs/dbraw/zinc/86/38/22/326863822.db2.gz UIGMTYWRZCYDRW-UHFFFAOYSA-N 1 2 285.778 3.976 20 30 CHEDLO CC1(C#N)C[NH+](CCCc2cccc3ccccc32)C1 ZINC000569541014 327195637 /nfs/dbraw/zinc/19/56/37/327195637.db2.gz OICRUWBJIPDHEV-UHFFFAOYSA-N 1 2 264.372 3.618 20 30 CHEDLO COc1cc(C#N)ccc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000159591822 327545301 /nfs/dbraw/zinc/54/53/01/327545301.db2.gz OBUKUXTYMKXMLN-UHFFFAOYSA-N 1 2 291.354 3.582 20 30 CHEDLO Clc1cccc(C#CC[NH+]2Cc3ccccc3C2)c1 ZINC000160024355 327587410 /nfs/dbraw/zinc/58/74/10/327587410.db2.gz KPUZVUWHEJXHSV-UHFFFAOYSA-N 1 2 267.759 3.707 20 30 CHEDLO N#Cc1ccc(Cl)cc1NCCCNc1cccc[nH+]1 ZINC000180410849 329216054 /nfs/dbraw/zinc/21/60/54/329216054.db2.gz WCZZZRZGYOTSNF-UHFFFAOYSA-N 1 2 286.766 3.521 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000184091494 329256245 /nfs/dbraw/zinc/25/62/45/329256245.db2.gz MNBTXBGRPIUOED-GFCCVEGCSA-N 1 2 299.330 3.637 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000583026003 329302058 /nfs/dbraw/zinc/30/20/58/329302058.db2.gz LTZONTJVFZHJTG-UHFFFAOYSA-N 1 2 294.832 3.893 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000583026003 329302060 /nfs/dbraw/zinc/30/20/60/329302060.db2.gz LTZONTJVFZHJTG-UHFFFAOYSA-N 1 2 294.832 3.893 20 30 CHEDLO CC[C@@H]([NH2+][C@@H](CC)CC#N)c1ccc(F)cc1F ZINC000583033033 329305579 /nfs/dbraw/zinc/30/55/79/329305579.db2.gz AWZKRHIWHKCAEC-SMDDNHRTSA-N 1 2 252.308 3.698 20 30 CHEDLO C[C@H]1SCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H]1C ZINC000187056888 329352018 /nfs/dbraw/zinc/35/20/18/329352018.db2.gz YWTGJPYXAZDPPE-WDEREUQCSA-N 1 2 280.824 3.537 20 30 CHEDLO C[C@H]1SCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H]1C ZINC000187056888 329352019 /nfs/dbraw/zinc/35/20/19/329352019.db2.gz YWTGJPYXAZDPPE-WDEREUQCSA-N 1 2 280.824 3.537 20 30 CHEDLO COc1cc(Cl)c(C[NH+]2CCC(C#N)CC2)cc1Cl ZINC000123782935 329562781 /nfs/dbraw/zinc/56/27/81/329562781.db2.gz RTBIVPAAYHOGGZ-UHFFFAOYSA-N 1 2 299.201 3.738 20 30 CHEDLO C=CC[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421579981 329843525 /nfs/dbraw/zinc/84/35/25/329843525.db2.gz VHAUOWYDHDYQGN-GOSISDBHSA-N 1 2 294.398 3.675 20 30 CHEDLO C=C(C)C[N@H+](Cc1cc(C)on1)Cc1ccccc1 ZINC000279240323 330122322 /nfs/dbraw/zinc/12/23/22/330122322.db2.gz FWCGCDHFILQNHS-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cc(C)on1)Cc1ccccc1 ZINC000279240323 330122323 /nfs/dbraw/zinc/12/23/23/330122323.db2.gz FWCGCDHFILQNHS-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO CC[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](C)C#N ZINC000120518940 330389327 /nfs/dbraw/zinc/38/93/27/330389327.db2.gz IVJUUAOGFSKPFS-NSHDSACASA-N 1 2 286.297 3.567 20 30 CHEDLO CC[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](C)C#N ZINC000120518940 330389328 /nfs/dbraw/zinc/38/93/28/330389328.db2.gz IVJUUAOGFSKPFS-NSHDSACASA-N 1 2 286.297 3.567 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000121400532 330399902 /nfs/dbraw/zinc/39/99/02/330399902.db2.gz ANLJNQRWTZPSAM-UHFFFAOYSA-N 1 2 259.378 3.505 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000121400532 330399903 /nfs/dbraw/zinc/39/99/03/330399903.db2.gz ANLJNQRWTZPSAM-UHFFFAOYSA-N 1 2 259.378 3.505 20 30 CHEDLO Cc1nc2[nH]ccc2c(N[C@@H](CCC#N)c2ccccc2)[nH+]1 ZINC000439097620 330733860 /nfs/dbraw/zinc/73/38/60/330733860.db2.gz JHKWHJLRZNQBMA-HNNXBMFYSA-N 1 2 291.358 3.723 20 30 CHEDLO Cc1ccc[nH+]c1CCCNc1cccc(Cl)c1C#N ZINC000450724198 330995993 /nfs/dbraw/zinc/99/59/93/330995993.db2.gz MHRSJKWUUVYERJ-UHFFFAOYSA-N 1 2 285.778 3.960 20 30 CHEDLO N#C[C@@H]1[N@H+](CCC2=CCCCC2)CCC[C@]12CCCCO2 ZINC000450881429 331004572 /nfs/dbraw/zinc/00/45/72/331004572.db2.gz MDCMZPKDUXXGTE-ZWKOTPCHSA-N 1 2 288.435 3.804 20 30 CHEDLO N#C[C@@H]1[N@@H+](CCC2=CCCCC2)CCC[C@]12CCCCO2 ZINC000450881429 331004573 /nfs/dbraw/zinc/00/45/73/331004573.db2.gz MDCMZPKDUXXGTE-ZWKOTPCHSA-N 1 2 288.435 3.804 20 30 CHEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451111563 331015878 /nfs/dbraw/zinc/01/58/78/331015878.db2.gz FXSSXIPRBDBHBP-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451111563 331015879 /nfs/dbraw/zinc/01/58/79/331015879.db2.gz FXSSXIPRBDBHBP-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C=CCC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccco1 ZINC000453336720 331118650 /nfs/dbraw/zinc/11/86/50/331118650.db2.gz FLDCRWOVXJTYDD-KBPBESRZSA-N 1 2 273.380 3.854 20 30 CHEDLO C=CCCC[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455477467 331170594 /nfs/dbraw/zinc/17/05/94/331170594.db2.gz FIYNRSYYILBMDJ-GFCCVEGCSA-N 1 2 275.396 3.873 20 30 CHEDLO C=CCC(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455509662 331171203 /nfs/dbraw/zinc/17/12/03/331171203.db2.gz GUOUHMDIWICFNS-UHFFFAOYSA-N 1 2 275.396 3.731 20 30 CHEDLO CC1(C)CCC[N@H+](CC2CCC(F)(F)CC2)[C@@H]1C#N ZINC000459424166 331280776 /nfs/dbraw/zinc/28/07/76/331280776.db2.gz LCBZAIUNPFLESH-CYBMUJFWSA-N 1 2 270.367 3.826 20 30 CHEDLO CC1(C)CCC[N@@H+](CC2CCC(F)(F)CC2)[C@@H]1C#N ZINC000459424166 331280777 /nfs/dbraw/zinc/28/07/77/331280777.db2.gz LCBZAIUNPFLESH-CYBMUJFWSA-N 1 2 270.367 3.826 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459493133 331284949 /nfs/dbraw/zinc/28/49/49/331284949.db2.gz OSVVYSRGBGZGLG-CQSZACIVSA-N 1 2 254.377 3.638 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459493133 331284950 /nfs/dbraw/zinc/28/49/50/331284950.db2.gz OSVVYSRGBGZGLG-CQSZACIVSA-N 1 2 254.377 3.638 20 30 CHEDLO Cc1cc(F)c(C[NH+]2CCC(F)(C#N)CC2)c(Cl)c1 ZINC000459546430 331287103 /nfs/dbraw/zinc/28/71/03/331287103.db2.gz SMMIHHWXPOZARK-UHFFFAOYSA-N 1 2 284.737 3.615 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1cccc(Cl)c1Cl ZINC000164695264 331287290 /nfs/dbraw/zinc/28/72/90/331287290.db2.gz PJDXFKGGSQJBFE-UHFFFAOYSA-N 1 2 257.164 3.633 20 30 CHEDLO C=C[C@@H]1CCCCN1c1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000486509528 331939012 /nfs/dbraw/zinc/93/90/12/331939012.db2.gz OYCZSLUCIRXROI-MRXNPFEDSA-N 1 2 294.402 3.646 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000489397687 332049914 /nfs/dbraw/zinc/04/99/14/332049914.db2.gz FPWOQISAEOUYEU-ZDUSSCGKSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000489397687 332049916 /nfs/dbraw/zinc/04/99/16/332049916.db2.gz FPWOQISAEOUYEU-ZDUSSCGKSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000489422860 332051232 /nfs/dbraw/zinc/05/12/32/332051232.db2.gz FQEKXVXPBDHFOQ-CYBMUJFWSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000489422860 332051233 /nfs/dbraw/zinc/05/12/33/332051233.db2.gz FQEKXVXPBDHFOQ-CYBMUJFWSA-N 1 2 274.389 3.944 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000491731669 332313312 /nfs/dbraw/zinc/31/33/12/332313312.db2.gz JABIGJPDGRFCTN-LLVKDONJSA-N 1 2 288.778 3.757 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000491731669 332313313 /nfs/dbraw/zinc/31/33/13/332313313.db2.gz JABIGJPDGRFCTN-LLVKDONJSA-N 1 2 288.778 3.757 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000491752094 332328189 /nfs/dbraw/zinc/32/81/89/332328189.db2.gz VPJHHRHWARVUEB-AWEZNQCLSA-N 1 2 291.181 3.853 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000491773276 332339627 /nfs/dbraw/zinc/33/96/27/332339627.db2.gz VKRZNJRHKBYGHJ-INIZCTEOSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)cc1F ZINC000491803248 332357063 /nfs/dbraw/zinc/35/70/63/332357063.db2.gz IUWRHODNJRBGNY-MRXNPFEDSA-N 1 2 289.737 3.649 20 30 CHEDLO N#Cc1csc(C[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000512858803 332989871 /nfs/dbraw/zinc/98/98/71/332989871.db2.gz ZDIBCXQVABVCTQ-UHFFFAOYSA-N 1 2 270.348 3.677 20 30 CHEDLO C=CCCOCCNc1[nH+]c2ccccc2cc1C ZINC000229870974 333310494 /nfs/dbraw/zinc/31/04/94/333310494.db2.gz LDTGLZICMMJQPJ-UHFFFAOYSA-N 1 2 256.349 3.548 20 30 CHEDLO Cc1ccc(Cl)c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000124044596 333555440 /nfs/dbraw/zinc/55/54/40/333555440.db2.gz KUUNTFCXVOOJPV-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000543738938 333893289 /nfs/dbraw/zinc/89/32/89/333893289.db2.gz IMNOBDCGDVBFQG-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000072590344 333944777 /nfs/dbraw/zinc/94/47/77/333944777.db2.gz NOUUKGSGXAQRPX-UHFFFAOYSA-N 1 2 299.201 3.606 20 30 CHEDLO CC(C)(C)c1nc(CNc2cc(CC#N)cc[nH+]2)cs1 ZINC000545219122 333970326 /nfs/dbraw/zinc/97/03/26/333970326.db2.gz TUJMBDBJGKSFJA-UHFFFAOYSA-N 1 2 286.404 3.514 20 30 CHEDLO CCCCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000547342424 334081748 /nfs/dbraw/zinc/08/17/48/334081748.db2.gz GNTZSRPKNXNOQF-UHFFFAOYSA-N 1 2 295.386 3.939 20 30 CHEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccncc1C#N ZINC000548479671 334159390 /nfs/dbraw/zinc/15/93/90/334159390.db2.gz OGFYXRRCKIXHMJ-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695071 334201876 /nfs/dbraw/zinc/20/18/76/334201876.db2.gz XKMLQKVSJWYZIO-DAXOMENPSA-N 1 2 292.785 3.903 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695071 334201877 /nfs/dbraw/zinc/20/18/77/334201877.db2.gz XKMLQKVSJWYZIO-DAXOMENPSA-N 1 2 292.785 3.903 20 30 CHEDLO Cc1cc(C[N@@H+](C)Cc2c(F)cccc2F)ccc1C#N ZINC000549951851 334210172 /nfs/dbraw/zinc/21/01/72/334210172.db2.gz MZGIVPVEJAIOCR-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(C[N@H+](C)Cc2c(F)cccc2F)ccc1C#N ZINC000549951851 334210173 /nfs/dbraw/zinc/21/01/73/334210173.db2.gz MZGIVPVEJAIOCR-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H](C)C#N ZINC000248641652 334310488 /nfs/dbraw/zinc/31/04/88/334310488.db2.gz RJUHARRRKIXVRK-UONOGXRCSA-N 1 2 291.414 3.557 20 30 CHEDLO CC(C)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000552316952 334316155 /nfs/dbraw/zinc/31/61/55/334316155.db2.gz VIMQIHXYYJTYAP-UHFFFAOYSA-N 1 2 289.379 3.700 20 30 CHEDLO CC(C)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000552316952 334316157 /nfs/dbraw/zinc/31/61/57/334316157.db2.gz VIMQIHXYYJTYAP-UHFFFAOYSA-N 1 2 289.379 3.700 20 30 CHEDLO CSCc1cnc(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000568513013 334828174 /nfs/dbraw/zinc/82/81/74/334828174.db2.gz VSAKTEHGXIVCCO-UHFFFAOYSA-N 1 2 295.477 3.522 20 30 CHEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)[C@H]1c1cccnc1 ZINC000292849704 520478457 /nfs/dbraw/zinc/47/84/57/520478457.db2.gz TWNOLQMQLCHBJT-KRWDZBQOSA-N 1 2 277.371 3.536 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)[C@H]1c1cccnc1 ZINC000292849704 520478464 /nfs/dbraw/zinc/47/84/64/520478464.db2.gz TWNOLQMQLCHBJT-KRWDZBQOSA-N 1 2 277.371 3.536 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CC[C@H](C)O2)[nH+]1 ZINC000330208085 534518436 /nfs/dbraw/zinc/51/84/36/534518436.db2.gz ATPDCQFIGXXFRT-FZMZJTMJSA-N 1 2 285.347 3.541 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CC[C@@H](C)O2)[nH+]1 ZINC000330208083 534520669 /nfs/dbraw/zinc/52/06/69/534520669.db2.gz ATPDCQFIGXXFRT-BXUZGUMPSA-N 1 2 285.347 3.541 20 30 CHEDLO C[C@@H](c1ccco1)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000086234287 526137999 /nfs/dbraw/zinc/13/79/99/526137999.db2.gz ZFDSTMLKTVNXFR-ZDUSSCGKSA-N 1 2 266.344 3.877 20 30 CHEDLO C[C@@H](c1ccco1)[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000086234287 526138005 /nfs/dbraw/zinc/13/80/05/526138005.db2.gz ZFDSTMLKTVNXFR-ZDUSSCGKSA-N 1 2 266.344 3.877 20 30 CHEDLO C=CC[N@@H+](Cc1conc1CC)Cc1ccccc1F ZINC000350663335 526381090 /nfs/dbraw/zinc/38/10/90/526381090.db2.gz WAFACWVWSUDMGQ-UHFFFAOYSA-N 1 2 274.339 3.564 20 30 CHEDLO C=CC[N@H+](Cc1conc1CC)Cc1ccccc1F ZINC000350663335 526381098 /nfs/dbraw/zinc/38/10/98/526381098.db2.gz WAFACWVWSUDMGQ-UHFFFAOYSA-N 1 2 274.339 3.564 20 30 CHEDLO C=CCCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000344505024 527230379 /nfs/dbraw/zinc/23/03/79/527230379.db2.gz WTWOYKZIHIZLGF-UHFFFAOYSA-N 1 2 282.343 3.570 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1F ZINC000353416515 528749289 /nfs/dbraw/zinc/74/92/89/528749289.db2.gz NEJISJXIPIDOGJ-UHFFFAOYSA-N 1 2 262.372 3.978 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1F ZINC000353416515 528749292 /nfs/dbraw/zinc/74/92/92/528749292.db2.gz NEJISJXIPIDOGJ-UHFFFAOYSA-N 1 2 262.372 3.978 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000353425561 528749410 /nfs/dbraw/zinc/74/94/10/528749410.db2.gz YNXGUEOCBSAABB-UHFFFAOYSA-N 1 2 288.391 3.567 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000353425561 528749415 /nfs/dbraw/zinc/74/94/15/528749415.db2.gz YNXGUEOCBSAABB-UHFFFAOYSA-N 1 2 288.391 3.567 20 30 CHEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CCC#N)C1 ZINC000114473035 1125497819 /nfs/dbraw/zinc/49/78/19/1125497819.db2.gz PTWJQIKJRVNVGT-HNNXBMFYSA-N 1 2 296.418 3.710 20 30 CHEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000114473035 1125497821 /nfs/dbraw/zinc/49/78/21/1125497821.db2.gz PTWJQIKJRVNVGT-HNNXBMFYSA-N 1 2 296.418 3.710 20 30 CHEDLO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000613540394 1120021987 /nfs/dbraw/zinc/02/19/87/1120021987.db2.gz UHVAZCDZFMBRBL-OAHLLOKOSA-N 1 2 262.784 3.774 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001197620622 1122960641 /nfs/dbraw/zinc/96/06/41/1122960641.db2.gz AVYIFZONDLOHGY-CYBMUJFWSA-N 1 2 262.784 3.508 20 30 CHEDLO N#C[C@H]1CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001197620622 1122960644 /nfs/dbraw/zinc/96/06/44/1122960644.db2.gz AVYIFZONDLOHGY-CYBMUJFWSA-N 1 2 262.784 3.508 20 30 CHEDLO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201485493 1123106389 /nfs/dbraw/zinc/10/63/89/1123106389.db2.gz HXPSUDMJGSMFLS-HIFRSBDPSA-N 1 2 279.449 3.643 20 30 CHEDLO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201485493 1123106390 /nfs/dbraw/zinc/10/63/90/1123106390.db2.gz HXPSUDMJGSMFLS-HIFRSBDPSA-N 1 2 279.449 3.643 20 30 CHEDLO CC#CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444701995 1124054803 /nfs/dbraw/zinc/05/48/03/1124054803.db2.gz XLGFLIPRLVUQCU-CJNGLKHVSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444701995 1124054808 /nfs/dbraw/zinc/05/48/08/1124054808.db2.gz XLGFLIPRLVUQCU-CJNGLKHVSA-N 1 2 277.795 3.515 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1c(O)cccc1F ZINC000886638382 1125700642 /nfs/dbraw/zinc/70/06/42/1125700642.db2.gz SEMMYWJSBWNBIU-LBPRGKRZSA-N 1 2 276.355 3.656 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(Cl)s1)Cc1ccccc1 ZINC000078686260 1125731605 /nfs/dbraw/zinc/73/16/05/1125731605.db2.gz MXWPMFJCBJOVTN-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO C=CC[N@H+](Cc1cnc(Cl)s1)Cc1ccccc1 ZINC000078686260 1125731612 /nfs/dbraw/zinc/73/16/12/1125731612.db2.gz MXWPMFJCBJOVTN-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO C=C(C)CCc1noc(CCc2[nH]c3c(cccc3C)[nH+]2)n1 ZINC000508678097 1125758857 /nfs/dbraw/zinc/75/88/57/1125758857.db2.gz JHIZYGSABPIVKL-UHFFFAOYSA-N 1 2 296.374 3.548 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000093090723 1125764044 /nfs/dbraw/zinc/76/40/44/1125764044.db2.gz QPNXJZLTCXQBFR-SECBINFHSA-N 1 2 274.261 3.578 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000093090723 1125764047 /nfs/dbraw/zinc/76/40/47/1125764047.db2.gz QPNXJZLTCXQBFR-SECBINFHSA-N 1 2 274.261 3.578 20 30 CHEDLO CC1CCC(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000093100750 1125764707 /nfs/dbraw/zinc/76/47/07/1125764707.db2.gz RKTXXCLPDSGHNG-UHFFFAOYSA-N 1 2 271.408 3.624 20 30 CHEDLO CC1CCC(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000093100750 1125764714 /nfs/dbraw/zinc/76/47/14/1125764714.db2.gz RKTXXCLPDSGHNG-UHFFFAOYSA-N 1 2 271.408 3.624 20 30 CHEDLO CCCCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090917 1125764743 /nfs/dbraw/zinc/76/47/43/1125764743.db2.gz FQKKQCWUKTUBQY-CQSZACIVSA-N 1 2 290.407 3.608 20 30 CHEDLO CCCCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090917 1125764748 /nfs/dbraw/zinc/76/47/48/1125764748.db2.gz FQKKQCWUKTUBQY-CQSZACIVSA-N 1 2 290.407 3.608 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093090712 1125765343 /nfs/dbraw/zinc/76/53/43/1125765343.db2.gz VXSILXXCAJAAHJ-LBPRGKRZSA-N 1 2 299.330 3.589 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093090712 1125765349 /nfs/dbraw/zinc/76/53/49/1125765349.db2.gz VXSILXXCAJAAHJ-LBPRGKRZSA-N 1 2 299.330 3.589 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000769962307 1129931694 /nfs/dbraw/zinc/93/16/94/1129931694.db2.gz WTCHPUBQICTFDB-LLVKDONJSA-N 1 2 272.779 3.650 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000769962307 1129931695 /nfs/dbraw/zinc/93/16/95/1129931695.db2.gz WTCHPUBQICTFDB-LLVKDONJSA-N 1 2 272.779 3.650 20 30 CHEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)CC1CCCCC1 ZINC000338320663 1126734226 /nfs/dbraw/zinc/73/42/26/1126734226.db2.gz YWPXCXHBEAFELW-UHFFFAOYSA-N 1 2 290.455 3.601 20 30 CHEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)CC1CCCCC1 ZINC000338320663 1126734229 /nfs/dbraw/zinc/73/42/29/1126734229.db2.gz YWPXCXHBEAFELW-UHFFFAOYSA-N 1 2 290.455 3.601 20 30 CHEDLO C=CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000338306518 1126732978 /nfs/dbraw/zinc/73/29/78/1126732978.db2.gz MMELBRVADJMWBN-JTQLQIEISA-N 1 2 277.368 3.523 20 30 CHEDLO C=CC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000338306518 1126732983 /nfs/dbraw/zinc/73/29/83/1126732983.db2.gz MMELBRVADJMWBN-JTQLQIEISA-N 1 2 277.368 3.523 20 30 CHEDLO C#CC[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000826586112 1126740210 /nfs/dbraw/zinc/74/02/10/1126740210.db2.gz XVMNPBPUVYEHOQ-CYBMUJFWSA-N 1 2 268.335 3.614 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000483321802 1126781757 /nfs/dbraw/zinc/78/17/57/1126781757.db2.gz JGFLXSZFHAWCOH-UHFFFAOYSA-N 1 2 265.331 3.501 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000483321802 1126781758 /nfs/dbraw/zinc/78/17/58/1126781758.db2.gz JGFLXSZFHAWCOH-UHFFFAOYSA-N 1 2 265.331 3.501 20 30 CHEDLO C[C@@H]1CCCC[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000183048076 1126880904 /nfs/dbraw/zinc/88/09/04/1126880904.db2.gz ADFSDEMQVZKGNT-HZPDHXFCSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000183048076 1126880909 /nfs/dbraw/zinc/88/09/09/1126880909.db2.gz ADFSDEMQVZKGNT-HZPDHXFCSA-N 1 2 271.408 3.624 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001235187306 1130721652 /nfs/dbraw/zinc/72/16/52/1130721652.db2.gz WIEPLSOMKIDMAV-LLVKDONJSA-N 1 2 274.414 3.822 20 30 CHEDLO CCSCc1cc[nH+]c(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185873051 1126904027 /nfs/dbraw/zinc/90/40/27/1126904027.db2.gz PAVLMTDLEWJWJJ-OCCSQVGLSA-N 1 2 275.421 3.829 20 30 CHEDLO CS[C@H](C/[NH+]=C\c1ccccc1O)C(C)(C)C ZINC000783682599 1130847369 /nfs/dbraw/zinc/84/73/69/1130847369.db2.gz XTRFMEIKADJQRB-MLJKTZRHSA-N 1 2 251.395 3.589 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170901 1127117914 /nfs/dbraw/zinc/11/79/14/1127117914.db2.gz JJHSSOQRWXUHEE-HFBAOOFYSA-N 1 2 294.320 3.528 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170901 1127117915 /nfs/dbraw/zinc/11/79/15/1127117915.db2.gz JJHSSOQRWXUHEE-HFBAOOFYSA-N 1 2 294.320 3.528 20 30 CHEDLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1cccc(C#N)c1 ZINC000589259000 1127217260 /nfs/dbraw/zinc/21/72/60/1127217260.db2.gz PSUHUWOIBUKGLM-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncc(C)c1 ZINC000352922385 1127250938 /nfs/dbraw/zinc/25/09/38/1127250938.db2.gz RCVDZAPLVCUSNZ-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncc(C)c1 ZINC000352922385 1127250942 /nfs/dbraw/zinc/25/09/42/1127250942.db2.gz RCVDZAPLVCUSNZ-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000590257837 1127252867 /nfs/dbraw/zinc/25/28/67/1127252867.db2.gz KVNQRGHETDLQBM-CXAGYDPISA-N 1 2 282.391 3.804 20 30 CHEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000590257849 1127253072 /nfs/dbraw/zinc/25/30/72/1127253072.db2.gz KVNQRGHETDLQBM-SUMWQHHRSA-N 1 2 282.391 3.804 20 30 CHEDLO N#Cc1ccc(C[NH+]2CC3(CC(F)C3)C2)c(C(F)(F)F)c1 ZINC000590969298 1127280022 /nfs/dbraw/zinc/28/00/22/1127280022.db2.gz MRDMGIWRUJATAF-UHFFFAOYSA-N 1 2 298.283 3.511 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2cccc(F)c2)n1 ZINC000045914448 1127309343 /nfs/dbraw/zinc/30/93/43/1127309343.db2.gz IGQPMALGONXBDQ-UHFFFAOYSA-N 1 2 272.323 3.655 20 30 CHEDLO C=CC[N@@H+](C)Cc1c(C)cc(F)cc1Br ZINC001238566965 1131217271 /nfs/dbraw/zinc/21/72/71/1131217271.db2.gz UFHNCXXCNGHKJX-UHFFFAOYSA-N 1 2 272.161 3.514 20 30 CHEDLO C=CC[N@H+](C)Cc1c(C)cc(F)cc1Br ZINC001238566965 1131217274 /nfs/dbraw/zinc/21/72/74/1131217274.db2.gz UFHNCXXCNGHKJX-UHFFFAOYSA-N 1 2 272.161 3.514 20 30 CHEDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592058197 1127333890 /nfs/dbraw/zinc/33/38/90/1127333890.db2.gz CELSTOSLXBBEQE-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592058197 1127333894 /nfs/dbraw/zinc/33/38/94/1127333894.db2.gz CELSTOSLXBBEQE-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000592071345 1127335376 /nfs/dbraw/zinc/33/53/76/1127335376.db2.gz HBHWNINPSXTLCA-GOSISDBHSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000592071345 1127335378 /nfs/dbraw/zinc/33/53/78/1127335378.db2.gz HBHWNINPSXTLCA-GOSISDBHSA-N 1 2 295.361 3.820 20 30 CHEDLO C[C@@H]([NH2+]C[C@H](C)C#N)c1ccc(-c2ccccc2)cn1 ZINC000593615193 1127391739 /nfs/dbraw/zinc/39/17/39/1127391739.db2.gz NIPVDASZGGZFDO-ZIAGYGMSSA-N 1 2 265.360 3.559 20 30 CHEDLO N#CC1(C[NH2+]Cc2ncccc2C(F)(F)F)CCCCC1 ZINC000594980777 1127443278 /nfs/dbraw/zinc/44/32/78/1127443278.db2.gz ABNJMLNDLNFXJB-UHFFFAOYSA-N 1 2 297.324 3.664 20 30 CHEDLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccc(C#N)c1 ZINC000595106108 1127453009 /nfs/dbraw/zinc/45/30/09/1127453009.db2.gz HVPXPEDRJVWDCS-NSHDSACASA-N 1 2 266.335 3.890 20 30 CHEDLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(C#N)cc1 ZINC000595106050 1127453180 /nfs/dbraw/zinc/45/31/80/1127453180.db2.gz HFGUFDSYPNEUIL-NSHDSACASA-N 1 2 266.335 3.890 20 30 CHEDLO N#C[C@H]1CCC[C@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000595096104 1127455478 /nfs/dbraw/zinc/45/54/78/1127455478.db2.gz VMKDHVNHBGFIRG-FZMZJTMJSA-N 1 2 282.309 3.589 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCSc1cccc(Cl)c1 ZINC000595343152 1127458717 /nfs/dbraw/zinc/45/87/17/1127458717.db2.gz DWBGGGBWZVFPJM-LLVKDONJSA-N 1 2 268.813 3.666 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCSc1cccc(Cl)c1 ZINC000595343152 1127458718 /nfs/dbraw/zinc/45/87/18/1127458718.db2.gz DWBGGGBWZVFPJM-LLVKDONJSA-N 1 2 268.813 3.666 20 30 CHEDLO CC[C@@H](CC(F)F)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000595463857 1127463627 /nfs/dbraw/zinc/46/36/27/1127463627.db2.gz BBTJFQYRRRFXQE-NWDGAFQWSA-N 1 2 258.356 3.682 20 30 CHEDLO CC[C@@H](CC(F)F)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000595463857 1127463628 /nfs/dbraw/zinc/46/36/28/1127463628.db2.gz BBTJFQYRRRFXQE-NWDGAFQWSA-N 1 2 258.356 3.682 20 30 CHEDLO CC(C)(C)c1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)no1 ZINC000595639002 1127469729 /nfs/dbraw/zinc/46/97/29/1127469729.db2.gz DKCPNWXZADPEOA-UHFFFAOYSA-N 1 2 297.402 3.869 20 30 CHEDLO CC(C)CCc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595613359 1127470471 /nfs/dbraw/zinc/47/04/71/1127470471.db2.gz BVYPEICBPGBRSA-CQSZACIVSA-N 1 2 291.464 3.857 20 30 CHEDLO CC(C)CCc1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595613359 1127470472 /nfs/dbraw/zinc/47/04/72/1127470472.db2.gz BVYPEICBPGBRSA-CQSZACIVSA-N 1 2 291.464 3.857 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000595615951 1127471470 /nfs/dbraw/zinc/47/14/70/1127471470.db2.gz KBKOVVQFPFYGSZ-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000595615951 1127471471 /nfs/dbraw/zinc/47/14/71/1127471471.db2.gz KBKOVVQFPFYGSZ-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO C[C@H](C#N)[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000595711195 1127473859 /nfs/dbraw/zinc/47/38/59/1127473859.db2.gz UUVKNKYDEFYBTB-BFYDXBDKSA-N 1 2 268.404 3.947 20 30 CHEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000595711195 1127473861 /nfs/dbraw/zinc/47/38/61/1127473861.db2.gz UUVKNKYDEFYBTB-BFYDXBDKSA-N 1 2 268.404 3.947 20 30 CHEDLO CC[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H](C)C#N ZINC000595818433 1127475782 /nfs/dbraw/zinc/47/57/82/1127475782.db2.gz NOZSUSIRHCKDDJ-ZMSDIMECSA-N 1 2 256.393 3.804 20 30 CHEDLO CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H](C)C#N ZINC000595818433 1127475784 /nfs/dbraw/zinc/47/57/84/1127475784.db2.gz NOZSUSIRHCKDDJ-ZMSDIMECSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000595832654 1127478670 /nfs/dbraw/zinc/47/86/70/1127478670.db2.gz CQPLDTSFTDIANZ-INIZCTEOSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000595832654 1127478673 /nfs/dbraw/zinc/47/86/73/1127478673.db2.gz CQPLDTSFTDIANZ-INIZCTEOSA-N 1 2 283.400 3.546 20 30 CHEDLO Cc1cc(OCC2(CC#N)CC2)c2cccc(C)c2[nH+]1 ZINC000596271188 1127487322 /nfs/dbraw/zinc/48/73/22/1127487322.db2.gz OMAVVYHNUHPHIB-UHFFFAOYSA-N 1 2 266.344 3.924 20 30 CHEDLO C=CCCSCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000596413016 1127502870 /nfs/dbraw/zinc/50/28/70/1127502870.db2.gz AEGUNJGCCDPCOE-UHFFFAOYSA-N 1 2 276.327 3.822 20 30 CHEDLO CCc1cc(N2CC[C@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000596530473 1127507299 /nfs/dbraw/zinc/50/72/99/1127507299.db2.gz DKYIJXIMPUACSL-QGZVFWFLSA-N 1 2 265.360 3.537 20 30 CHEDLO Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)o2)cc1 ZINC000597230099 1127534620 /nfs/dbraw/zinc/53/46/20/1127534620.db2.gz PUBLFQJVOXUSTI-SFHVURJKSA-N 1 2 280.371 3.991 20 30 CHEDLO Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)o2)cc1 ZINC000597230099 1127534622 /nfs/dbraw/zinc/53/46/22/1127534622.db2.gz PUBLFQJVOXUSTI-SFHVURJKSA-N 1 2 280.371 3.991 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000597229547 1127534759 /nfs/dbraw/zinc/53/47/59/1127534759.db2.gz MEJIJISKLUELSB-QGZVFWFLSA-N 1 2 284.334 3.821 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000597229547 1127534761 /nfs/dbraw/zinc/53/47/61/1127534761.db2.gz MEJIJISKLUELSB-QGZVFWFLSA-N 1 2 284.334 3.821 20 30 CHEDLO CCSc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597232730 1127536092 /nfs/dbraw/zinc/53/60/92/1127536092.db2.gz WNRFWLXEISULTK-OAHLLOKOSA-N 1 2 260.406 3.534 20 30 CHEDLO CCSc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597232730 1127536095 /nfs/dbraw/zinc/53/60/95/1127536095.db2.gz WNRFWLXEISULTK-OAHLLOKOSA-N 1 2 260.406 3.534 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1C(F)F ZINC000361181419 1127544959 /nfs/dbraw/zinc/54/49/59/1127544959.db2.gz MFANHYYAPDPDMK-UHFFFAOYSA-N 1 2 297.374 3.607 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1C(F)F ZINC000361181419 1127544960 /nfs/dbraw/zinc/54/49/60/1127544960.db2.gz MFANHYYAPDPDMK-UHFFFAOYSA-N 1 2 297.374 3.607 20 30 CHEDLO C=CCCCCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294526080 1127580902 /nfs/dbraw/zinc/58/09/02/1127580902.db2.gz ZPPDGVLBYFFEGS-CQSZACIVSA-N 1 2 290.436 3.682 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)sn1 ZINC000602487406 1127585127 /nfs/dbraw/zinc/58/51/27/1127585127.db2.gz XGGRGXPIMJWCDJ-IRXDYDNUSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)sn1 ZINC000602487406 1127585132 /nfs/dbraw/zinc/58/51/32/1127585132.db2.gz XGGRGXPIMJWCDJ-IRXDYDNUSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sn1 ZINC000602487393 1127585213 /nfs/dbraw/zinc/58/52/13/1127585213.db2.gz XGGRGXPIMJWCDJ-DLBZAZTESA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)sn1 ZINC000602487393 1127585218 /nfs/dbraw/zinc/58/52/18/1127585218.db2.gz XGGRGXPIMJWCDJ-DLBZAZTESA-N 1 2 297.427 3.723 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCOc2ccccc21 ZINC000362120679 1127613661 /nfs/dbraw/zinc/61/36/61/1127613661.db2.gz XFEYIMKJCCXNRZ-HNNXBMFYSA-N 1 2 296.370 3.562 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCOc2ccccc21 ZINC000362120679 1127613662 /nfs/dbraw/zinc/61/36/62/1127613662.db2.gz XFEYIMKJCCXNRZ-HNNXBMFYSA-N 1 2 296.370 3.562 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598647501 1127630500 /nfs/dbraw/zinc/63/05/00/1127630500.db2.gz BFTBGCHFUZJWQG-OAHLLOKOSA-N 1 2 278.346 3.862 20 30 CHEDLO CCC(F)(F)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000598997092 1127650829 /nfs/dbraw/zinc/65/08/29/1127650829.db2.gz VPMZGDIBRHNQBK-UHFFFAOYSA-N 1 2 266.335 3.623 20 30 CHEDLO CCCOc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028117 1127771462 /nfs/dbraw/zinc/77/14/62/1127771462.db2.gz GLLMRIPSSMLANL-UHFFFAOYSA-N 1 2 292.382 3.863 20 30 CHEDLO CCCOc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028117 1127771466 /nfs/dbraw/zinc/77/14/66/1127771466.db2.gz GLLMRIPSSMLANL-UHFFFAOYSA-N 1 2 292.382 3.863 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1ccncc1 ZINC000608493545 1127870527 /nfs/dbraw/zinc/87/05/27/1127870527.db2.gz RYPKHCPOFONCEE-CQSZACIVSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)c1ccncc1 ZINC000608493545 1127870532 /nfs/dbraw/zinc/87/05/32/1127870532.db2.gz RYPKHCPOFONCEE-CQSZACIVSA-N 1 2 270.351 3.970 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000442672583 1127906242 /nfs/dbraw/zinc/90/62/42/1127906242.db2.gz OMGDZBDOMZCLRT-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000442672583 1127906243 /nfs/dbraw/zinc/90/62/43/1127906243.db2.gz OMGDZBDOMZCLRT-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000541770211 1128038083 /nfs/dbraw/zinc/03/80/83/1128038083.db2.gz DDPJYNJPNCCXBH-DLGQBQFBSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000541770211 1128038085 /nfs/dbraw/zinc/03/80/85/1128038085.db2.gz DDPJYNJPNCCXBH-DLGQBQFBSA-N 1 2 276.330 3.602 20 30 CHEDLO CC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1Cl ZINC000154170850 1128054148 /nfs/dbraw/zinc/05/41/48/1128054148.db2.gz OHBHEYJCKFMTSJ-UHFFFAOYSA-N 1 2 274.751 3.827 20 30 CHEDLO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1Cl ZINC000154170850 1128054150 /nfs/dbraw/zinc/05/41/50/1128054150.db2.gz OHBHEYJCKFMTSJ-UHFFFAOYSA-N 1 2 274.751 3.827 20 30 CHEDLO C=C1CC(C)(c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)C1 ZINC000924125246 1128091090 /nfs/dbraw/zinc/09/10/90/1128091090.db2.gz ZWEKIIIRCABIMA-ZDUSSCGKSA-N 1 2 286.379 3.509 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000493178391 1128127418 /nfs/dbraw/zinc/12/74/18/1128127418.db2.gz FCDWUJFPXRGULJ-UHFFFAOYSA-N 1 2 280.799 3.863 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000493178391 1128127419 /nfs/dbraw/zinc/12/74/19/1128127419.db2.gz FCDWUJFPXRGULJ-UHFFFAOYSA-N 1 2 280.799 3.863 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000926343471 1128168032 /nfs/dbraw/zinc/16/80/32/1128168032.db2.gz GESONWDIVYCMBA-BXUZGUMPSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C#N)c1O ZINC000926355162 1128168668 /nfs/dbraw/zinc/16/86/68/1128168668.db2.gz DCYBFIYWSFUCSW-KVULBXGLSA-N 1 2 297.402 3.635 20 30 CHEDLO CC[C@H]([NH2+]CCCOC(C)(C)C)c1cccc(C#N)c1O ZINC000926697613 1128188489 /nfs/dbraw/zinc/18/84/89/1128188489.db2.gz XDYKDAXELMINJU-HNNXBMFYSA-N 1 2 290.407 3.510 20 30 CHEDLO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C#N)c1O ZINC000926712022 1128190104 /nfs/dbraw/zinc/19/01/04/1128190104.db2.gz POTBIFMXTHUQHM-MRXNPFEDSA-N 1 2 297.402 3.779 20 30 CHEDLO C#CCOc1ccc([C@H](C)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000777602702 1128190307 /nfs/dbraw/zinc/19/03/07/1128190307.db2.gz SXZVAWJQTVISLR-HNNXBMFYSA-N 1 2 294.398 3.938 20 30 CHEDLO CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1cccc(C#N)c1O ZINC000926802824 1128195630 /nfs/dbraw/zinc/19/56/30/1128195630.db2.gz ZPVHUFXJRKQVDR-ZDUSSCGKSA-N 1 2 296.361 3.986 20 30 CHEDLO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134928637 1128216067 /nfs/dbraw/zinc/21/60/67/1128216067.db2.gz KSOHUUJFHYBNDU-SFYZADRCSA-N 1 2 288.160 3.519 20 30 CHEDLO CC[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1Cl ZINC000929255657 1128266634 /nfs/dbraw/zinc/26/66/34/1128266634.db2.gz SLHBIDSSYHNQJG-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1Cl ZINC000929255657 1128266636 /nfs/dbraw/zinc/26/66/36/1128266636.db2.gz SLHBIDSSYHNQJG-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C=C(C)CN(Cc1[nH]c(C)[nH+]c1C)Cc1ccccc1 ZINC000930272156 1128312062 /nfs/dbraw/zinc/31/20/62/1128312062.db2.gz BMOOEWFNWCBZEY-UHFFFAOYSA-N 1 2 269.392 3.605 20 30 CHEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000488001560 1128332730 /nfs/dbraw/zinc/33/27/30/1128332730.db2.gz KEFBSQICCJQLOV-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000488001560 1128332733 /nfs/dbraw/zinc/33/27/33/1128332733.db2.gz KEFBSQICCJQLOV-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CC(C)(C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)co1 ZINC000930931363 1128340409 /nfs/dbraw/zinc/34/04/09/1128340409.db2.gz UIKQXWNCNDTKHJ-UHFFFAOYSA-N 1 2 297.402 3.869 20 30 CHEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156315 1128396798 /nfs/dbraw/zinc/39/67/98/1128396798.db2.gz AUYTUUZFKKSCMS-NEPJUHHUSA-N 1 2 280.318 3.585 20 30 CHEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156315 1128396803 /nfs/dbraw/zinc/39/68/03/1128396803.db2.gz AUYTUUZFKKSCMS-NEPJUHHUSA-N 1 2 280.318 3.585 20 30 CHEDLO Cc1cc(C(N)=[NH+]OCCCCC(F)(F)F)ccc1F ZINC000154264905 1128472376 /nfs/dbraw/zinc/47/23/76/1128472376.db2.gz MDMMCEZQVHIANB-UHFFFAOYSA-N 1 2 292.276 3.504 20 30 CHEDLO C(=[NH+]Nc1ccccc1)c1ccc(N2CCCCC2)o1 ZINC000917564194 1128506092 /nfs/dbraw/zinc/50/60/92/1128506092.db2.gz XQHWKPMAMUMJQJ-UHFFFAOYSA-N 1 2 269.348 3.716 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000565811579 1128532852 /nfs/dbraw/zinc/53/28/52/1128532852.db2.gz YMGWQRXBCQXYTF-UHFFFAOYSA-N 1 2 284.334 3.788 20 30 CHEDLO C[N@H+](Cc1ccccc1OC1CCCC1)CC(C)(C)C#N ZINC000567415728 1128563820 /nfs/dbraw/zinc/56/38/20/1128563820.db2.gz OJYQBFFLFDBABN-UHFFFAOYSA-N 1 2 286.419 3.990 20 30 CHEDLO C[N@@H+](Cc1ccccc1OC1CCCC1)CC(C)(C)C#N ZINC000567415728 1128563822 /nfs/dbraw/zinc/56/38/22/1128563822.db2.gz OJYQBFFLFDBABN-UHFFFAOYSA-N 1 2 286.419 3.990 20 30 CHEDLO C=CCC[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000130656289 1128591504 /nfs/dbraw/zinc/59/15/04/1128591504.db2.gz JJPKCLRFNNJKDW-AWEZNQCLSA-N 1 2 259.397 3.839 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000571868193 1128639638 /nfs/dbraw/zinc/63/96/38/1128639638.db2.gz ZCQOAUSMIHHOMI-HNNXBMFYSA-N 1 2 294.398 3.841 20 30 CHEDLO CC(C)(CC/[NH+]=C\c1cccc(O)c1O)c1ccccc1 ZINC000920177313 1128670963 /nfs/dbraw/zinc/67/09/63/1128670963.db2.gz GBKLLIGJRTWXIT-UYRXBGFRSA-N 1 2 283.371 3.885 20 30 CHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000920375057 1128678640 /nfs/dbraw/zinc/67/86/40/1128678640.db2.gz QOEBLDYHHBMZFS-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000610004205 1128733997 /nfs/dbraw/zinc/73/39/97/1128733997.db2.gz FJSJXXHFFIEVMP-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000610004205 1128734002 /nfs/dbraw/zinc/73/40/02/1128734002.db2.gz FJSJXXHFFIEVMP-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nc(CCC)no1)c1ccccc1 ZINC000180034666 1117920308 /nfs/dbraw/zinc/92/03/08/1117920308.db2.gz JGDRPZQALAQQSC-OAHLLOKOSA-N 1 2 285.391 3.819 20 30 CHEDLO C#CCCC[N@@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001209269288 1118022226 /nfs/dbraw/zinc/02/22/26/1118022226.db2.gz SYJMDVXXURSTFU-OAHLLOKOSA-N 1 2 263.331 3.525 20 30 CHEDLO C#CCCC[N@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001209269288 1118022232 /nfs/dbraw/zinc/02/22/32/1118022232.db2.gz SYJMDVXXURSTFU-OAHLLOKOSA-N 1 2 263.331 3.525 20 30 CHEDLO C=CCCCCCC[N@H+](CCC#N)Cc1cccnc1 ZINC001209431753 1118053186 /nfs/dbraw/zinc/05/31/86/1118053186.db2.gz SBBOVBGSKKSLRX-UHFFFAOYSA-N 1 2 271.408 3.934 20 30 CHEDLO C=CCCCCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001209431753 1118053190 /nfs/dbraw/zinc/05/31/90/1118053190.db2.gz SBBOVBGSKKSLRX-UHFFFAOYSA-N 1 2 271.408 3.934 20 30 CHEDLO C=CCCCCCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209437990 1118056058 /nfs/dbraw/zinc/05/60/58/1118056058.db2.gz BAVWPTUARKYVKD-CQSZACIVSA-N 1 2 275.383 3.605 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209437990 1118056060 /nfs/dbraw/zinc/05/60/60/1118056060.db2.gz BAVWPTUARKYVKD-CQSZACIVSA-N 1 2 275.383 3.605 20 30 CHEDLO CC(C)OCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255073243 1118179762 /nfs/dbraw/zinc/17/97/62/1118179762.db2.gz DSZXWNLTLKKBAW-PDGQHHTCSA-N 1 2 271.360 3.779 20 30 CHEDLO CCOC(=O)C[C@@H](C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255161825 1118353496 /nfs/dbraw/zinc/35/34/96/1118353496.db2.gz SCGYEPZNEAVGOD-CQLSMYGBSA-N 1 2 299.370 3.554 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1cccc(Cl)c1O ZINC000779170235 1128775635 /nfs/dbraw/zinc/77/56/35/1128775635.db2.gz SKYYZRYEYOFWOO-UHFFFAOYSA-N 1 2 291.778 3.869 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1cccc(Cl)c1O ZINC000779170235 1128775639 /nfs/dbraw/zinc/77/56/39/1128775639.db2.gz SKYYZRYEYOFWOO-UHFFFAOYSA-N 1 2 291.778 3.869 20 30 CHEDLO CC#Cc1cncc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001211055103 1118449601 /nfs/dbraw/zinc/44/96/01/1118449601.db2.gz KFCLYMWJXATHEB-UHFFFAOYSA-N 1 2 292.386 3.582 20 30 CHEDLO CC(C)[N@H+](Cc1nccn1C1CC1)Cc1ccc(C#N)cc1 ZINC000891625007 1118724526 /nfs/dbraw/zinc/72/45/26/1118724526.db2.gz JRSOSLTXZMNOIJ-UHFFFAOYSA-N 1 2 294.402 3.500 20 30 CHEDLO CC(C)[N@@H+](Cc1nccn1C1CC1)Cc1ccc(C#N)cc1 ZINC000891625007 1118724529 /nfs/dbraw/zinc/72/45/29/1118724529.db2.gz JRSOSLTXZMNOIJ-UHFFFAOYSA-N 1 2 294.402 3.500 20 30 CHEDLO Cc1cc(NCc2cccc(C#N)c2)nc(C2CCC2)[nH+]1 ZINC000891792346 1118776825 /nfs/dbraw/zinc/77/68/25/1118776825.db2.gz GXPDDSOQWNKRTI-UHFFFAOYSA-N 1 2 278.359 3.536 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CCC[C@H]2CCCCO2)c1 ZINC000588457750 1118821291 /nfs/dbraw/zinc/82/12/91/1118821291.db2.gz IWWIRWLZBUSOOT-QLENYVDCSA-N 1 2 291.391 3.559 20 30 CHEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892202055 1119022647 /nfs/dbraw/zinc/02/26/47/1119022647.db2.gz PCQMXLWBTJWGBR-DLBZAZTESA-N 1 2 296.370 3.560 20 30 CHEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892202055 1119022651 /nfs/dbraw/zinc/02/26/51/1119022651.db2.gz PCQMXLWBTJWGBR-DLBZAZTESA-N 1 2 296.370 3.560 20 30 CHEDLO C=CCN(Cc1ccc(Cl)s1)Cc1[nH+]cc(C)n1C ZINC000342790920 1119171099 /nfs/dbraw/zinc/17/10/99/1119171099.db2.gz NHCINYMMVDYPKZ-UHFFFAOYSA-N 1 2 295.839 3.632 20 30 CHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(F)c(F)c(F)c1 ZINC000181014355 1128828485 /nfs/dbraw/zinc/82/84/85/1128828485.db2.gz GHRCTSXWJKKCRA-UHFFFAOYSA-N 1 2 296.317 3.669 20 30 CHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(F)c(F)c(F)c1 ZINC000181014355 1128828488 /nfs/dbraw/zinc/82/84/88/1128828488.db2.gz GHRCTSXWJKKCRA-UHFFFAOYSA-N 1 2 296.317 3.669 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(C#N)ccc1F ZINC000044438784 1119325723 /nfs/dbraw/zinc/32/57/23/1119325723.db2.gz ODELMVHZYKHPKO-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(C#N)ccc1F ZINC000044438784 1119325725 /nfs/dbraw/zinc/32/57/25/1119325725.db2.gz ODELMVHZYKHPKO-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721580313 1119558614 /nfs/dbraw/zinc/55/86/14/1119558614.db2.gz HVMSYJCGROHUAY-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721580313 1119558615 /nfs/dbraw/zinc/55/86/15/1119558615.db2.gz HVMSYJCGROHUAY-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO CCn1c2ccccc2[nH+]c1NCc1cccc(C#N)c1 ZINC000158884218 1119588777 /nfs/dbraw/zinc/58/87/77/1119588777.db2.gz NXFYXQNDWMLJMB-UHFFFAOYSA-N 1 2 276.343 3.540 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)c(F)c(C)c1 ZINC000901479665 1128865251 /nfs/dbraw/zinc/86/52/51/1128865251.db2.gz HUXCWVJERIYNRW-WAYWQWQTSA-N 1 2 272.323 3.555 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000612405653 1119784300 /nfs/dbraw/zinc/78/43/00/1119784300.db2.gz CBUVKPRYLWJWDZ-INIZCTEOSA-N 1 2 272.323 3.698 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000612405653 1119784303 /nfs/dbraw/zinc/78/43/03/1119784303.db2.gz CBUVKPRYLWJWDZ-INIZCTEOSA-N 1 2 272.323 3.698 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000612584861 1119802285 /nfs/dbraw/zinc/80/22/85/1119802285.db2.gz FCZFJDMPJXMVNL-UHFFFAOYSA-N 1 2 270.332 3.711 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000612585129 1119802553 /nfs/dbraw/zinc/80/25/53/1119802553.db2.gz PFOUWPZDFJYVNN-UHFFFAOYSA-N 1 2 291.826 3.580 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052440324 1119825458 /nfs/dbraw/zinc/82/54/58/1119825458.db2.gz NVPXAKBFAQTGLC-VIFPVBQESA-N 1 2 260.200 3.650 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000052440324 1119825462 /nfs/dbraw/zinc/82/54/62/1119825462.db2.gz NVPXAKBFAQTGLC-VIFPVBQESA-N 1 2 260.200 3.650 20 30 CHEDLO CC[C@H]([NH2+]CCCc1ccco1)c1cccc(C#N)c1O ZINC000926728778 1119871903 /nfs/dbraw/zinc/87/19/03/1119871903.db2.gz SGBLQURBTMINQM-INIZCTEOSA-N 1 2 284.359 3.530 20 30 CHEDLO C=CCC(C)(C)c1noc([C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000924080438 1119888140 /nfs/dbraw/zinc/88/81/40/1119888140.db2.gz VCKXOAYTOCEMKV-CYBMUJFWSA-N 1 2 275.396 3.613 20 30 CHEDLO C=CCC(C)(C)c1noc([C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000924080438 1119888145 /nfs/dbraw/zinc/88/81/45/1119888145.db2.gz VCKXOAYTOCEMKV-CYBMUJFWSA-N 1 2 275.396 3.613 20 30 CHEDLO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000613540394 1120021983 /nfs/dbraw/zinc/02/19/83/1120021983.db2.gz UHVAZCDZFMBRBL-OAHLLOKOSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1[nH]c(-c2cccc(NC(=O)CC(C)(C)C#N)c2)[nH+]c1C ZINC000376590469 1120073882 /nfs/dbraw/zinc/07/38/82/1120073882.db2.gz WCGUEZAUYMWWDC-UHFFFAOYSA-N 1 2 296.374 3.572 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1C#N ZINC000054272054 1120085256 /nfs/dbraw/zinc/08/52/56/1120085256.db2.gz JWOUKWXBXGBLFG-UHFFFAOYSA-N 1 2 292.382 3.755 20 30 CHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1C#N ZINC000054272054 1120085261 /nfs/dbraw/zinc/08/52/61/1120085261.db2.gz JWOUKWXBXGBLFG-UHFFFAOYSA-N 1 2 292.382 3.755 20 30 CHEDLO CC(C)c1nc(C(=O)/C=C\c2cccc3[nH+]ccn32)cs1 ZINC000779358113 1128890398 /nfs/dbraw/zinc/89/03/98/1128890398.db2.gz MUQYHJRPILPRJC-SREVYHEPSA-N 1 2 297.383 3.810 20 30 CHEDLO CC[C@@H]([NH2+]CCc1ccsc1)c1cccc(C#N)c1O ZINC000924601658 1120129007 /nfs/dbraw/zinc/12/90/07/1120129007.db2.gz GSZWAEHEPOEJRB-OAHLLOKOSA-N 1 2 286.400 3.609 20 30 CHEDLO CC[C@H]([NH2+]CCc1ccsc1)c1cccc(C#N)c1O ZINC000924601656 1120129133 /nfs/dbraw/zinc/12/91/33/1120129133.db2.gz GSZWAEHEPOEJRB-HNNXBMFYSA-N 1 2 286.400 3.609 20 30 CHEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000301420492 1120136979 /nfs/dbraw/zinc/13/69/79/1120136979.db2.gz DUPFJQATCAGXTN-ZDUSSCGKSA-N 1 2 280.375 3.953 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCc2c[nH]c3ccccc23)c1 ZINC000108527955 1120162164 /nfs/dbraw/zinc/16/21/64/1120162164.db2.gz UCCBJYIBVULASF-ODLFYWEKSA-N 1 2 294.354 3.544 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1ccc(Br)cc1 ZINC000428836138 1120162578 /nfs/dbraw/zinc/16/25/78/1120162578.db2.gz BBIPAGDXZOXERN-GFCCVEGCSA-N 1 2 293.208 3.912 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H](C)c1ccc(Br)cc1 ZINC000428836138 1120162579 /nfs/dbraw/zinc/16/25/79/1120162579.db2.gz BBIPAGDXZOXERN-GFCCVEGCSA-N 1 2 293.208 3.912 20 30 CHEDLO Cc1ccc([C@@H]([NH2+]CC(C)(C)C#N)c2cccnc2)cc1 ZINC000926873552 1120172905 /nfs/dbraw/zinc/17/29/05/1120172905.db2.gz GOKXMAUIGUXFNQ-QGZVFWFLSA-N 1 2 279.387 3.619 20 30 CHEDLO CC(C)c1cc(N2CCC(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000542864271 1120189395 /nfs/dbraw/zinc/18/93/95/1120189395.db2.gz SRMHMLILEAFWPH-UHFFFAOYSA-N 1 2 286.423 3.853 20 30 CHEDLO C=C(Br)C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178374311 1120481104 /nfs/dbraw/zinc/48/11/04/1120481104.db2.gz KPTKIPUJMHDESB-LLVKDONJSA-N 1 2 284.197 3.684 20 30 CHEDLO C=C(Br)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178374311 1120481107 /nfs/dbraw/zinc/48/11/07/1120481107.db2.gz KPTKIPUJMHDESB-LLVKDONJSA-N 1 2 284.197 3.684 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000123829219 1120546284 /nfs/dbraw/zinc/54/62/84/1120546284.db2.gz WZHSENCDCLNNPJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000123829219 1120546288 /nfs/dbraw/zinc/54/62/88/1120546288.db2.gz WZHSENCDCLNNPJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO COc1ccc(CNc2ccc([NH+](C)C)cc2C)cc1C#N ZINC000124948252 1120591271 /nfs/dbraw/zinc/59/12/71/1120591271.db2.gz XKCJPWITMACPDZ-UHFFFAOYSA-N 1 2 295.386 3.553 20 30 CHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000428972437 1120592919 /nfs/dbraw/zinc/59/29/19/1120592919.db2.gz FTCDCLACXMOMBE-UHFFFAOYSA-N 1 2 282.318 3.580 20 30 CHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000428972437 1120592923 /nfs/dbraw/zinc/59/29/23/1120592923.db2.gz FTCDCLACXMOMBE-UHFFFAOYSA-N 1 2 282.318 3.580 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000054182832 1120636746 /nfs/dbraw/zinc/63/67/46/1120636746.db2.gz FWOQDZXHRHUNPQ-AWEZNQCLSA-N 1 2 272.323 3.868 20 30 CHEDLO CCc1cnc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000075645760 1120675032 /nfs/dbraw/zinc/67/50/32/1120675032.db2.gz LKZYWEPPEZOMTQ-ZDUSSCGKSA-N 1 2 283.375 3.692 20 30 CHEDLO CCc1cnc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000075645760 1120675034 /nfs/dbraw/zinc/67/50/34/1120675034.db2.gz LKZYWEPPEZOMTQ-ZDUSSCGKSA-N 1 2 283.375 3.692 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)o1 ZINC000162866556 1120694527 /nfs/dbraw/zinc/69/45/27/1120694527.db2.gz WTMDBNRQSHOUQL-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)o1 ZINC000162866556 1120694530 /nfs/dbraw/zinc/69/45/30/1120694530.db2.gz WTMDBNRQSHOUQL-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000093100517 1120704905 /nfs/dbraw/zinc/70/49/05/1120704905.db2.gz HDVYRUXCRZNPGE-IEBWSBKVSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000093100517 1120704911 /nfs/dbraw/zinc/70/49/11/1120704911.db2.gz HDVYRUXCRZNPGE-IEBWSBKVSA-N 1 2 291.398 3.601 20 30 CHEDLO Cc1c(Cl)ccc(C[NH2+]C[C@@H](C)C#N)c1Cl ZINC000893544105 1120875689 /nfs/dbraw/zinc/87/56/89/1120875689.db2.gz JPHPMFALGHWHLV-QMMMGPOBSA-N 1 2 257.164 3.551 20 30 CHEDLO COc1cccc2c(N[C@H]3CC[C@H](C#N)CC3)cc[nH+]c12 ZINC001167846084 1121088142 /nfs/dbraw/zinc/08/81/42/1121088142.db2.gz ULNWTMODEHSUGD-JOCQHMNTSA-N 1 2 281.359 3.738 20 30 CHEDLO Cc1sc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1C ZINC001175346194 1121274658 /nfs/dbraw/zinc/27/46/58/1121274658.db2.gz NXMQDMSRWZLGBG-UHFFFAOYSA-N 1 2 298.415 3.975 20 30 CHEDLO C#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC001175352809 1121293907 /nfs/dbraw/zinc/29/39/07/1121293907.db2.gz RTMHCJHPMDLFKP-UHFFFAOYSA-N 1 2 281.334 3.546 20 30 CHEDLO CC[N@H+](Cc1nc(C(C)C)c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893952955 1121446953 /nfs/dbraw/zinc/44/69/53/1121446953.db2.gz XMZHWKPIONFAMW-AWEZNQCLSA-N 1 2 296.418 3.988 20 30 CHEDLO CC[N@@H+](Cc1nc(C(C)C)c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893952955 1121446954 /nfs/dbraw/zinc/44/69/54/1121446954.db2.gz XMZHWKPIONFAMW-AWEZNQCLSA-N 1 2 296.418 3.988 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000676715701 1121459717 /nfs/dbraw/zinc/45/97/17/1121459717.db2.gz GDEHULXWMYFUNG-SFHVURJKSA-N 1 2 296.801 3.924 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000676715701 1121459721 /nfs/dbraw/zinc/45/97/21/1121459721.db2.gz GDEHULXWMYFUNG-SFHVURJKSA-N 1 2 296.801 3.924 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000676715700 1121459993 /nfs/dbraw/zinc/45/99/93/1121459993.db2.gz GDEHULXWMYFUNG-GOSISDBHSA-N 1 2 296.801 3.924 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000676715700 1121459995 /nfs/dbraw/zinc/45/99/95/1121459995.db2.gz GDEHULXWMYFUNG-GOSISDBHSA-N 1 2 296.801 3.924 20 30 CHEDLO C=C(C)CNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001163382269 1121558429 /nfs/dbraw/zinc/55/84/29/1121558429.db2.gz YMABBPAVRAVDMR-UHFFFAOYSA-N 1 2 255.243 3.570 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)c(F)c1 ZINC000730147443 1121795243 /nfs/dbraw/zinc/79/52/43/1121795243.db2.gz FWUUPDWBKUPBBM-UHFFFAOYSA-N 1 2 297.308 3.771 20 30 CHEDLO Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731159834 1121853315 /nfs/dbraw/zinc/85/33/15/1121853315.db2.gz XPJAVNBYXMFQPJ-BQYQJAHWSA-N 1 2 295.367 3.738 20 30 CHEDLO Cc1ccc2[nH+]c(NCc3ccc(C#N)c(C)c3)[nH]c2c1 ZINC001179437143 1121876913 /nfs/dbraw/zinc/87/69/13/1121876913.db2.gz AJUNYSDJUYNFOK-UHFFFAOYSA-N 1 2 276.343 3.664 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CCc2ccccc21 ZINC000731938519 1121896952 /nfs/dbraw/zinc/89/69/52/1121896952.db2.gz UDCNPQQUUMPHOZ-IIMQCXAKSA-N 1 2 251.329 3.541 20 30 CHEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCc3ccccc32)c1O ZINC000731937675 1121897349 /nfs/dbraw/zinc/89/73/49/1121897349.db2.gz MNQPERSRSHXBSK-OOWUWCJESA-N 1 2 295.382 3.940 20 30 CHEDLO N#Cc1cncc(Nc2ccc([NH2+]CC3CCCC3)cc2)n1 ZINC000420583865 1122022166 /nfs/dbraw/zinc/02/21/66/1122022166.db2.gz LYZCUXUWZUOCLS-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccn1C ZINC000153224245 1129026494 /nfs/dbraw/zinc/02/64/94/1129026494.db2.gz URJHUDBISVPEGH-UHFFFAOYSA-N 1 2 280.824 3.928 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccn1C ZINC000153224245 1129026497 /nfs/dbraw/zinc/02/64/97/1129026497.db2.gz URJHUDBISVPEGH-UHFFFAOYSA-N 1 2 280.824 3.928 20 30 CHEDLO COCCC1(C/[NH+]=C/c2cccc(O)c2O)CCCCC1 ZINC000773905720 1122042868 /nfs/dbraw/zinc/04/28/68/1122042868.db2.gz LYWZCWOTCJQJGK-LDADJPATSA-N 1 2 291.391 3.504 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC001182160011 1122116451 /nfs/dbraw/zinc/11/64/51/1122116451.db2.gz DLHIIBWCMASBMM-HNNXBMFYSA-N 1 2 291.181 3.853 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCCCCC1 ZINC000505740760 1122503584 /nfs/dbraw/zinc/50/35/84/1122503584.db2.gz WUBFZRHCSVLQGW-UHFFFAOYSA-N 1 2 260.381 3.966 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)CC1CCCCCC1 ZINC000505740760 1122503589 /nfs/dbraw/zinc/50/35/89/1122503589.db2.gz WUBFZRHCSVLQGW-UHFFFAOYSA-N 1 2 260.381 3.966 20 30 CHEDLO NC(Cc1ccccc1)=[NH+]OCc1ccc(F)cc1Cl ZINC000108448652 1122762746 /nfs/dbraw/zinc/76/27/46/1122762746.db2.gz ZTVCDXUGVHNHRL-UHFFFAOYSA-N 1 2 292.741 3.511 20 30 CHEDLO C=CCC(C)(C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000426401007 1122784581 /nfs/dbraw/zinc/78/45/81/1122784581.db2.gz MAMKVCYATJLMJF-UHFFFAOYSA-N 1 2 294.358 3.776 20 30 CHEDLO CC(C)[C@H](O)C1(C/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000775628898 1122829098 /nfs/dbraw/zinc/82/90/98/1122829098.db2.gz BCTMHCTXFKPSHY-PQFHHTBUSA-N 1 2 297.398 3.761 20 30 CHEDLO CC(C)[C@H](O)C1(C/[NH+]=C\c2c(O)ccc3ccccc32)CC1 ZINC000775628894 1122829247 /nfs/dbraw/zinc/82/92/47/1122829247.db2.gz BCTMHCTXFKPSHY-ISRVBRPNSA-N 1 2 297.398 3.761 20 30 CHEDLO N#CCC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440313990 1122836781 /nfs/dbraw/zinc/83/67/81/1122836781.db2.gz HZBGVKNGUIKWSJ-GFCCVEGCSA-N 1 2 299.201 3.750 20 30 CHEDLO N#CCC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440313990 1122836788 /nfs/dbraw/zinc/83/67/88/1122836788.db2.gz HZBGVKNGUIKWSJ-GFCCVEGCSA-N 1 2 299.201 3.750 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(Cl)cc1 ZINC000894553124 1122874183 /nfs/dbraw/zinc/87/41/83/1122874183.db2.gz OHCBPPHVCGNTSS-QGZVFWFLSA-N 1 2 299.805 3.726 20 30 CHEDLO CC(C)(C)c1csc(CC/[NH+]=C/c2ccccc2O)n1 ZINC000105356240 1123049100 /nfs/dbraw/zinc/04/91/00/1123049100.db2.gz GYHGNSFAGCRXGT-LICLKQGHSA-N 1 2 288.416 3.808 20 30 CHEDLO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC001201291367 1123082736 /nfs/dbraw/zinc/08/27/36/1123082736.db2.gz GVTUVKVMWHUKEI-UHFFFAOYSA-N 1 2 279.130 3.586 20 30 CHEDLO CCCCCCCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001201874603 1123156929 /nfs/dbraw/zinc/15/69/29/1123156929.db2.gz ADGYPGWZPOKTRM-UHFFFAOYSA-N 1 2 263.429 3.876 20 30 CHEDLO CCCCCCCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001201874603 1123156930 /nfs/dbraw/zinc/15/69/30/1123156930.db2.gz ADGYPGWZPOKTRM-UHFFFAOYSA-N 1 2 263.429 3.876 20 30 CHEDLO CC1(C)OCC[C@@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000852998737 1123417694 /nfs/dbraw/zinc/41/76/94/1123417694.db2.gz QRVLYOUTGGINDY-ONDHQXCVSA-N 1 2 283.371 3.779 20 30 CHEDLO CC1(C)OCC[C@@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000852998738 1123417894 /nfs/dbraw/zinc/41/78/94/1123417894.db2.gz QRVLYOUTGGINDY-VCRXTVNUSA-N 1 2 283.371 3.779 20 30 CHEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428285761 1123450828 /nfs/dbraw/zinc/45/08/28/1123450828.db2.gz JOKVFBLTJKGNEN-CYBMUJFWSA-N 1 2 298.361 3.865 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)c(F)cc1Br ZINC000862326353 1123800054 /nfs/dbraw/zinc/80/00/54/1123800054.db2.gz MYQKKDRSELZCGF-LLVKDONJSA-N 1 2 299.187 3.679 20 30 CHEDLO CSc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000119124360 1123832500 /nfs/dbraw/zinc/83/25/00/1123832500.db2.gz OHQWDVQCUONNCF-JXMROGBWSA-N 1 2 294.379 3.952 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1c[nH]c2ccccc21 ZINC000119129752 1123833680 /nfs/dbraw/zinc/83/36/80/1123833680.db2.gz XYMAOYKYAKBEFN-CMDGGOBGSA-N 1 2 287.322 3.712 20 30 CHEDLO C=C(Br)C[N@@H+](C)Cc1cccc(C)c1C ZINC000794651699 1123925038 /nfs/dbraw/zinc/92/50/38/1123925038.db2.gz YFECQLSXCRKJCY-UHFFFAOYSA-N 1 2 268.198 3.644 20 30 CHEDLO C=C(Br)C[N@H+](C)Cc1cccc(C)c1C ZINC000794651699 1123925043 /nfs/dbraw/zinc/92/50/43/1123925043.db2.gz YFECQLSXCRKJCY-UHFFFAOYSA-N 1 2 268.198 3.644 20 30 CHEDLO C=C(Br)CNc1cc[nH+]c2c(OC)cccc12 ZINC000302447603 1123968628 /nfs/dbraw/zinc/96/86/28/1123968628.db2.gz OHWSYLGYUZDHOE-UHFFFAOYSA-N 1 2 293.164 3.564 20 30 CHEDLO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214417 1124037438 /nfs/dbraw/zinc/03/74/38/1124037438.db2.gz CEHLVGQOQVFWNI-CHWSQXEVSA-N 1 2 284.359 3.529 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cccc(C#N)c1O ZINC000866239727 1124041042 /nfs/dbraw/zinc/04/10/42/1124041042.db2.gz XIGXGTHEVSVBCK-NWDGAFQWSA-N 1 2 286.400 3.607 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1cccc(C#N)c1 ZINC000866276739 1124046859 /nfs/dbraw/zinc/04/68/59/1124046859.db2.gz URQPFNNMGUUQCO-XZOAIXRZSA-N 1 2 296.345 3.681 20 30 CHEDLO Nc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000821027303 1131315536 /nfs/dbraw/zinc/31/55/36/1131315536.db2.gz FVQFPLHWWTWVDS-ORCRQEGFSA-N 1 2 293.153 3.867 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(F)c(F)c3)c[nH+]c12 ZINC000125303432 1124881008 /nfs/dbraw/zinc/88/10/08/1124881008.db2.gz QQDVNRHNVYPKEW-FNORWQNLSA-N 1 2 298.292 3.817 20 30 CHEDLO C#CCCCCCC[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000876819676 1124980831 /nfs/dbraw/zinc/98/08/31/1124980831.db2.gz MAWUAXMFYJZQRZ-UHFFFAOYSA-N 1 2 286.419 3.519 20 30 CHEDLO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000450752774 1125102582 /nfs/dbraw/zinc/10/25/82/1125102582.db2.gz DKIQKXLNVSXKKM-KGLIPLIRSA-N 1 2 274.751 3.644 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC000878992475 1125188866 /nfs/dbraw/zinc/18/88/66/1125188866.db2.gz ZHWCYLAHVPHEDS-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC000878992475 1125188867 /nfs/dbraw/zinc/18/88/67/1125188867.db2.gz ZHWCYLAHVPHEDS-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170971128 1131344493 /nfs/dbraw/zinc/34/44/93/1131344493.db2.gz OAJFHYVXOQGJSU-AWEZNQCLSA-N 1 2 273.326 3.970 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1Br ZINC000129156168 1125326547 /nfs/dbraw/zinc/32/65/47/1125326547.db2.gz JASNDSCZLFAMCF-JTQLQIEISA-N 1 2 281.197 3.649 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000191612415 1125386064 /nfs/dbraw/zinc/38/60/64/1125386064.db2.gz GCYRMPCEZNNOCL-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000191612415 1125386066 /nfs/dbraw/zinc/38/60/66/1125386066.db2.gz GCYRMPCEZNNOCL-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=CCCC[C@@H](C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000638837809 1129271714 /nfs/dbraw/zinc/27/17/14/1129271714.db2.gz XPXQCXXRQBHKCM-UKRRQHHQSA-N 1 2 276.428 3.761 20 30 CHEDLO CCCCCCC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187216336 1129281755 /nfs/dbraw/zinc/28/17/55/1129281755.db2.gz PHUPUPVABXYSJE-SFHVURJKSA-N 1 2 267.438 3.918 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(-c2ccccc2)no1 ZINC000739913974 1129409139 /nfs/dbraw/zinc/40/91/39/1129409139.db2.gz FREFUVIENDNXAV-UHFFFAOYSA-N 1 2 283.375 3.713 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(-c2ccccc2)no1 ZINC000739913974 1129409141 /nfs/dbraw/zinc/40/91/41/1129409141.db2.gz FREFUVIENDNXAV-UHFFFAOYSA-N 1 2 283.375 3.713 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H](C)c2ccc(C)cc2)c1O ZINC000737440912 1129447205 /nfs/dbraw/zinc/44/72/05/1129447205.db2.gz UDOFLHDJCKUQTF-VCRXTVNUSA-N 1 2 283.371 3.932 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000796048751 1129465144 /nfs/dbraw/zinc/46/51/44/1129465144.db2.gz BXVHVXSBIYBRJC-ZDUSSCGKSA-N 1 2 270.401 3.572 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000796048751 1129465146 /nfs/dbraw/zinc/46/51/46/1129465146.db2.gz BXVHVXSBIYBRJC-ZDUSSCGKSA-N 1 2 270.401 3.572 20 30 CHEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1 ZINC000766420509 1129665357 /nfs/dbraw/zinc/66/53/57/1129665357.db2.gz HYDTVTNVQIIDTI-GFCCVEGCSA-N 1 2 292.766 3.657 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC001137653198 1131392083 /nfs/dbraw/zinc/39/20/83/1131392083.db2.gz BGSLENWRSYRMOS-UHFFFAOYSA-N 1 2 268.763 3.995 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC001137653198 1131392089 /nfs/dbraw/zinc/39/20/89/1131392089.db2.gz BGSLENWRSYRMOS-UHFFFAOYSA-N 1 2 268.763 3.995 20 30 CHEDLO C[C@@](C#N)(Nc1[nH+]ccc2c1CCN2)c1ccccc1Cl ZINC001169372394 1129721675 /nfs/dbraw/zinc/72/16/75/1129721675.db2.gz FJPXZMHCJYSDQC-INIZCTEOSA-N 1 2 298.777 3.554 20 30 CHEDLO C[C@@](C#N)(Nc1ccn2cc[nH+]c2c1)c1ccccc1Cl ZINC001169381344 1129723054 /nfs/dbraw/zinc/72/30/54/1129723054.db2.gz SZYQGLRLESEZKE-INIZCTEOSA-N 1 2 296.761 3.839 20 30 CHEDLO C=CCC(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000796472715 1129738615 /nfs/dbraw/zinc/73/86/15/1129738615.db2.gz AIYVXNHRRYZKDH-UHFFFAOYSA-N 1 2 298.386 3.826 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccccc1N(C)C ZINC000769587379 1129918720 /nfs/dbraw/zinc/91/87/20/1129918720.db2.gz WJXZLDFHZQAAQO-UHFFFAOYSA-N 1 2 288.782 3.637 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(OC(C)C)cc2)[nH+]c1C ZINC000901437075 1129925458 /nfs/dbraw/zinc/92/54/58/1129925458.db2.gz BCPQHLKGZOLBFE-MDZDMXLPSA-N 1 2 284.359 3.710 20 30 CHEDLO CCCOc1ccc(C(=O)/C=C\c2c[nH+]cn2CC)cc1 ZINC000901436917 1129925716 /nfs/dbraw/zinc/92/57/16/1129925716.db2.gz CJPZKOXXIHEXCX-YFHOEESVSA-N 1 2 284.359 3.588 20 30 CHEDLO COc1cc(C)ccc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901452739 1129926684 /nfs/dbraw/zinc/92/66/84/1129926684.db2.gz ZOQJYFKJMGXOSF-VURMDHGXSA-N 1 2 284.359 3.677 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901476399 1129928486 /nfs/dbraw/zinc/92/84/86/1129928486.db2.gz BSLUXVZPBWWEHE-SREVYHEPSA-N 1 2 299.330 3.577 20 30 CHEDLO Cc1ccc2c(c1)OCC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901484958 1129929481 /nfs/dbraw/zinc/92/94/81/1129929481.db2.gz ARFJMDXBIZQZCT-NTEUORMPSA-N 1 2 296.370 3.821 20 30 CHEDLO Cc1[nH]c(/C=C2\CCc3ccc(C)cc3C2=O)[nH+]c1C ZINC000901486472 1129929646 /nfs/dbraw/zinc/92/96/46/1129929646.db2.gz IZPSVNMLYRYOBO-NTEUORMPSA-N 1 2 266.344 3.547 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000901488466 1129930197 /nfs/dbraw/zinc/93/01/97/1129930197.db2.gz DHUCBNDCFAGTLI-FLIBITNWSA-N 1 2 298.386 3.976 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccccc2[C@@H]1C(C)C ZINC000901500913 1129932140 /nfs/dbraw/zinc/93/21/40/1129932140.db2.gz UTQWPGIZHJRQDN-NDCSFFLDSA-N 1 2 280.371 3.923 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/CCc2ccc(SC)cc2C1=O ZINC000901522557 1129933525 /nfs/dbraw/zinc/93/35/25/1129933525.db2.gz HOYJKHAJPMMNBZ-JYRVWZFOSA-N 1 2 298.411 3.837 20 30 CHEDLO C#CC[N@@H+](Cc1ccncc1Cl)[C@@H]1CCc2ccccc21 ZINC000746503388 1129946789 /nfs/dbraw/zinc/94/67/89/1129946789.db2.gz RERDITMAYXEEDA-GOSISDBHSA-N 1 2 296.801 3.858 20 30 CHEDLO C#CC[N@H+](Cc1ccncc1Cl)[C@@H]1CCc2ccccc21 ZINC000746503388 1129946792 /nfs/dbraw/zinc/94/67/92/1129946792.db2.gz RERDITMAYXEEDA-GOSISDBHSA-N 1 2 296.801 3.858 20 30 CHEDLO C=C(Br)C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000771463153 1129980375 /nfs/dbraw/zinc/98/03/75/1129980375.db2.gz JBHVIEXKXBGVHI-UHFFFAOYSA-N 1 2 292.220 3.993 20 30 CHEDLO C=C(Br)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000771463153 1129980377 /nfs/dbraw/zinc/98/03/77/1129980377.db2.gz JBHVIEXKXBGVHI-UHFFFAOYSA-N 1 2 292.220 3.993 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCCc1ccccn1 ZINC000771837189 1129990406 /nfs/dbraw/zinc/99/04/06/1129990406.db2.gz VDGRZWPHLNQYDC-XSFVSMFZSA-N 1 2 290.366 3.992 20 30 CHEDLO C=CCCC[N@@H+](CC)Cn1nc(C2CC2)n(CC)c1=S ZINC000902669015 1130036276 /nfs/dbraw/zinc/03/62/76/1130036276.db2.gz HJGBPJZOTJKMJO-UHFFFAOYSA-N 1 2 294.468 3.557 20 30 CHEDLO C=CCCC[N@H+](CC)Cn1nc(C2CC2)n(CC)c1=S ZINC000902669015 1130036283 /nfs/dbraw/zinc/03/62/83/1130036283.db2.gz HJGBPJZOTJKMJO-UHFFFAOYSA-N 1 2 294.468 3.557 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000786177467 1130082664 /nfs/dbraw/zinc/08/26/64/1130082664.db2.gz DHTCTRLODAECEQ-ZDUSSCGKSA-N 1 2 274.191 3.712 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000786177467 1130082671 /nfs/dbraw/zinc/08/26/71/1130082671.db2.gz DHTCTRLODAECEQ-ZDUSSCGKSA-N 1 2 274.191 3.712 20 30 CHEDLO CC[C@H]([NH2+]CC(F)(F)CC)c1cccc(C#N)c1 ZINC000903070816 1130108737 /nfs/dbraw/zinc/10/87/37/1130108737.db2.gz XPMZRWMGIVTGQF-ZDUSSCGKSA-N 1 2 252.308 3.644 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1occc1Br ZINC000787311089 1130146751 /nfs/dbraw/zinc/14/67/51/1130146751.db2.gz RJQMGPDRYQVHOE-SNVBAGLBSA-N 1 2 270.170 3.583 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1occc1Br ZINC000787311089 1130146754 /nfs/dbraw/zinc/14/67/54/1130146754.db2.gz RJQMGPDRYQVHOE-SNVBAGLBSA-N 1 2 270.170 3.583 20 30 CHEDLO C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000903340514 1130162484 /nfs/dbraw/zinc/16/24/84/1130162484.db2.gz ITOKYCOBWOWZQS-NEPJUHHUSA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000903340517 1130162590 /nfs/dbraw/zinc/16/25/90/1130162590.db2.gz ITOKYCOBWOWZQS-VXGBXAGGSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)on2)c1 ZINC000788642018 1130199194 /nfs/dbraw/zinc/19/91/94/1130199194.db2.gz GQYZPQJBAXYRBS-UKRRQHHQSA-N 1 2 299.374 3.515 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4cc(F)ccc4C3=O)n21 ZINC000749006355 1130257370 /nfs/dbraw/zinc/25/73/70/1130257370.db2.gz UBSGWKZLAIFECG-LCYFTJDESA-N 1 2 292.313 3.604 20 30 CHEDLO CCC#C[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000677047493 1130282663 /nfs/dbraw/zinc/28/26/63/1130282663.db2.gz CDNDGZCBINEGJE-LBPRGKRZSA-N 1 2 258.390 3.530 20 30 CHEDLO CCC#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000677047493 1130282667 /nfs/dbraw/zinc/28/26/67/1130282667.db2.gz CDNDGZCBINEGJE-LBPRGKRZSA-N 1 2 258.390 3.530 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC001137282135 1130286378 /nfs/dbraw/zinc/28/63/78/1130286378.db2.gz DIFGFSZWPXJYPO-UHFFFAOYSA-N 1 2 267.376 3.751 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC001137282135 1130286384 /nfs/dbraw/zinc/28/63/84/1130286384.db2.gz DIFGFSZWPXJYPO-UHFFFAOYSA-N 1 2 267.376 3.751 20 30 CHEDLO N#CCC1C[NH+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000826990292 1130330792 /nfs/dbraw/zinc/33/07/92/1130330792.db2.gz DBWKMKGFTHJEBG-UHFFFAOYSA-N 1 2 286.322 3.644 20 30 CHEDLO C=CC[N@H+](Cc1nc2c(s1)CCC2)Cc1ccccc1 ZINC000678815715 1130460352 /nfs/dbraw/zinc/46/03/52/1130460352.db2.gz LSAOJVOLYGIUTR-UHFFFAOYSA-N 1 2 284.428 3.820 20 30 CHEDLO C=CC[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccccc1 ZINC000678815715 1130460355 /nfs/dbraw/zinc/46/03/55/1130460355.db2.gz LSAOJVOLYGIUTR-UHFFFAOYSA-N 1 2 284.428 3.820 20 30 CHEDLO CC[C@H](C)CON=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000793146008 1130525017 /nfs/dbraw/zinc/52/50/17/1130525017.db2.gz NVDWRODLRPMDOR-ZDUSSCGKSA-N 1 2 271.364 3.659 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(CC)o1)c1ccc(Cl)cc1 ZINC000811517452 1130615578 /nfs/dbraw/zinc/61/55/78/1130615578.db2.gz SWGNYZMLIOWQDS-INIZCTEOSA-N 1 2 273.763 3.960 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC000781327423 1130714966 /nfs/dbraw/zinc/71/49/66/1130714966.db2.gz GMGZAZAUPMIFCT-JTQLQIEISA-N 1 2 288.338 3.890 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC000781327423 1130714970 /nfs/dbraw/zinc/71/49/70/1130714970.db2.gz GMGZAZAUPMIFCT-JTQLQIEISA-N 1 2 288.338 3.890 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000812792603 1130715515 /nfs/dbraw/zinc/71/55/15/1130715515.db2.gz FBQXPDPUDAWSAK-OAHLLOKOSA-N 1 2 289.737 3.649 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001235187306 1130721647 /nfs/dbraw/zinc/72/16/47/1130721647.db2.gz WIEPLSOMKIDMAV-LLVKDONJSA-N 1 2 274.414 3.822 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc2cccc(F)c2[nH]1 ZINC001235247625 1130727054 /nfs/dbraw/zinc/72/70/54/1130727054.db2.gz PYWPQJPTUPRHEA-UHFFFAOYSA-N 1 2 273.355 3.823 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc2cccc(F)c2[nH]1 ZINC001235247625 1130727058 /nfs/dbraw/zinc/72/70/58/1130727058.db2.gz PYWPQJPTUPRHEA-UHFFFAOYSA-N 1 2 273.355 3.823 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000783695974 1130847874 /nfs/dbraw/zinc/84/78/74/1130847874.db2.gz CRYWGWQAHLTEOZ-WAYWQWQTSA-N 1 2 298.342 3.969 20 30 CHEDLO Cc1ccc(C)c(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783809926 1130856627 /nfs/dbraw/zinc/85/66/27/1130856627.db2.gz HSXZJXHRPSKBKJ-UHFFFAOYSA-N 1 2 296.399 3.997 20 30 CHEDLO CC(C)[C@@H](C#N)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236314574 1130911932 /nfs/dbraw/zinc/91/19/32/1130911932.db2.gz CCZFKVFRACHMFN-OAHLLOKOSA-N 1 2 251.333 3.594 20 30 CHEDLO CCC(=[NH+]Nc1ccnc(F)c1)c1ccc(Cl)c(N)c1 ZINC000814901939 1130932979 /nfs/dbraw/zinc/93/29/79/1130932979.db2.gz BVYRDFFAZDDCKK-UHFFFAOYSA-N 1 2 292.745 3.683 20 30 CHEDLO FC(F)(F)CCO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814909804 1130934494 /nfs/dbraw/zinc/93/44/94/1130934494.db2.gz KYCYHZFRLQJCAM-SECBINFHSA-N 1 2 284.281 3.663 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)nc1C(F)(F)F ZINC000797602500 1130997899 /nfs/dbraw/zinc/99/78/99/1130997899.db2.gz RRXDBNGDOLAMSM-VIFPVBQESA-N 1 2 291.704 3.536 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000797785065 1131001457 /nfs/dbraw/zinc/00/14/57/1131001457.db2.gz SLGSOHSGDUZPGA-OAPRFOFOSA-N 1 2 295.382 3.946 20 30 CHEDLO CN1CCCc2cc(C=[NH+]Nc3ccccc3F)ccc21 ZINC000748032696 1131027086 /nfs/dbraw/zinc/02/70/86/1131027086.db2.gz BCXWIRYOZCKYAO-UHFFFAOYSA-N 1 2 283.350 3.654 20 30 CHEDLO N#CCC[N@H+](Cc1cnc(-c2ccccc2)o1)C1CCCC1 ZINC001237374432 1131091699 /nfs/dbraw/zinc/09/16/99/1131091699.db2.gz RUJXYJUHRZSAGI-UHFFFAOYSA-N 1 2 295.386 4.000 20 30 CHEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccc2)o1)C1CCCC1 ZINC001237374432 1131091705 /nfs/dbraw/zinc/09/17/05/1131091705.db2.gz RUJXYJUHRZSAGI-UHFFFAOYSA-N 1 2 295.386 4.000 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530019 1131110321 /nfs/dbraw/zinc/11/03/21/1131110321.db2.gz LQZSTBIGCSJXGH-GFCCVEGCSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530019 1131110322 /nfs/dbraw/zinc/11/03/22/1131110322.db2.gz LQZSTBIGCSJXGH-GFCCVEGCSA-N 1 2 298.336 3.783 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cc(F)c(O)c(Cl)c1 ZINC001237998183 1131159993 /nfs/dbraw/zinc/15/99/93/1131159993.db2.gz RIOHSZHWUPNYCT-UHFFFAOYSA-N 1 2 257.736 3.583 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cc(F)c(O)c(Cl)c1 ZINC001237998183 1131159995 /nfs/dbraw/zinc/15/99/95/1131159995.db2.gz RIOHSZHWUPNYCT-UHFFFAOYSA-N 1 2 257.736 3.583 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](F)C2)c(Cl)c1 ZINC001238080140 1131168424 /nfs/dbraw/zinc/16/84/24/1131168424.db2.gz MOQZHMHBXQNQGW-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(Cl)c1 ZINC001238080140 1131168429 /nfs/dbraw/zinc/16/84/29/1131168429.db2.gz MOQZHMHBXQNQGW-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCc3sccc3C2)ccc1Cl ZINC001238189382 1131178553 /nfs/dbraw/zinc/17/85/53/1131178553.db2.gz QBQXGRDVIMBWAJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCc3sccc3C2)ccc1Cl ZINC001238189382 1131178556 /nfs/dbraw/zinc/17/85/56/1131178556.db2.gz QBQXGRDVIMBWAJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)C(F)(F)F)c(O)c1 ZINC000818991508 1131224523 /nfs/dbraw/zinc/22/45/23/1131224523.db2.gz FZPSARNAHOLRSE-PQQLAPNWSA-N 1 2 288.313 3.608 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1F ZINC001137938839 1131439185 /nfs/dbraw/zinc/43/91/85/1131439185.db2.gz WOKJKDZTICCFQI-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1F ZINC001137938839 1131439186 /nfs/dbraw/zinc/43/91/86/1131439186.db2.gz WOKJKDZTICCFQI-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO CCCC[N@H+](CC#N)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171050519 1131459164 /nfs/dbraw/zinc/45/91/64/1131459164.db2.gz RWJQWGDWOYDGIN-AWEZNQCLSA-N 1 2 276.811 3.823 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171050519 1131459166 /nfs/dbraw/zinc/45/91/66/1131459166.db2.gz RWJQWGDWOYDGIN-AWEZNQCLSA-N 1 2 276.811 3.823 20 30 CHEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001138661898 1131533596 /nfs/dbraw/zinc/53/35/96/1131533596.db2.gz ILHCCEKKLKYNAM-SJORKVTESA-N 1 2 295.373 3.914 20 30 CHEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001138661898 1131533599 /nfs/dbraw/zinc/53/35/99/1131533599.db2.gz ILHCCEKKLKYNAM-SJORKVTESA-N 1 2 295.373 3.914 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138688832 1131538593 /nfs/dbraw/zinc/53/85/93/1131538593.db2.gz KDIMVGPPKFUVIF-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138688832 1131538595 /nfs/dbraw/zinc/53/85/95/1131538595.db2.gz KDIMVGPPKFUVIF-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO CCCCc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)s1 ZINC001138756727 1131547886 /nfs/dbraw/zinc/54/78/86/1131547886.db2.gz JDHCYXRTBKIHEP-ZDUSSCGKSA-N 1 2 262.422 3.826 20 30 CHEDLO CCCCc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)s1 ZINC001138756727 1131547889 /nfs/dbraw/zinc/54/78/89/1131547889.db2.gz JDHCYXRTBKIHEP-ZDUSSCGKSA-N 1 2 262.422 3.826 20 30 CHEDLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143897934 1131549075 /nfs/dbraw/zinc/54/90/75/1131549075.db2.gz JSFAEPSATXQBAG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143897934 1131549078 /nfs/dbraw/zinc/54/90/78/1131549078.db2.gz JSFAEPSATXQBAG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(C#N)cn1)C1CCCCCCC1 ZINC001144160920 1131593362 /nfs/dbraw/zinc/59/33/62/1131593362.db2.gz YOPFBZVRVGSEOM-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(C#N)cn1)C1CCCCCCC1 ZINC001144160920 1131593365 /nfs/dbraw/zinc/59/33/65/1131593365.db2.gz YOPFBZVRVGSEOM-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO Cc1nc2cc(C)ccn2c1C[N@H+](CCC#N)C1CCCC1 ZINC001139681058 1131627760 /nfs/dbraw/zinc/62/77/60/1131627760.db2.gz STCRZWSREZRJFT-UHFFFAOYSA-N 1 2 296.418 3.609 20 30 CHEDLO Cc1nc2cc(C)ccn2c1C[N@@H+](CCC#N)C1CCCC1 ZINC001139681058 1131627763 /nfs/dbraw/zinc/62/77/63/1131627763.db2.gz STCRZWSREZRJFT-UHFFFAOYSA-N 1 2 296.418 3.609 20 30 CHEDLO CC[N@H+](Cc1cccnc1)Cc1cccc(Cl)c1C#N ZINC001139691543 1131628974 /nfs/dbraw/zinc/62/89/74/1131628974.db2.gz YPEVVOQOUOQDHZ-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccnc1)Cc1cccc(Cl)c1C#N ZINC001139691543 1131628977 /nfs/dbraw/zinc/62/89/77/1131628977.db2.gz YPEVVOQOUOQDHZ-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1C#N ZINC001139728704 1131633208 /nfs/dbraw/zinc/63/32/08/1131633208.db2.gz GFGIOGKAXUURDE-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1C#N ZINC001139728704 1131633212 /nfs/dbraw/zinc/63/32/12/1131633212.db2.gz GFGIOGKAXUURDE-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CC(C)c1ccccc1CNc1cc(CC#N)cc[nH+]1 ZINC000846775562 1131737646 /nfs/dbraw/zinc/73/76/46/1131737646.db2.gz QAOZIIPOKSADQV-UHFFFAOYSA-N 1 2 265.360 3.883 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1cnc(C#N)c(F)c1 ZINC001203055688 1131853026 /nfs/dbraw/zinc/85/30/26/1131853026.db2.gz SFIDJWDIURJSPU-UHFFFAOYSA-N 1 2 270.311 3.663 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](C#N)c3ccccc3F)cc2[nH+]1 ZINC001228329948 1131858983 /nfs/dbraw/zinc/85/89/83/1131858983.db2.gz SSAFHXMDCFDWHH-INIZCTEOSA-N 1 2 281.290 3.654 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(N(C)C)c[nH+]1 ZINC001171373420 1131925186 /nfs/dbraw/zinc/92/51/86/1131925186.db2.gz HEMALCDPLVBUQO-AWEZNQCLSA-N 1 2 297.402 3.886 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCc3sccc3C2)c1Cl ZINC001140812077 1131931967 /nfs/dbraw/zinc/93/19/67/1131931967.db2.gz LKEDACGMDYEIQJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCc3sccc3C2)c1Cl ZINC001140812077 1131931971 /nfs/dbraw/zinc/93/19/71/1131931971.db2.gz LKEDACGMDYEIQJ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO Cc1nccnc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001140937667 1131967317 /nfs/dbraw/zinc/96/73/17/1131967317.db2.gz SQZSMYJXXLHJPQ-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1nccnc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001140937667 1131967322 /nfs/dbraw/zinc/96/73/22/1131967322.db2.gz SQZSMYJXXLHJPQ-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001140964112 1131975493 /nfs/dbraw/zinc/97/54/93/1131975493.db2.gz QPNLXDLJDNQHNL-LBPRGKRZSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001140964112 1131975501 /nfs/dbraw/zinc/97/55/01/1131975501.db2.gz QPNLXDLJDNQHNL-LBPRGKRZSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1ccc(CC[C@H](C)[NH2+][C@@](C)(C#N)C(C)C)cc1 ZINC001171658219 1132068280 /nfs/dbraw/zinc/06/82/80/1132068280.db2.gz PQECARUUXNLXFF-RDJZCZTQSA-N 1 2 258.409 3.844 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1F ZINC001171848105 1132106620 /nfs/dbraw/zinc/10/66/20/1132106620.db2.gz YUQTUSZPFGKJTG-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1F ZINC001171848105 1132106623 /nfs/dbraw/zinc/10/66/23/1132106623.db2.gz YUQTUSZPFGKJTG-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCCC(F)(F)C1 ZINC001172309659 1132154784 /nfs/dbraw/zinc/15/47/84/1132154784.db2.gz VMIWXCOGFSOGNN-ZDUSSCGKSA-N 1 2 278.346 3.610 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCCC(F)(F)C1 ZINC001172309659 1132154787 /nfs/dbraw/zinc/15/47/87/1132154787.db2.gz VMIWXCOGFSOGNN-ZDUSSCGKSA-N 1 2 278.346 3.610 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001172314594 1132155954 /nfs/dbraw/zinc/15/59/54/1132155954.db2.gz KSHFULBPGCLKHL-DOMZBBRYSA-N 1 2 296.336 3.558 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001172314594 1132155959 /nfs/dbraw/zinc/15/59/59/1132155959.db2.gz KSHFULBPGCLKHL-DOMZBBRYSA-N 1 2 296.336 3.558 20 30 CHEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001172354851 1132184581 /nfs/dbraw/zinc/18/45/81/1132184581.db2.gz KXHUDWSKXXIPDG-KGLIPLIRSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001172354851 1132184583 /nfs/dbraw/zinc/18/45/83/1132184583.db2.gz KXHUDWSKXXIPDG-KGLIPLIRSA-N 1 2 257.393 3.738 20 30 CHEDLO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@H]([C@H](C)CC)C1 ZINC000839528827 1132222120 /nfs/dbraw/zinc/22/21/20/1132222120.db2.gz RKDRHUNBRDLKBG-RISCZKNCSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@H]([C@H](C)CC)C1 ZINC000839528827 1132222124 /nfs/dbraw/zinc/22/21/24/1132222124.db2.gz RKDRHUNBRDLKBG-RISCZKNCSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)c1ccccc1 ZINC001230921977 1132229632 /nfs/dbraw/zinc/22/96/32/1132229632.db2.gz WJCSEZITQPNUSX-QGZVFWFLSA-N 1 2 279.339 3.673 20 30 CHEDLO C=C(C)C[N@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000840040557 1132245705 /nfs/dbraw/zinc/24/57/05/1132245705.db2.gz GBCYCVMAGIITPO-QGZVFWFLSA-N 1 2 298.430 3.596 20 30 CHEDLO C=C(C)C[N@@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000840040557 1132245711 /nfs/dbraw/zinc/24/57/11/1132245711.db2.gz GBCYCVMAGIITPO-QGZVFWFLSA-N 1 2 298.430 3.596 20 30 CHEDLO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172500607 1132249339 /nfs/dbraw/zinc/24/93/39/1132249339.db2.gz AXKAOTUASWOTBO-KKUMJFAQSA-N 1 2 267.413 3.515 20 30 CHEDLO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172500607 1132249350 /nfs/dbraw/zinc/24/93/50/1132249350.db2.gz AXKAOTUASWOTBO-KKUMJFAQSA-N 1 2 267.413 3.515 20 30 CHEDLO Cn1c[nH+]cc1-c1ccc(OC2CCC(C#N)CC2)cc1 ZINC001231081767 1132252902 /nfs/dbraw/zinc/25/29/02/1132252902.db2.gz LUBRJQXEPURZRS-UHFFFAOYSA-N 1 2 281.359 3.548 20 30 CHEDLO C[C@@H]1C[C@H](C/[NH+]=C\c2c(O)ccc3ccccc32)[C@@H](C)O1 ZINC000840712801 1132274446 /nfs/dbraw/zinc/27/44/46/1132274446.db2.gz MEFITFGWQZRWDX-GOEHEWSTSA-N 1 2 283.371 3.778 20 30 CHEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@H](C#N)C1 ZINC001172579071 1132283485 /nfs/dbraw/zinc/28/34/85/1132283485.db2.gz VICVNSOIXAGNJE-WDEREUQCSA-N 1 2 298.764 3.785 20 30 CHEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@H](C#N)C1 ZINC001172579071 1132283489 /nfs/dbraw/zinc/28/34/89/1132283489.db2.gz VICVNSOIXAGNJE-WDEREUQCSA-N 1 2 298.764 3.785 20 30 CHEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172579069 1132284277 /nfs/dbraw/zinc/28/42/77/1132284277.db2.gz VICVNSOIXAGNJE-QWRGUYRKSA-N 1 2 298.764 3.785 20 30 CHEDLO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@@H](C#N)C1 ZINC001172579069 1132284281 /nfs/dbraw/zinc/28/42/81/1132284281.db2.gz VICVNSOIXAGNJE-QWRGUYRKSA-N 1 2 298.764 3.785 20 30 CHEDLO N#Cc1ccsc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693136 1132363280 /nfs/dbraw/zinc/36/32/80/1132363280.db2.gz FEFJZTLGDQSROC-UHFFFAOYSA-N 1 2 280.356 3.608 20 30 CHEDLO N#Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001212696789 1132372376 /nfs/dbraw/zinc/37/23/76/1132372376.db2.gz LYNHYOBQQZHMPL-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232482285 1132477211 /nfs/dbraw/zinc/47/72/11/1132477211.db2.gz UPGDZRDLRIUHGD-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232482285 1132477215 /nfs/dbraw/zinc/47/72/15/1132477215.db2.gz UPGDZRDLRIUHGD-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(Cl)cc1OC ZINC001232500413 1132481271 /nfs/dbraw/zinc/48/12/71/1132481271.db2.gz XQPWHLWRRLKTNB-UHFFFAOYSA-N 1 2 280.799 3.864 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1OC ZINC001232500413 1132481273 /nfs/dbraw/zinc/48/12/73/1132481273.db2.gz XQPWHLWRRLKTNB-UHFFFAOYSA-N 1 2 280.799 3.864 20 30 CHEDLO CC[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1C#N ZINC001232609167 1132490878 /nfs/dbraw/zinc/49/08/78/1132490878.db2.gz OGWMPAZNICDRAQ-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1C#N ZINC001232609167 1132490883 /nfs/dbraw/zinc/49/08/83/1132490883.db2.gz OGWMPAZNICDRAQ-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001232674058 1132506000 /nfs/dbraw/zinc/50/60/00/1132506000.db2.gz RFRUVRSMDOESBJ-GOSISDBHSA-N 1 2 292.382 3.991 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001232674058 1132506005 /nfs/dbraw/zinc/50/60/05/1132506005.db2.gz RFRUVRSMDOESBJ-GOSISDBHSA-N 1 2 292.382 3.991 20 30 CHEDLO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(C#N)ccc1O ZINC001232677479 1132506239 /nfs/dbraw/zinc/50/62/39/1132506239.db2.gz DKTXGFJWCXBHLI-UHFFFAOYSA-N 1 2 280.371 3.594 20 30 CHEDLO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(C#N)ccc1O ZINC001232677479 1132506244 /nfs/dbraw/zinc/50/62/44/1132506244.db2.gz DKTXGFJWCXBHLI-UHFFFAOYSA-N 1 2 280.371 3.594 20 30 CHEDLO C[C@H](C#N)[N@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173691158 1132511591 /nfs/dbraw/zinc/51/15/91/1132511591.db2.gz HCRUSJZABYVPCI-MXWWQKGMSA-N 1 2 268.404 3.657 20 30 CHEDLO C[C@H](C#N)[N@@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173691158 1132511594 /nfs/dbraw/zinc/51/15/94/1132511594.db2.gz HCRUSJZABYVPCI-MXWWQKGMSA-N 1 2 268.404 3.657 20 30 CHEDLO C[N@H+](Cc1c(F)ccc(C#N)c1F)[C@@H]1CCc2ccccc21 ZINC001143178226 1132514774 /nfs/dbraw/zinc/51/47/74/1132514774.db2.gz ABIHRZCRYNIEGG-QGZVFWFLSA-N 1 2 298.336 3.956 20 30 CHEDLO C[N@@H+](Cc1c(F)ccc(C#N)c1F)[C@@H]1CCc2ccccc21 ZINC001143178226 1132514784 /nfs/dbraw/zinc/51/47/84/1132514784.db2.gz ABIHRZCRYNIEGG-QGZVFWFLSA-N 1 2 298.336 3.956 20 30 CHEDLO N#Cc1cc[nH]c1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001233045236 1132565450 /nfs/dbraw/zinc/56/54/50/1132565450.db2.gz CMJNJOVJHIKVBS-UHFFFAOYSA-N 1 2 297.789 3.829 20 30 CHEDLO N#Cc1cc[nH]c1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001233045236 1132565452 /nfs/dbraw/zinc/56/54/52/1132565452.db2.gz CMJNJOVJHIKVBS-UHFFFAOYSA-N 1 2 297.789 3.829 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001233178356 1132579105 /nfs/dbraw/zinc/57/91/05/1132579105.db2.gz LEFSKZJNKUDMPD-SNVBAGLBSA-N 1 2 288.338 3.893 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001233178356 1132579110 /nfs/dbraw/zinc/57/91/10/1132579110.db2.gz LEFSKZJNKUDMPD-SNVBAGLBSA-N 1 2 288.338 3.893 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001233481502 1132627396 /nfs/dbraw/zinc/62/73/96/1132627396.db2.gz QHVCVVXPPJUWMS-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccsc2Br)CC1 ZINC001233481502 1132627401 /nfs/dbraw/zinc/62/74/01/1132627401.db2.gz QHVCVVXPPJUWMS-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#Cc1ccccc1CNc1cc2ccccc2c[nH+]1 ZINC001156785792 1132710486 /nfs/dbraw/zinc/71/04/86/1132710486.db2.gz HMVNPHHBRCPXCL-UHFFFAOYSA-N 1 2 259.312 3.719 20 30 CHEDLO COc1ccc2ccc(N[C@H]3CC[C@H](C#N)CC3)[nH+]c2c1 ZINC001157055670 1132720394 /nfs/dbraw/zinc/72/03/94/1132720394.db2.gz OSYLSAHXMIVCIW-MQMHXKEQSA-N 1 2 281.359 3.738 20 30 CHEDLO Cc1ccc(Nc2cc(C#N)c(C)cc2C)c(C)[nH+]1 ZINC001203379637 1132721652 /nfs/dbraw/zinc/72/16/52/1132721652.db2.gz DPOADSPBDNHAAZ-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO CC(C)n1ccc2c1nc[nH+]c2NC1=CC(=O)CC(C)(C)C1 ZINC001158953756 1132801639 /nfs/dbraw/zinc/80/16/39/1132801639.db2.gz OSQKXDRIONDXNZ-UHFFFAOYSA-N 1 2 298.390 3.697 20 30 CHEDLO N#Cc1cc(Nc2cccn3cc[nH+]c23)ccc1Cl ZINC001174401637 1132816192 /nfs/dbraw/zinc/81/61/92/1132816192.db2.gz KRHMSVATTLBYOJ-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC001174522489 1132912522 /nfs/dbraw/zinc/91/25/22/1132912522.db2.gz OBZWBNLMTVHLQB-UHFFFAOYSA-N 1 2 284.388 3.749 20 30 CHEDLO C#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC001174524125 1132912668 /nfs/dbraw/zinc/91/26/68/1132912668.db2.gz FOUAZBYDVKWUEM-UHFFFAOYSA-N 1 2 295.361 3.936 20 30 CHEDLO N#Cc1cc(F)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522468 1132912807 /nfs/dbraw/zinc/91/28/07/1132912807.db2.gz MSYMGYRWWTXJQS-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(C(C)C)[nH+]1 ZINC001159919448 1132924948 /nfs/dbraw/zinc/92/49/48/1132924948.db2.gz XXNCQDATLCPBKR-MRXNPFEDSA-N 1 2 292.386 3.880 20 30 CHEDLO CC(C)C[C@H](Nc1cc(CC#N)cc[nH+]1)c1ccccn1 ZINC001160487726 1132972091 /nfs/dbraw/zinc/97/20/91/1132972091.db2.gz ZDWQZYFQQHWDON-INIZCTEOSA-N 1 2 280.375 3.742 20 30 CHEDLO N#CCc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1F ZINC001213034719 1133017931 /nfs/dbraw/zinc/01/79/31/1133017931.db2.gz YNHYUHRPPFAUCQ-UHFFFAOYSA-N 1 2 266.279 3.512 20 30 CHEDLO N#Cc1cc(Nc2ccc([NH2+]C3CCCCC3)cc2)ccn1 ZINC001162073789 1133050066 /nfs/dbraw/zinc/05/00/66/1133050066.db2.gz MBHDTCVMWAWHLX-UHFFFAOYSA-N 1 2 292.386 3.863 20 30 CHEDLO C#CC1(Nc2cc3ccccc3c[nH+]2)CCCCC1 ZINC001162478767 1133080583 /nfs/dbraw/zinc/08/05/83/1133080583.db2.gz VKOQTUKAGHNBFQ-UHFFFAOYSA-N 1 2 250.345 3.983 20 30 CHEDLO C=CC[C@@H](Nc1cc(COC)cc[nH+]1)c1ccccc1 ZINC001162905434 1133120111 /nfs/dbraw/zinc/12/01/11/1133120111.db2.gz BGNZJQHXXGXASR-MRXNPFEDSA-N 1 2 268.360 3.957 20 30 CHEDLO N#CCc1cc[nH+]c(N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001166563668 1133271513 /nfs/dbraw/zinc/27/15/13/1133271513.db2.gz HYNJLNKWVNRIRJ-GOSISDBHSA-N 1 2 291.398 3.607 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C#N)c(F)c1 ZINC001204059676 1133404944 /nfs/dbraw/zinc/40/49/44/1133404944.db2.gz SOIIZPRAOXYEPF-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CCO2 ZINC001204489749 1133453627 /nfs/dbraw/zinc/45/36/27/1133453627.db2.gz TVTZNWQGQXKAAD-UHFFFAOYSA-N 1 2 292.382 3.537 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CCO2 ZINC001204489749 1133453629 /nfs/dbraw/zinc/45/36/29/1133453629.db2.gz TVTZNWQGQXKAAD-UHFFFAOYSA-N 1 2 292.382 3.537 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711112 1133477685 /nfs/dbraw/zinc/47/76/85/1133477685.db2.gz SQRNISIIVVFFQE-GFCCVEGCSA-N 1 2 286.762 3.945 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711112 1133477688 /nfs/dbraw/zinc/47/76/88/1133477688.db2.gz SQRNISIIVVFFQE-GFCCVEGCSA-N 1 2 286.762 3.945 20 30 CHEDLO N#Cc1c(Cl)cccc1Nc1ccn2cc[nH+]c2c1 ZINC001204990989 1133514073 /nfs/dbraw/zinc/51/40/73/1133514073.db2.gz JXJOKPMQNUXBHX-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO Cc1ccc(C)c(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001205006154 1133516187 /nfs/dbraw/zinc/51/61/87/1133516187.db2.gz UHXCRDVDYBXQMK-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001207117823 1133768303 /nfs/dbraw/zinc/76/83/03/1133768303.db2.gz COPFDHUSBPJSJF-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001207117823 1133768307 /nfs/dbraw/zinc/76/83/07/1133768307.db2.gz COPFDHUSBPJSJF-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO Cc1ccc([C@H](C)CC[N@H+](CCC#N)Cc2cccnc2)o1 ZINC001208153456 1133888588 /nfs/dbraw/zinc/88/85/88/1133888588.db2.gz ZRRLOFCVJFSSBZ-OAHLLOKOSA-N 1 2 297.402 3.893 20 30 CHEDLO Cc1ccc([C@H](C)CC[N@@H+](CCC#N)Cc2cccnc2)o1 ZINC001208153456 1133888593 /nfs/dbraw/zinc/88/85/93/1133888593.db2.gz ZRRLOFCVJFSSBZ-OAHLLOKOSA-N 1 2 297.402 3.893 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001208170648 1133895665 /nfs/dbraw/zinc/89/56/65/1133895665.db2.gz JHCARBCWBMRZPU-ILXRZTDVSA-N 1 2 255.352 3.671 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001208170648 1133895671 /nfs/dbraw/zinc/89/56/71/1133895671.db2.gz JHCARBCWBMRZPU-ILXRZTDVSA-N 1 2 255.352 3.671 20 30 CHEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)cc1Cl ZINC001209664942 1134048171 /nfs/dbraw/zinc/04/81/71/1134048171.db2.gz PIHZCCDCKKKDOS-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)cc1Cl ZINC001209664942 1134048177 /nfs/dbraw/zinc/04/81/77/1134048177.db2.gz PIHZCCDCKKKDOS-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(Nc2ccc([NH+](C)C)c(C)c2)ccc1C#N ZINC001210043008 1134132123 /nfs/dbraw/zinc/13/21/23/1134132123.db2.gz IKRCHZXRASLQEG-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO Cc1cc(Nc2c(C)cc(C#N)cc2C#N)ccc1[NH+](C)C ZINC001210043327 1134132321 /nfs/dbraw/zinc/13/23/21/1134132321.db2.gz LRWDGUUIOHCJQQ-UHFFFAOYSA-N 1 2 290.370 3.856 20 30 CHEDLO Cc1cc(Nc2cnc(C#N)c(Cl)c2)ccc1[NH+](C)C ZINC001210042020 1134132396 /nfs/dbraw/zinc/13/23/96/1134132396.db2.gz BMUSJQTVEJPFDR-UHFFFAOYSA-N 1 2 286.766 3.725 20 30 CHEDLO C#Cc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001210114978 1134151814 /nfs/dbraw/zinc/15/18/14/1134151814.db2.gz HSRYLLWZAFPZPB-UHFFFAOYSA-N 1 2 278.233 3.705 20 30 CHEDLO N#Cc1ccc(F)cc1Nc1cccc2cc[nH+]cc21 ZINC001210231955 1134173605 /nfs/dbraw/zinc/17/36/05/1134173605.db2.gz WIVWJJGLPDYMEP-UHFFFAOYSA-N 1 2 263.275 3.989 20 30 CHEDLO CCOc1cc(Nc2ccc(C#N)cc2C)cc(C)[nH+]1 ZINC001210375180 1134201896 /nfs/dbraw/zinc/20/18/96/1134201896.db2.gz NSYXDXVWMZIUDX-UHFFFAOYSA-N 1 2 267.332 3.712 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1cc(Cl)cc(C#N)c1 ZINC001210537240 1134241809 /nfs/dbraw/zinc/24/18/09/1134241809.db2.gz WLAZYJJOSWJGMQ-UHFFFAOYSA-N 1 2 273.723 3.749 20 30 CHEDLO C#Cc1cc(Nc2c(C)cc(C3CC3)cc2F)cc[nH+]1 ZINC001213464148 1134451228 /nfs/dbraw/zinc/45/12/28/1134451228.db2.gz BDBROQPPSBQSFA-UHFFFAOYSA-N 1 2 266.319 3.553 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(F)c(C#N)c2F)c1C ZINC001213536918 1134462415 /nfs/dbraw/zinc/46/24/15/1134462415.db2.gz SBJPQGXVOSGUMH-UHFFFAOYSA-N 1 2 277.249 3.731 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(C)cc2C#N)c1C ZINC001213536263 1134462507 /nfs/dbraw/zinc/46/25/07/1134462507.db2.gz FIGRKUQNZIIRGJ-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO N#Cc1ccc(Nc2cccc3[nH+]ccn32)c(Cl)c1 ZINC001213989778 1134504056 /nfs/dbraw/zinc/50/40/56/1134504056.db2.gz MQMVCKUREGUBQY-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO C#C[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001219010094 1135125165 /nfs/dbraw/zinc/12/51/65/1135125165.db2.gz ZRWFOCCSYGKRQB-INIZCTEOSA-N 1 2 293.370 3.503 20 30 CHEDLO C=C[C@H](CCCCCCC)OCc1c[nH+]cn1C ZINC001222599417 1135253597 /nfs/dbraw/zinc/25/35/97/1135253597.db2.gz AXFKBFCTPMQTJR-OAHLLOKOSA-N 1 2 250.386 3.852 20 30 CHEDLO Cc1cc(-c2c(C)cc(C#N)cc2C)c2[nH+]ccn2c1 ZINC001222656960 1135261235 /nfs/dbraw/zinc/26/12/35/1135261235.db2.gz DAMQMNFSMKRNTM-UHFFFAOYSA-N 1 2 261.328 3.798 20 30 CHEDLO CCOC(=[NH2+])CCCCO[C@@H](CC#N)c1ccccc1 ZINC001224965212 1135497149 /nfs/dbraw/zinc/49/71/49/1135497149.db2.gz GYOIKIRPKCKSSH-HNNXBMFYSA-N 1 2 274.364 3.842 20 30 CHEDLO CCc1[nH+]c(C)ccc1OCc1ccc(F)cc1C#N ZINC000352553585 529730603 /nfs/dbraw/zinc/73/06/03/529730603.db2.gz LLALTKVGQUFVES-UHFFFAOYSA-N 1 2 270.307 3.542 20 30 CHEDLO Cc1cc2ccccc2[nH+]c1NCC(C)(C)CCC#N ZINC000563908977 541304641 /nfs/dbraw/zinc/30/46/41/541304641.db2.gz DIOGMOOIUYECFI-UHFFFAOYSA-N 1 2 267.376 3.707 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(Cl)c1 ZINC000352855676 533469197 /nfs/dbraw/zinc/46/91/97/533469197.db2.gz UTYCTHAESSWFBI-MRVPVSSYSA-N 1 2 295.770 3.658 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCc1c[nH]c2ccccc12 ZINC000005287769 170083368 /nfs/dbraw/zinc/08/33/68/170083368.db2.gz DODLZXFDTNUAMY-WOJGMQOQSA-N 1 2 264.328 3.535 20 30 CHEDLO N#Cc1ccccc1OCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000347442583 226158297 /nfs/dbraw/zinc/15/82/97/226158297.db2.gz HNPMPZZSTWSZCB-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO N#Cc1ccccc1OCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000347442583 226158299 /nfs/dbraw/zinc/15/82/99/226158299.db2.gz HNPMPZZSTWSZCB-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)CC12CCC(CC1)C2 ZINC000347734854 226233693 /nfs/dbraw/zinc/23/36/93/226233693.db2.gz IKQPGYDQIHLQFK-UHFFFAOYSA-N 1 2 258.365 3.576 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)CC12CCC(CC1)C2 ZINC000347734854 226233695 /nfs/dbraw/zinc/23/36/95/226233695.db2.gz IKQPGYDQIHLQFK-UHFFFAOYSA-N 1 2 258.365 3.576 20 30 CHEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1C#N ZINC000354857473 227173024 /nfs/dbraw/zinc/17/30/24/227173024.db2.gz ISQUEVQSZITZAI-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccccc1C#N ZINC000354857473 227173029 /nfs/dbraw/zinc/17/30/29/227173029.db2.gz ISQUEVQSZITZAI-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000354886408 227204333 /nfs/dbraw/zinc/20/43/33/227204333.db2.gz VXJSQLLDMLZQMQ-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)cc1 ZINC000354886408 227204336 /nfs/dbraw/zinc/20/43/36/227204336.db2.gz VXJSQLLDMLZQMQ-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1cccc(C#N)c1 ZINC000354887919 227205219 /nfs/dbraw/zinc/20/52/19/227205219.db2.gz XEWDSMKKZMMGNA-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1cccc(C#N)c1 ZINC000354887919 227205223 /nfs/dbraw/zinc/20/52/23/227205223.db2.gz XEWDSMKKZMMGNA-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000356081125 228113719 /nfs/dbraw/zinc/11/37/19/228113719.db2.gz FMKICYZWRKATDZ-OAHLLOKOSA-N 1 2 283.400 3.660 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000356081125 228113721 /nfs/dbraw/zinc/11/37/21/228113721.db2.gz FMKICYZWRKATDZ-OAHLLOKOSA-N 1 2 283.400 3.660 20 30 CHEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000330266551 228085597 /nfs/dbraw/zinc/08/55/97/228085597.db2.gz AFNPTGILHQHBMV-CQSZACIVSA-N 1 2 275.396 3.720 20 30 CHEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000330266551 228085599 /nfs/dbraw/zinc/08/55/99/228085599.db2.gz AFNPTGILHQHBMV-CQSZACIVSA-N 1 2 275.396 3.720 20 30 CHEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H](c2ccco2)C1 ZINC000336011904 228177751 /nfs/dbraw/zinc/17/77/51/228177751.db2.gz OTNXNJNFMWDNCO-DGCLKSJQSA-N 1 2 287.388 3.581 20 30 CHEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H](c2ccco2)C1 ZINC000336011904 228177752 /nfs/dbraw/zinc/17/77/52/228177752.db2.gz OTNXNJNFMWDNCO-DGCLKSJQSA-N 1 2 287.388 3.581 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cc(C)on1)c1ccc(F)c(F)c1 ZINC000187756409 260054906 /nfs/dbraw/zinc/05/49/06/260054906.db2.gz YGKGHCQKVYHZPY-HNNXBMFYSA-N 1 2 278.302 3.668 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000298712828 260161578 /nfs/dbraw/zinc/16/15/78/260161578.db2.gz AUBGQCSJBAFKQQ-SSDOTTSWSA-N 1 2 284.734 3.955 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(Cl)cc1Cl ZINC000037871231 260164895 /nfs/dbraw/zinc/16/48/95/260164895.db2.gz UZKBVDZGWGDRML-DTWKUNHWSA-N 1 2 257.164 3.946 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nccs1 ZINC000080266701 260179253 /nfs/dbraw/zinc/17/92/53/260179253.db2.gz LHWIZZSUKMYGTG-GFCCVEGCSA-N 1 2 274.389 3.559 20 30 CHEDLO N#CCC[N@@H+](CCCCC(F)(F)F)Cc1ccccn1 ZINC000155071767 261097679 /nfs/dbraw/zinc/09/76/79/261097679.db2.gz HYKBPVRKKMWCHZ-UHFFFAOYSA-N 1 2 285.313 3.530 20 30 CHEDLO N#CCC[N@H+](CCCCC(F)(F)F)Cc1ccccn1 ZINC000155071767 261097681 /nfs/dbraw/zinc/09/76/81/261097681.db2.gz HYKBPVRKKMWCHZ-UHFFFAOYSA-N 1 2 285.313 3.530 20 30 CHEDLO N#CCC[N@H+](CCC1CCCCC1)Cc1ccccn1 ZINC000361563340 261338161 /nfs/dbraw/zinc/33/81/61/261338161.db2.gz GDKZZXMYXMDOOE-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO N#CCC[N@@H+](CCC1CCCCC1)Cc1ccccn1 ZINC000361563340 261338165 /nfs/dbraw/zinc/33/81/65/261338165.db2.gz GDKZZXMYXMDOOE-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO CCCOc1c(C[NH2+][C@@H](CC)CC#N)cccc1OCC ZINC000184088322 262008536 /nfs/dbraw/zinc/00/85/36/262008536.db2.gz BLEOXHNYMMDXEV-HNNXBMFYSA-N 1 2 290.407 3.656 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000227521169 262391567 /nfs/dbraw/zinc/39/15/67/262391567.db2.gz OZUDAROADNQTMW-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274520827 263025210 /nfs/dbraw/zinc/02/52/10/263025210.db2.gz YWBCSSTXDRGXNE-OAHLLOKOSA-N 1 2 292.810 3.653 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274520827 263025211 /nfs/dbraw/zinc/02/52/11/263025211.db2.gz YWBCSSTXDRGXNE-OAHLLOKOSA-N 1 2 292.810 3.653 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccsc2)cc1 ZINC000277670721 263042778 /nfs/dbraw/zinc/04/27/78/263042778.db2.gz JUVALUFKKABHEQ-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccsc2)cc1 ZINC000277670721 263042779 /nfs/dbraw/zinc/04/27/79/263042779.db2.gz JUVALUFKKABHEQ-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000278875477 263051527 /nfs/dbraw/zinc/05/15/27/263051527.db2.gz XISGQNAFCPRBCC-CABCVRRESA-N 1 2 284.407 3.566 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280625909 263063355 /nfs/dbraw/zinc/06/33/55/263063355.db2.gz BZVATULDEQJXIB-OAHLLOKOSA-N 1 2 294.402 3.583 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280625909 263063356 /nfs/dbraw/zinc/06/33/56/263063356.db2.gz BZVATULDEQJXIB-OAHLLOKOSA-N 1 2 294.402 3.583 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)oc1C ZINC000281741785 263071799 /nfs/dbraw/zinc/07/17/99/263071799.db2.gz BJPNMAZUJZPYLR-ONEGZZNKSA-N 1 2 298.264 3.551 20 30 CHEDLO CCCCCCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000294836637 263167973 /nfs/dbraw/zinc/16/79/73/263167973.db2.gz RNRJSWVFOZRNBQ-AWEZNQCLSA-N 1 2 292.452 3.906 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CCCCC1(F)F ZINC000294899752 263168822 /nfs/dbraw/zinc/16/88/22/263168822.db2.gz GYEJYEQBZZUZLB-CQSZACIVSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CCCCC1(F)F ZINC000294899752 263168823 /nfs/dbraw/zinc/16/88/23/263168823.db2.gz GYEJYEQBZZUZLB-CQSZACIVSA-N 1 2 293.361 3.623 20 30 CHEDLO CC(=O)c1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000294905162 263168854 /nfs/dbraw/zinc/16/88/54/263168854.db2.gz HKVSMVFQTFVBDI-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO CC(=O)c1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000294905162 263168855 /nfs/dbraw/zinc/16/88/55/263168855.db2.gz HKVSMVFQTFVBDI-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO CCn1ccnc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000296970317 263199251 /nfs/dbraw/zinc/19/92/51/263199251.db2.gz RMQNVOIZIHGUGW-HOCLYGCPSA-N 1 2 282.391 3.599 20 30 CHEDLO CCn1ccnc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000296970314 263199283 /nfs/dbraw/zinc/19/92/83/263199283.db2.gz RMQNVOIZIHGUGW-GOEBONIOSA-N 1 2 282.391 3.599 20 30 CHEDLO C[C@H](CCC#N)[N@H+](C)Cc1c(F)cccc1Cl ZINC000297739384 263208602 /nfs/dbraw/zinc/20/86/02/263208602.db2.gz CZTXDMGPVXSTPV-SNVBAGLBSA-N 1 2 254.736 3.603 20 30 CHEDLO C[C@H](CCC#N)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000297739384 263208603 /nfs/dbraw/zinc/20/86/03/263208603.db2.gz CZTXDMGPVXSTPV-SNVBAGLBSA-N 1 2 254.736 3.603 20 30 CHEDLO C=C1CC[NH+](Cc2sccc2Br)CC1 ZINC000342000456 263375213 /nfs/dbraw/zinc/37/52/13/263375213.db2.gz KOIBZHLKZGAKCB-UHFFFAOYSA-N 1 2 272.211 3.663 20 30 CHEDLO CCC(CC)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331301516 264199770 /nfs/dbraw/zinc/19/97/70/264199770.db2.gz DZTQJMIFPQQLQA-UHFFFAOYSA-N 1 2 263.385 3.769 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Cl)s1 ZINC000425365327 264210850 /nfs/dbraw/zinc/21/08/50/264210850.db2.gz KIBKVFJBSUSGAR-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000425365327 264210852 /nfs/dbraw/zinc/21/08/52/264210852.db2.gz KIBKVFJBSUSGAR-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000130841194 264364206 /nfs/dbraw/zinc/36/42/06/264364206.db2.gz AGPJIXDLOYTPGB-SNVBAGLBSA-N 1 2 258.818 3.759 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000130841194 264364209 /nfs/dbraw/zinc/36/42/09/264364209.db2.gz AGPJIXDLOYTPGB-SNVBAGLBSA-N 1 2 258.818 3.759 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294396525 265014764 /nfs/dbraw/zinc/01/47/64/265014764.db2.gz ZVNYZGWCPGCXHQ-GOEBONIOSA-N 1 2 297.402 3.560 20 30 CHEDLO N#CCC[N@@H+](Cc1cscc1C(F)(F)F)CC1CC1 ZINC000356198966 266069947 /nfs/dbraw/zinc/06/99/47/266069947.db2.gz XVIXYECCCXXJPW-UHFFFAOYSA-N 1 2 288.338 3.893 20 30 CHEDLO N#CCC[N@H+](Cc1cscc1C(F)(F)F)CC1CC1 ZINC000356198966 266069948 /nfs/dbraw/zinc/06/99/48/266069948.db2.gz XVIXYECCCXXJPW-UHFFFAOYSA-N 1 2 288.338 3.893 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000356289435 266088352 /nfs/dbraw/zinc/08/83/52/266088352.db2.gz AQPQQJLDHNHVNZ-OAHLLOKOSA-N 1 2 283.400 3.742 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCCC[C@@H]2c2ccccc2)n1 ZINC000356289435 266088353 /nfs/dbraw/zinc/08/83/53/266088353.db2.gz AQPQQJLDHNHVNZ-OAHLLOKOSA-N 1 2 283.400 3.742 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000357961021 266389819 /nfs/dbraw/zinc/38/98/19/266389819.db2.gz MNJSTUYUYUHEFE-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO C=CC[C@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000116858831 267184245 /nfs/dbraw/zinc/18/42/45/267184245.db2.gz NVKQSEQDVKXZBG-ZDUSSCGKSA-N 1 2 282.343 3.568 20 30 CHEDLO N#CC1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC1 ZINC000418144318 267364838 /nfs/dbraw/zinc/36/48/38/267364838.db2.gz SOXCFNCIQYYJLN-UHFFFAOYSA-N 1 2 289.429 3.655 20 30 CHEDLO C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000377223907 268057395 /nfs/dbraw/zinc/05/73/95/268057395.db2.gz RURPULNJJNMHKE-CQSZACIVSA-N 1 2 298.390 3.563 20 30 CHEDLO C=C(C)COc1cc(C[NH2+]C2(C(F)F)CC2)ccc1OC ZINC000337304875 327952666 /nfs/dbraw/zinc/95/26/66/327952666.db2.gz QYYNESHDQIKQNA-UHFFFAOYSA-N 1 2 297.345 3.537 20 30 CHEDLO N#CC1CCC(CNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000281705083 328241140 /nfs/dbraw/zinc/24/11/40/328241140.db2.gz UAHGTUILDBPNEE-UHFFFAOYSA-N 1 2 283.297 3.842 20 30 CHEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C1(C#N)CCCC1 ZINC000294515759 328281570 /nfs/dbraw/zinc/28/15/70/328281570.db2.gz LFOQNKNPZIAXPM-UHFFFAOYSA-N 1 2 286.375 3.641 20 30 CHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533417813 326830637 /nfs/dbraw/zinc/83/06/37/326830637.db2.gz WLQXSPUHBPWHOB-UHFFFAOYSA-N 1 2 299.201 3.584 20 30 CHEDLO C=CCOc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000091495287 327102599 /nfs/dbraw/zinc/10/25/99/327102599.db2.gz YULCURPNQGXPCZ-UHFFFAOYSA-N 1 2 254.333 3.567 20 30 CHEDLO C[N@H+](Cc1cnc(-c2ccccc2)s1)CC(C)(C)C#N ZINC000560569480 327325601 /nfs/dbraw/zinc/32/56/01/327325601.db2.gz JUMKHMUSAPGFRX-UHFFFAOYSA-N 1 2 285.416 3.792 20 30 CHEDLO C[N@@H+](Cc1cnc(-c2ccccc2)s1)CC(C)(C)C#N ZINC000560569480 327325602 /nfs/dbraw/zinc/32/56/02/327325602.db2.gz JUMKHMUSAPGFRX-UHFFFAOYSA-N 1 2 285.416 3.792 20 30 CHEDLO N#Cc1csc(CNc2ccc(-c3ccccc3)c[nH+]2)n1 ZINC000357697058 328874403 /nfs/dbraw/zinc/87/44/03/328874403.db2.gz HURXWSABNUQNHT-UHFFFAOYSA-N 1 2 292.367 3.689 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171620036 329074831 /nfs/dbraw/zinc/07/48/31/329074831.db2.gz VPJPDPZSHLFPRI-UHFFFAOYSA-N 1 2 287.366 3.598 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171620036 329074832 /nfs/dbraw/zinc/07/48/32/329074832.db2.gz VPJPDPZSHLFPRI-UHFFFAOYSA-N 1 2 287.366 3.598 20 30 CHEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCC(C)(C)C#N)o1 ZINC000174868445 329164167 /nfs/dbraw/zinc/16/41/67/329164167.db2.gz AQMXNSQPCKPBQM-HNNXBMFYSA-N 1 2 290.407 3.545 20 30 CHEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCCC(C)(C)C#N)o1 ZINC000174868445 329164168 /nfs/dbraw/zinc/16/41/68/329164168.db2.gz AQMXNSQPCKPBQM-HNNXBMFYSA-N 1 2 290.407 3.545 20 30 CHEDLO C=CCCCCCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176726144 329176254 /nfs/dbraw/zinc/17/62/54/329176254.db2.gz JMWMDHDCADNMQO-UHFFFAOYSA-N 1 2 275.396 3.909 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000177366223 329183640 /nfs/dbraw/zinc/18/36/40/329183640.db2.gz VDIJISOCSQCGRE-INIZCTEOSA-N 1 2 294.398 4.000 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000177366223 329183641 /nfs/dbraw/zinc/18/36/41/329183641.db2.gz VDIJISOCSQCGRE-INIZCTEOSA-N 1 2 294.398 4.000 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000227353575 329272324 /nfs/dbraw/zinc/27/23/24/329272324.db2.gz APDODGBJPTZSKM-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO Cc1occc1C[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186748468 329348172 /nfs/dbraw/zinc/34/81/72/329348172.db2.gz LDFIULJJFSISFS-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO Cc1occc1C[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186748468 329348174 /nfs/dbraw/zinc/34/81/74/329348174.db2.gz LDFIULJJFSISFS-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO C[C@@H]1SCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H]1C ZINC000187056852 329351842 /nfs/dbraw/zinc/35/18/42/329351842.db2.gz YWTGJPYXAZDPPE-QWRGUYRKSA-N 1 2 280.824 3.537 20 30 CHEDLO C[C@@H]1SCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H]1C ZINC000187056852 329351844 /nfs/dbraw/zinc/35/18/44/329351844.db2.gz YWTGJPYXAZDPPE-QWRGUYRKSA-N 1 2 280.824 3.537 20 30 CHEDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000192182689 329430502 /nfs/dbraw/zinc/43/05/02/329430502.db2.gz FVDHJLOTRXVKHS-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(C)(C)C#N)CC1 ZINC000162218586 329984594 /nfs/dbraw/zinc/98/45/94/329984594.db2.gz RHDGXUJYDJZZGJ-UHFFFAOYSA-N 1 2 296.418 3.538 20 30 CHEDLO C=C1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000266772841 330064107 /nfs/dbraw/zinc/06/41/07/330064107.db2.gz WCIYSTAMEDVQJS-CQSZACIVSA-N 1 2 283.375 3.758 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1csc(CC)n1)c1ccccc1 ZINC000270182360 330073527 /nfs/dbraw/zinc/07/35/27/330073527.db2.gz JRYMRLUTVXYQEP-OAHLLOKOSA-N 1 2 270.401 3.560 20 30 CHEDLO C=CC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1 ZINC000270629749 330076648 /nfs/dbraw/zinc/07/66/48/330076648.db2.gz QFPUNAYARCDGKA-UHFFFAOYSA-N 1 2 268.360 3.740 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1 ZINC000270629749 330076649 /nfs/dbraw/zinc/07/66/49/330076649.db2.gz QFPUNAYARCDGKA-UHFFFAOYSA-N 1 2 268.360 3.740 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1csc(CCC)n1)c1ccccc1 ZINC000271649855 330081619 /nfs/dbraw/zinc/08/16/19/330081619.db2.gz BBHNTBASMHMFRE-MRXNPFEDSA-N 1 2 284.428 3.950 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000121225491 330398079 /nfs/dbraw/zinc/39/80/79/330398079.db2.gz ZSTMDGZVRQIJKM-UHFFFAOYSA-N 1 2 250.411 3.809 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000121225491 330398080 /nfs/dbraw/zinc/39/80/80/330398080.db2.gz ZSTMDGZVRQIJKM-UHFFFAOYSA-N 1 2 250.411 3.809 20 30 CHEDLO N#CCC[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451529706 331032753 /nfs/dbraw/zinc/03/27/53/331032753.db2.gz NUJQIQKLHHGZCS-UHFFFAOYSA-N 1 2 280.774 3.600 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451792660 331042150 /nfs/dbraw/zinc/04/21/50/331042150.db2.gz ALXDQIXZDLFFOJ-INIZCTEOSA-N 1 2 290.382 3.529 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451792660 331042151 /nfs/dbraw/zinc/04/21/51/331042151.db2.gz ALXDQIXZDLFFOJ-INIZCTEOSA-N 1 2 290.382 3.529 20 30 CHEDLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(C#N)cc1 ZINC000453288963 331111454 /nfs/dbraw/zinc/11/14/54/331111454.db2.gz MBULJEDMPZMACK-MFKMUULPSA-N 1 2 252.308 3.643 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F ZINC000453299590 331112997 /nfs/dbraw/zinc/11/29/97/331112997.db2.gz UWROSOZQMPQFFH-IAQYHMDHSA-N 1 2 278.346 3.959 20 30 CHEDLO C=CCC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccco1 ZINC000453336723 331118563 /nfs/dbraw/zinc/11/85/63/331118563.db2.gz FLDCRWOVXJTYDD-ZIAGYGMSSA-N 1 2 273.380 3.854 20 30 CHEDLO N#CCC[N@@H+](CCc1cccc(Cl)c1)Cc1ccco1 ZINC000459299343 331275134 /nfs/dbraw/zinc/27/51/34/331275134.db2.gz PEMWRGSRVKFEGB-UHFFFAOYSA-N 1 2 288.778 3.891 20 30 CHEDLO N#CCC[N@H+](CCc1cccc(Cl)c1)Cc1ccco1 ZINC000459299343 331275135 /nfs/dbraw/zinc/27/51/35/331275135.db2.gz PEMWRGSRVKFEGB-UHFFFAOYSA-N 1 2 288.778 3.891 20 30 CHEDLO C=CC[C@@H](CC)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000510753314 332915331 /nfs/dbraw/zinc/91/53/31/332915331.db2.gz RBDOVUNTXKGPHY-CQSZACIVSA-N 1 2 296.370 3.958 20 30 CHEDLO N#Cc1cnc(Nc2ccc([NH2+]CC3CCCC3)cc2)cn1 ZINC000475429762 331631922 /nfs/dbraw/zinc/63/19/22/331631922.db2.gz OUISFICBYDDLQN-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO CCc1ccc(-c2ccc(C[NH2+]CC3(C#N)CC3)o2)cc1 ZINC000516560434 331870034 /nfs/dbraw/zinc/87/00/34/331870034.db2.gz XGSUAHXGXJVQPS-UHFFFAOYSA-N 1 2 280.371 3.902 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ncc(C(C)C)s1)c1ccc(F)cc1 ZINC000491616311 332243431 /nfs/dbraw/zinc/24/34/31/332243431.db2.gz ARINUIJEKQGKRX-AWEZNQCLSA-N 1 2 288.391 3.870 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000491738325 332317910 /nfs/dbraw/zinc/31/79/10/332317910.db2.gz WPNNYAILFVFJDS-KRWDZBQOSA-N 1 2 298.748 3.815 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnc(C)s1)c1ccc(Cl)cc1 ZINC000491764666 332333202 /nfs/dbraw/zinc/33/32/02/332333202.db2.gz CXWIAWCPTRJBGA-AWEZNQCLSA-N 1 2 276.792 3.569 20 30 CHEDLO C=CCCC[NH2+][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000512280787 332961116 /nfs/dbraw/zinc/96/11/16/332961116.db2.gz XFJLUANDQDSJTL-MRXNPFEDSA-N 1 2 295.810 3.674 20 30 CHEDLO C=C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000513449166 333020209 /nfs/dbraw/zinc/02/02/09/333020209.db2.gz YGKJMJUIGZPDGW-UHFFFAOYSA-N 1 2 273.273 3.997 20 30 CHEDLO CC#CCCCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000186021134 333153487 /nfs/dbraw/zinc/15/34/87/333153487.db2.gz HNBWAZLAELUEFN-UHFFFAOYSA-N 1 2 295.386 3.963 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000189058352 333179357 /nfs/dbraw/zinc/17/93/57/333179357.db2.gz ZSVNSLGPVJRWMO-SFHVURJKSA-N 1 2 297.402 3.992 20 30 CHEDLO N#CCCC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000576028112 335142905 /nfs/dbraw/zinc/14/29/05/335142905.db2.gz ZHQNRLGIQGHFFQ-AWEZNQCLSA-N 1 2 288.782 3.657 20 30 CHEDLO N#CCCC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000576028112 335142906 /nfs/dbraw/zinc/14/29/06/335142906.db2.gz ZHQNRLGIQGHFFQ-AWEZNQCLSA-N 1 2 288.782 3.657 20 30 CHEDLO C=CCC[C@@H](C)[NH2+]c1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000542692649 333836747 /nfs/dbraw/zinc/83/67/47/333836747.db2.gz DTQCQENIMFUUCA-CQSZACIVSA-N 1 2 299.422 3.861 20 30 CHEDLO CC(C)Oc1ccccc1CNc1cc(CC#N)cc[nH+]1 ZINC000546633387 334042313 /nfs/dbraw/zinc/04/23/13/334042313.db2.gz GIMMCWPGBGPIOZ-UHFFFAOYSA-N 1 2 281.359 3.547 20 30 CHEDLO C=CCOCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000549796592 334205217 /nfs/dbraw/zinc/20/52/17/334205217.db2.gz CZZNQPZHHQGLIA-UHFFFAOYSA-N 1 2 274.191 3.628 20 30 CHEDLO C=CCOCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000549796592 334205218 /nfs/dbraw/zinc/20/52/18/334205218.db2.gz CZZNQPZHHQGLIA-UHFFFAOYSA-N 1 2 274.191 3.628 20 30 CHEDLO C=CCOc1ccc(C[NH2+]CC(C)(F)F)cc1Cl ZINC000550258944 334217767 /nfs/dbraw/zinc/21/77/67/334217767.db2.gz KBXLQHJBBXSPET-UHFFFAOYSA-N 1 2 275.726 3.650 20 30 CHEDLO Cc1ccc(Cl)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092108271 334396461 /nfs/dbraw/zinc/39/64/61/334396461.db2.gz VWAFMXPUUXOCJI-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2csc3ccccc23)c1 ZINC000572780975 334877857 /nfs/dbraw/zinc/87/78/57/334877857.db2.gz FGYFBUSREZNJFJ-UHFFFAOYSA-N 1 2 279.368 3.974 20 30 CHEDLO C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)c2[nH+]ccn21 ZINC000294040783 334893194 /nfs/dbraw/zinc/89/31/94/334893194.db2.gz IQGMECCYRITRHN-CJNGLKHVSA-N 1 2 296.374 3.684 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000577527192 335365195 /nfs/dbraw/zinc/36/51/95/335365195.db2.gz LKELWQRCZFXSPT-ZDUSSCGKSA-N 1 2 289.766 3.777 20 30 CHEDLO Cc1ccccc1C[N@H+](Cc1ccccn1)CC1(C#N)CC1 ZINC000581373372 336063818 /nfs/dbraw/zinc/06/38/18/336063818.db2.gz TTZVNNWZJFNPRL-UHFFFAOYSA-N 1 2 291.398 3.696 20 30 CHEDLO Cc1ccccc1C[N@@H+](Cc1ccccn1)CC1(C#N)CC1 ZINC000581373372 336063819 /nfs/dbraw/zinc/06/38/19/336063819.db2.gz TTZVNNWZJFNPRL-UHFFFAOYSA-N 1 2 291.398 3.696 20 30 CHEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CF)cc1Cl ZINC000581831778 336149210 /nfs/dbraw/zinc/14/92/10/336149210.db2.gz FICRFPAJGXUGAN-ZDUSSCGKSA-N 1 2 283.774 3.839 20 30 CHEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1Cl ZINC000581831778 336149211 /nfs/dbraw/zinc/14/92/11/336149211.db2.gz FICRFPAJGXUGAN-ZDUSSCGKSA-N 1 2 283.774 3.839 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2nc(C#N)cs2)C(C)C)s1 ZINC000356061135 533907673 /nfs/dbraw/zinc/90/76/73/533907673.db2.gz JTSKFJJMDOEUNS-UHFFFAOYSA-N 1 2 291.445 3.795 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2nc(C#N)cs2)C(C)C)s1 ZINC000356061135 533907681 /nfs/dbraw/zinc/90/76/81/533907681.db2.gz JTSKFJJMDOEUNS-UHFFFAOYSA-N 1 2 291.445 3.795 20 30 CHEDLO CC[N@H+](Cc1cscn1)[C@H](C)c1ccc(C#N)cc1 ZINC000102949704 521445023 /nfs/dbraw/zinc/44/50/23/521445023.db2.gz INFVKNWRINYENS-GFCCVEGCSA-N 1 2 271.389 3.598 20 30 CHEDLO CC[N@@H+](Cc1cscn1)[C@H](C)c1ccc(C#N)cc1 ZINC000102949704 521445029 /nfs/dbraw/zinc/44/50/29/521445029.db2.gz INFVKNWRINYENS-GFCCVEGCSA-N 1 2 271.389 3.598 20 30 CHEDLO COc1cc[nH+]cc1CS[C@@H](C)c1cccc(C#N)c1 ZINC000289476173 524862193 /nfs/dbraw/zinc/86/21/93/524862193.db2.gz WRWBUBIFQSYRGN-LBPRGKRZSA-N 1 2 284.384 3.956 20 30 CHEDLO CC(C)(C#N)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000353476688 527459078 /nfs/dbraw/zinc/45/90/78/527459078.db2.gz MZHMZYBAQIXAPQ-UHFFFAOYSA-N 1 2 295.342 3.752 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(F)cc1F ZINC000353420936 527715944 /nfs/dbraw/zinc/71/59/44/527715944.db2.gz WQCYTQGNSKSSQO-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(F)cc1F ZINC000353420936 527715949 /nfs/dbraw/zinc/71/59/49/527715949.db2.gz WQCYTQGNSKSSQO-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)Cc1cccc(F)c1 ZINC000356084836 528964605 /nfs/dbraw/zinc/96/46/05/528964605.db2.gz LSOPTOORTQWVAJ-UHFFFAOYSA-N 1 2 289.379 3.564 20 30 CHEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)Cc1cccc(F)c1 ZINC000356084836 528964613 /nfs/dbraw/zinc/96/46/13/528964613.db2.gz LSOPTOORTQWVAJ-UHFFFAOYSA-N 1 2 289.379 3.564 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(C)cs1 ZINC000347637316 529185528 /nfs/dbraw/zinc/18/55/28/529185528.db2.gz NTDSRFAQFVPIAC-CYBMUJFWSA-N 1 2 289.379 3.703 20 30 CHEDLO N#CC1CC[NH+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001138087419 1131463113 /nfs/dbraw/zinc/46/31/13/1131463113.db2.gz CMXBWDTXKKPMNE-UHFFFAOYSA-N 1 2 286.272 3.580 20 30 CHEDLO CC1(F)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232604634 1132490702 /nfs/dbraw/zinc/49/07/02/1132490702.db2.gz CCCMDOWYELGQQY-UHFFFAOYSA-N 1 2 266.747 3.536 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(Br)co1)C1CCCC1 ZINC001232855170 1132531860 /nfs/dbraw/zinc/53/18/60/1132531860.db2.gz ZLJNZMDSYALBJX-UHFFFAOYSA-N 1 2 297.196 3.700 20 30 CHEDLO N#CCC[N@H+](Cc1cc(Br)co1)C1CCCC1 ZINC001232855170 1132531871 /nfs/dbraw/zinc/53/18/71/1132531871.db2.gz ZLJNZMDSYALBJX-UHFFFAOYSA-N 1 2 297.196 3.700 20 30 CHEDLO C=CCCCCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001209442142 1134021905 /nfs/dbraw/zinc/02/19/05/1134021905.db2.gz ATARCVAUTVKRAX-AWEZNQCLSA-N 1 2 275.383 3.605 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001209442142 1134021911 /nfs/dbraw/zinc/02/19/11/1134021911.db2.gz ATARCVAUTVKRAX-AWEZNQCLSA-N 1 2 275.383 3.605 20 30 CHEDLO Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)c(C)[nH+]1 ZINC000119055400 1125527447 /nfs/dbraw/zinc/52/74/47/1125527447.db2.gz VEMZIBPLDDIJJP-UHFFFAOYSA-N 1 2 294.402 3.660 20 30 CHEDLO Cc1cc(C)cc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162266580 1125745611 /nfs/dbraw/zinc/74/56/11/1125745611.db2.gz FHLXKOUKJRGUQI-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000093091178 1125763933 /nfs/dbraw/zinc/76/39/33/1125763933.db2.gz DLCZZOFZOWLDKL-SECBINFHSA-N 1 2 288.725 3.675 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000093091178 1125763938 /nfs/dbraw/zinc/76/39/38/1125763938.db2.gz DLCZZOFZOWLDKL-SECBINFHSA-N 1 2 288.725 3.675 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(Cl)nc(Cl)c1 ZINC000739914999 1129409787 /nfs/dbraw/zinc/40/97/87/1129409787.db2.gz VAFUGOZXAIERLZ-UHFFFAOYSA-N 1 2 286.206 3.760 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(Cl)nc(Cl)c1 ZINC000739914999 1129409790 /nfs/dbraw/zinc/40/97/90/1129409790.db2.gz VAFUGOZXAIERLZ-UHFFFAOYSA-N 1 2 286.206 3.760 20 30 CHEDLO CC#CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001169073028 1129696870 /nfs/dbraw/zinc/69/68/70/1129696870.db2.gz QUNVAMGCUYUUMD-CQSZACIVSA-N 1 2 296.183 3.748 20 30 CHEDLO CC#CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001169073028 1129696872 /nfs/dbraw/zinc/69/68/72/1129696872.db2.gz QUNVAMGCUYUUMD-CQSZACIVSA-N 1 2 296.183 3.748 20 30 CHEDLO C#C[C@@](C)(CC)Nc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001169698002 1129748149 /nfs/dbraw/zinc/74/81/49/1129748149.db2.gz PVAMFUIFMFJJOX-ZDUSSCGKSA-N 1 2 292.180 3.539 20 30 CHEDLO C#CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000766896331 1129769270 /nfs/dbraw/zinc/76/92/70/1129769270.db2.gz RCVSTGAZHIFPCV-HNNXBMFYSA-N 1 2 298.213 3.780 20 30 CHEDLO C#CCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000766896331 1129769271 /nfs/dbraw/zinc/76/92/71/1129769271.db2.gz RCVSTGAZHIFPCV-HNNXBMFYSA-N 1 2 298.213 3.780 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1sccc1Br ZINC000903032823 1130102642 /nfs/dbraw/zinc/10/26/42/1130102642.db2.gz ZDMOCLZTZZXFGJ-SECBINFHSA-N 1 2 299.237 3.855 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338327151 1126735304 /nfs/dbraw/zinc/73/53/04/1126735304.db2.gz KUPLFHHMGPMJCX-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338327151 1126735307 /nfs/dbraw/zinc/73/53/07/1126735307.db2.gz KUPLFHHMGPMJCX-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO CC1=C(C)C[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000483383676 1126784567 /nfs/dbraw/zinc/78/45/67/1126784567.db2.gz ZBNNHTXTMNTIJF-UHFFFAOYSA-N 1 2 260.768 3.754 20 30 CHEDLO CC1=C(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000483383676 1126784569 /nfs/dbraw/zinc/78/45/69/1126784569.db2.gz ZBNNHTXTMNTIJF-UHFFFAOYSA-N 1 2 260.768 3.754 20 30 CHEDLO C=CC[N@@H+](CCOC)Cc1cc(Cl)ccc1Cl ZINC000483427042 1126787193 /nfs/dbraw/zinc/78/71/93/1126787193.db2.gz QLTXOGYECQDVDJ-UHFFFAOYSA-N 1 2 274.191 3.628 20 30 CHEDLO C=CC[N@H+](CCOC)Cc1cc(Cl)ccc1Cl ZINC000483427042 1126787197 /nfs/dbraw/zinc/78/71/97/1126787197.db2.gz QLTXOGYECQDVDJ-UHFFFAOYSA-N 1 2 274.191 3.628 20 30 CHEDLO COc1ccc(Cl)cc1C[N@H+](C)CC#Cc1ccccc1 ZINC000483531938 1126790672 /nfs/dbraw/zinc/79/06/72/1126790672.db2.gz MDWCIQCEVFLRPL-UHFFFAOYSA-N 1 2 299.801 3.832 20 30 CHEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000483531938 1126790675 /nfs/dbraw/zinc/79/06/75/1126790675.db2.gz MDWCIQCEVFLRPL-UHFFFAOYSA-N 1 2 299.801 3.832 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177202406 1126798481 /nfs/dbraw/zinc/79/84/81/1126798481.db2.gz RMGRNZQGPDRSCN-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177202406 1126798484 /nfs/dbraw/zinc/79/84/84/1126798484.db2.gz RMGRNZQGPDRSCN-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000178389074 1126812785 /nfs/dbraw/zinc/81/27/85/1126812785.db2.gz KBDOAHYNOLLRAK-MRXNPFEDSA-N 1 2 279.387 3.601 20 30 CHEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000178389074 1126812786 /nfs/dbraw/zinc/81/27/86/1126812786.db2.gz KBDOAHYNOLLRAK-MRXNPFEDSA-N 1 2 279.387 3.601 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000128954482 1126876113 /nfs/dbraw/zinc/87/61/13/1126876113.db2.gz SRUKCPCTZANABO-UHFFFAOYSA-N 1 2 295.007 3.945 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185440566 1126899984 /nfs/dbraw/zinc/89/99/84/1126899984.db2.gz JTLRVAZBIBVKRM-GFCCVEGCSA-N 1 2 287.338 3.552 20 30 CHEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365853 1126910255 /nfs/dbraw/zinc/91/02/55/1126910255.db2.gz HCEYLURKICGDNF-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365853 1126910259 /nfs/dbraw/zinc/91/02/59/1126910259.db2.gz HCEYLURKICGDNF-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO CC(C)c1[nH+]c(C=NOCCC(F)(F)F)c2ccccn21 ZINC000777455868 1126937547 /nfs/dbraw/zinc/93/75/47/1126937547.db2.gz MTDUFNZJQGNTKP-UHFFFAOYSA-N 1 2 299.296 3.761 20 30 CHEDLO CC(C)[N@H+](Cc1ccco1)Cc1cc(F)ccc1C#N ZINC000268329678 1127016045 /nfs/dbraw/zinc/01/60/45/1127016045.db2.gz WVOPNZDMACOQGP-UHFFFAOYSA-N 1 2 272.323 3.701 20 30 CHEDLO CC(C)[N@@H+](Cc1ccco1)Cc1cc(F)ccc1C#N ZINC000268329678 1127016047 /nfs/dbraw/zinc/01/60/47/1127016047.db2.gz WVOPNZDMACOQGP-UHFFFAOYSA-N 1 2 272.323 3.701 20 30 CHEDLO CC(=[NH+]OC1CCCCC1)c1cc(F)c(N)c(F)c1 ZINC000814910235 1130935054 /nfs/dbraw/zinc/93/50/54/1130935054.db2.gz RPIXLWRNTXHIEB-UHFFFAOYSA-N 1 2 268.307 3.620 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000271128758 1127069565 /nfs/dbraw/zinc/06/95/65/1127069565.db2.gz MZIGCMTYRHSJDN-GFCCVEGCSA-N 1 2 272.323 3.677 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000271128758 1127069569 /nfs/dbraw/zinc/06/95/69/1127069569.db2.gz MZIGCMTYRHSJDN-GFCCVEGCSA-N 1 2 272.323 3.677 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271162378 1127070497 /nfs/dbraw/zinc/07/04/97/1127070497.db2.gz LMMMZBUCGLTKES-GFCCVEGCSA-N 1 2 272.323 3.820 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271162378 1127070500 /nfs/dbraw/zinc/07/05/00/1127070500.db2.gz LMMMZBUCGLTKES-GFCCVEGCSA-N 1 2 272.323 3.820 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237080922 1131047159 /nfs/dbraw/zinc/04/71/59/1131047159.db2.gz HNFCFFHMLXIUCP-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237080922 1131047164 /nfs/dbraw/zinc/04/71/64/1131047164.db2.gz HNFCFFHMLXIUCP-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccc2F)o1 ZINC000349854265 1127164858 /nfs/dbraw/zinc/16/48/58/1127164858.db2.gz NEZQEXCKNAVLGP-UHFFFAOYSA-N 1 2 272.323 3.821 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2F)o1 ZINC000349854265 1127164859 /nfs/dbraw/zinc/16/48/59/1127164859.db2.gz NEZQEXCKNAVLGP-UHFFFAOYSA-N 1 2 272.323 3.821 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000589173282 1127213539 /nfs/dbraw/zinc/21/35/39/1127213539.db2.gz SGJNSBIWPCSJRM-INIZCTEOSA-N 1 2 254.333 3.558 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000589173282 1127213541 /nfs/dbraw/zinc/21/35/41/1127213541.db2.gz SGJNSBIWPCSJRM-INIZCTEOSA-N 1 2 254.333 3.558 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(OCC)c(F)c1 ZINC001237958056 1131155434 /nfs/dbraw/zinc/15/54/34/1131155434.db2.gz PDTJMFXQSIQTSG-UHFFFAOYSA-N 1 2 278.371 3.740 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OCC)c(F)c1 ZINC001237958056 1131155436 /nfs/dbraw/zinc/15/54/36/1131155436.db2.gz PDTJMFXQSIQTSG-UHFFFAOYSA-N 1 2 278.371 3.740 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590173195 1127251539 /nfs/dbraw/zinc/25/15/39/1127251539.db2.gz NGDVVBUPPQOLAT-SFHVURJKSA-N 1 2 285.435 3.893 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590173195 1127251543 /nfs/dbraw/zinc/25/15/43/1127251543.db2.gz NGDVVBUPPQOLAT-SFHVURJKSA-N 1 2 285.435 3.893 20 30 CHEDLO C[N@H+](Cc1cscc1C(F)(F)F)CC(C)(C)C#N ZINC000354009734 1127285018 /nfs/dbraw/zinc/28/50/18/1127285018.db2.gz KTNZJBORQLENCF-UHFFFAOYSA-N 1 2 276.327 3.748 20 30 CHEDLO C[N@@H+](Cc1cscc1C(F)(F)F)CC(C)(C)C#N ZINC000354009734 1127285020 /nfs/dbraw/zinc/28/50/20/1127285020.db2.gz KTNZJBORQLENCF-UHFFFAOYSA-N 1 2 276.327 3.748 20 30 CHEDLO C[N@H+](Cc1cnc(-c2ccsc2)s1)CC(C)(C)C#N ZINC000354017548 1127285927 /nfs/dbraw/zinc/28/59/27/1127285927.db2.gz KUPSUHHPUQYOBU-UHFFFAOYSA-N 1 2 291.445 3.853 20 30 CHEDLO C[N@@H+](Cc1cnc(-c2ccsc2)s1)CC(C)(C)C#N ZINC000354017548 1127285929 /nfs/dbraw/zinc/28/59/29/1127285929.db2.gz KUPSUHHPUQYOBU-UHFFFAOYSA-N 1 2 291.445 3.853 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000573198978 1127297709 /nfs/dbraw/zinc/29/77/09/1127297709.db2.gz FAHVQSPWAJJIJX-OCCSQVGLSA-N 1 2 295.308 3.713 20 30 CHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592071983 1127334471 /nfs/dbraw/zinc/33/44/71/1127334471.db2.gz ALHPMINFZAHVBZ-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071983 1127334475 /nfs/dbraw/zinc/33/44/75/1127334475.db2.gz ALHPMINFZAHVBZ-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO CC(C)C[N@H+](Cc1ccccc1F)Cc1ccncc1C#N ZINC000592068160 1127335406 /nfs/dbraw/zinc/33/54/06/1127335406.db2.gz RSRNERAFEPOXRR-UHFFFAOYSA-N 1 2 297.377 3.751 20 30 CHEDLO CC(C)C[N@@H+](Cc1ccccc1F)Cc1ccncc1C#N ZINC000592068160 1127335410 /nfs/dbraw/zinc/33/54/10/1127335410.db2.gz RSRNERAFEPOXRR-UHFFFAOYSA-N 1 2 297.377 3.751 20 30 CHEDLO C[C@@H](C#N)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000593615192 1127391691 /nfs/dbraw/zinc/39/16/91/1127391691.db2.gz NIPVDASZGGZFDO-UONOGXRCSA-N 1 2 265.360 3.559 20 30 CHEDLO N#CC1(c2ccc(C[NH2+]C3(C(F)F)CCCC3)cc2)CC1 ZINC000594958228 1127440188 /nfs/dbraw/zinc/44/01/88/1127440188.db2.gz TUETTWXZLOCQGR-UHFFFAOYSA-N 1 2 290.357 3.909 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000595611298 1127470207 /nfs/dbraw/zinc/47/02/07/1127470207.db2.gz IYONTPWUYZEEDF-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000595611298 1127470210 /nfs/dbraw/zinc/47/02/10/1127470210.db2.gz IYONTPWUYZEEDF-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000595610800 1127470550 /nfs/dbraw/zinc/47/05/50/1127470550.db2.gz CLVAJVSZGBXXDI-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000595610800 1127470552 /nfs/dbraw/zinc/47/05/52/1127470552.db2.gz CLVAJVSZGBXXDI-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000595699761 1127472666 /nfs/dbraw/zinc/47/26/66/1127472666.db2.gz AHVJXTOJYUANCD-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000595699761 1127472668 /nfs/dbraw/zinc/47/26/68/1127472668.db2.gz AHVJXTOJYUANCD-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO C[N@H+](Cc1cccs1)Cc1ccc(Cl)cc1C#N ZINC000359832974 1127479607 /nfs/dbraw/zinc/47/96/07/1127479607.db2.gz PTWYZAZLJVMORD-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1cccs1)Cc1ccc(Cl)cc1C#N ZINC000359832974 1127479609 /nfs/dbraw/zinc/47/96/09/1127479609.db2.gz PTWYZAZLJVMORD-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C=CCC(C)(C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000293715857 1127514971 /nfs/dbraw/zinc/51/49/71/1127514971.db2.gz VBWCUIVIOKTEMJ-UHFFFAOYSA-N 1 2 283.375 3.926 20 30 CHEDLO Cc1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC000597177591 1127532821 /nfs/dbraw/zinc/53/28/21/1127532821.db2.gz PYBXYPBQAIVFPF-GFCCVEGCSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC000597177591 1127532824 /nfs/dbraw/zinc/53/28/24/1127532824.db2.gz PYBXYPBQAIVFPF-GFCCVEGCSA-N 1 2 280.774 3.913 20 30 CHEDLO CCc1cccc(Cl)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232273 1127535583 /nfs/dbraw/zinc/53/55/83/1127535583.db2.gz RYHVFXSPDZGUHL-HNNXBMFYSA-N 1 2 262.784 3.638 20 30 CHEDLO CCc1cccc(Cl)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232273 1127535585 /nfs/dbraw/zinc/53/55/85/1127535585.db2.gz RYHVFXSPDZGUHL-HNNXBMFYSA-N 1 2 262.784 3.638 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361316884 1127556071 /nfs/dbraw/zinc/55/60/71/1127556071.db2.gz WNHNQSAKXIFJIT-WMZOPIPTSA-N 1 2 280.371 3.799 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361316884 1127556073 /nfs/dbraw/zinc/55/60/73/1127556073.db2.gz WNHNQSAKXIFJIT-WMZOPIPTSA-N 1 2 280.371 3.799 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(NC[C@H](C)CCC#N)cc2)c1C ZINC000602676261 1127603041 /nfs/dbraw/zinc/60/30/41/1127603041.db2.gz KVHYFAXULBQAJZ-CYBMUJFWSA-N 1 2 282.391 3.841 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000294958209 1127610767 /nfs/dbraw/zinc/61/07/67/1127610767.db2.gz KUEJSYFWOYZZCH-UHFFFAOYSA-N 1 2 267.442 3.840 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000294958209 1127610768 /nfs/dbraw/zinc/61/07/68/1127610768.db2.gz KUEJSYFWOYZZCH-UHFFFAOYSA-N 1 2 267.442 3.840 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981265 1127623880 /nfs/dbraw/zinc/62/38/80/1127623880.db2.gz AJMHOLIECJSWII-HZPDHXFCSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981265 1127623883 /nfs/dbraw/zinc/62/38/83/1127623883.db2.gz AJMHOLIECJSWII-HZPDHXFCSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1ncc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)s1 ZINC000602956271 1127623087 /nfs/dbraw/zinc/62/30/87/1127623087.db2.gz NWZLPWTVBDKHAY-VIFPVBQESA-N 1 2 291.807 3.827 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168414301 1127646967 /nfs/dbraw/zinc/64/69/67/1127646967.db2.gz DOULONDXDMHWHD-INIZCTEOSA-N 1 2 273.326 3.970 20 30 CHEDLO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000599072049 1127655204 /nfs/dbraw/zinc/65/52/04/1127655204.db2.gz XBNHMDUDNKWNPG-BZUAXINKSA-N 1 2 292.373 3.925 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000599072052 1127655366 /nfs/dbraw/zinc/65/53/66/1127655366.db2.gz XBNHMDUDNKWNPG-PMPSAXMXSA-N 1 2 292.373 3.925 20 30 CHEDLO Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1C#N ZINC000599476686 1127673985 /nfs/dbraw/zinc/67/39/85/1127673985.db2.gz GCKDPWKWZRJVMU-GOSISDBHSA-N 1 2 291.398 3.845 20 30 CHEDLO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1C#N ZINC000599476686 1127673988 /nfs/dbraw/zinc/67/39/88/1127673988.db2.gz GCKDPWKWZRJVMU-GOSISDBHSA-N 1 2 291.398 3.845 20 30 CHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC000599678688 1127687985 /nfs/dbraw/zinc/68/79/85/1127687985.db2.gz KZBOVCKQFYCXAN-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(F)cc1F)C2 ZINC000599678688 1127687987 /nfs/dbraw/zinc/68/79/87/1127687987.db2.gz KZBOVCKQFYCXAN-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(F)c1OC(C)C ZINC001238751533 1131240296 /nfs/dbraw/zinc/24/02/96/1131240296.db2.gz ZEECXNNSSBUBEG-UHFFFAOYSA-N 1 2 281.346 3.926 20 30 CHEDLO C#CC[N@@H+](Cc1ccn(C(C)C)n1)[C@@H]1CCc2ccccc21 ZINC000172012134 1127738162 /nfs/dbraw/zinc/73/81/62/1127738162.db2.gz RFJAQDBFXNMXBF-LJQANCHMSA-N 1 2 293.414 3.587 20 30 CHEDLO C#CC[N@H+](Cc1ccn(C(C)C)n1)[C@@H]1CCc2ccccc21 ZINC000172012134 1127738164 /nfs/dbraw/zinc/73/81/64/1127738164.db2.gz RFJAQDBFXNMXBF-LJQANCHMSA-N 1 2 293.414 3.587 20 30 CHEDLO N#CCCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000374624346 1127907327 /nfs/dbraw/zinc/90/73/27/1127907327.db2.gz GUGCJPPZWQZWLK-AWEZNQCLSA-N 1 2 266.747 3.514 20 30 CHEDLO N#CCCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000374624346 1127907329 /nfs/dbraw/zinc/90/73/29/1127907329.db2.gz GUGCJPPZWQZWLK-AWEZNQCLSA-N 1 2 266.747 3.514 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(-c2ccccc2)o1 ZINC000929688484 1128025109 /nfs/dbraw/zinc/02/51/09/1128025109.db2.gz PRRMCXIRLLEADO-UHFFFAOYSA-N 1 2 283.375 3.713 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)o1 ZINC000929688484 1128025114 /nfs/dbraw/zinc/02/51/14/1128025114.db2.gz PRRMCXIRLLEADO-UHFFFAOYSA-N 1 2 283.375 3.713 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnc(C(C)C)s1)c1ccc(F)cc1 ZINC000491348268 1128067820 /nfs/dbraw/zinc/06/78/20/1128067820.db2.gz CJWKDWCRKQHGSV-OAHLLOKOSA-N 1 2 288.391 3.870 20 30 CHEDLO CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925560939 1128132246 /nfs/dbraw/zinc/13/22/46/1128132246.db2.gz AJZIHJRNFWCFEV-GXTWGEPZSA-N 1 2 294.345 3.882 20 30 CHEDLO CC[C@@H]([NH2+]CCCCOC(C)C)c1cccc(C#N)c1O ZINC000926131502 1128156813 /nfs/dbraw/zinc/15/68/13/1128156813.db2.gz YVJOAUQKNRMMTL-MRXNPFEDSA-N 1 2 290.407 3.510 20 30 CHEDLO CC[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(C#N)c1O ZINC000926422294 1128170977 /nfs/dbraw/zinc/17/09/77/1128170977.db2.gz CQYZNOCEDOSTCM-CQSZACIVSA-N 1 2 276.355 3.587 20 30 CHEDLO CCC[C@H]([NH2+]CC1(C#N)CCC1)c1ncccc1Cl ZINC000926623163 1128184107 /nfs/dbraw/zinc/18/41/07/1128184107.db2.gz BNBQZGNFESPUJA-ZDUSSCGKSA-N 1 2 277.799 3.860 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cccnc1OCc1ccccc1 ZINC001238772702 1131242755 /nfs/dbraw/zinc/24/27/55/1131242755.db2.gz HMLQJAOSUPWZBN-UHFFFAOYSA-N 1 2 294.398 3.835 20 30 CHEDLO Oc1ccc(/C=[NH+]/CCCC2CCCCC2)c(O)c1O ZINC000915113561 1128284123 /nfs/dbraw/zinc/28/41/23/1128284123.db2.gz YVSXWADICVXHBV-GZTJUZNOSA-N 1 2 277.364 3.583 20 30 CHEDLO O=C1c2cc(Cl)ccc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000762447373 1128300403 /nfs/dbraw/zinc/30/04/03/1128300403.db2.gz PODINQIZWIAPOD-WQLSENKSSA-N 1 2 294.741 3.810 20 30 CHEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000487990250 1128328851 /nfs/dbraw/zinc/32/88/51/1128328851.db2.gz RTHGCRCRYWMBAW-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000487990250 1128328856 /nfs/dbraw/zinc/32/88/56/1128328856.db2.gz RTHGCRCRYWMBAW-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO C(=[NH+]Nc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000916273371 1128415337 /nfs/dbraw/zinc/41/53/37/1128415337.db2.gz AGNBITCRSBJXAZ-UHFFFAOYSA-N 1 2 280.375 3.518 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000932151628 1128396663 /nfs/dbraw/zinc/39/66/63/1128396663.db2.gz DLOWCNPTRCJYIT-GFCCVEGCSA-N 1 2 256.374 3.637 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000932151628 1128396666 /nfs/dbraw/zinc/39/66/66/1128396666.db2.gz DLOWCNPTRCJYIT-GFCCVEGCSA-N 1 2 256.374 3.637 20 30 CHEDLO CSc1ccc(C[N@H+](CCC#N)C(C)C)s1 ZINC000564527248 1128511149 /nfs/dbraw/zinc/51/11/49/1128511149.db2.gz BQQCTXRDZNKRNT-UHFFFAOYSA-N 1 2 254.424 3.594 20 30 CHEDLO CSc1ccc(C[N@@H+](CCC#N)C(C)C)s1 ZINC000564527248 1128511152 /nfs/dbraw/zinc/51/11/52/1128511152.db2.gz BQQCTXRDZNKRNT-UHFFFAOYSA-N 1 2 254.424 3.594 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+](CCC#N)C(C)C ZINC000565578648 1128529195 /nfs/dbraw/zinc/52/91/95/1128529195.db2.gz DKFHMNXNKIHOPO-UHFFFAOYSA-N 1 2 282.387 3.972 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+](CCC#N)C(C)C ZINC000565578648 1128529199 /nfs/dbraw/zinc/52/91/99/1128529199.db2.gz DKFHMNXNKIHOPO-UHFFFAOYSA-N 1 2 282.387 3.972 20 30 CHEDLO N#Cc1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)c(F)c1 ZINC000568602882 1128588665 /nfs/dbraw/zinc/58/86/65/1128588665.db2.gz PDTQYISKYHUGRA-UHFFFAOYSA-N 1 2 297.337 3.585 20 30 CHEDLO N#C[C@H]1CC=C(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001212854445 1128600056 /nfs/dbraw/zinc/60/00/56/1128600056.db2.gz GNNPEAUHMVMELA-AWEZNQCLSA-N 1 2 282.391 3.691 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000569187383 1128601230 /nfs/dbraw/zinc/60/12/30/1128601230.db2.gz OCJILEDVXZDXFT-UHFFFAOYSA-N 1 2 288.297 3.618 20 30 CHEDLO COc1ccc(CC[C@@H](C)/[NH+]=C/c2ccccc2O)cc1 ZINC000921260907 1128704877 /nfs/dbraw/zinc/70/48/77/1128704877.db2.gz IBUYUMKFCRJUET-NFECSFHCSA-N 1 2 283.371 3.841 20 30 CHEDLO CC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Cl ZINC000578834554 1128729778 /nfs/dbraw/zinc/72/97/78/1128729778.db2.gz DESNQRYADXZGLA-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Cl ZINC000578834554 1128729781 /nfs/dbraw/zinc/72/97/81/1128729781.db2.gz DESNQRYADXZGLA-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccccc1C#N ZINC000610003947 1128733919 /nfs/dbraw/zinc/73/39/19/1128733919.db2.gz RNQQPYGNXBIYJE-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccccc1C#N ZINC000610003947 1128733921 /nfs/dbraw/zinc/73/39/21/1128733921.db2.gz RNQQPYGNXBIYJE-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO Cc1ccc(OCCC[N@H+](CC#N)C2CCCC2)cc1C ZINC000610003238 1128734690 /nfs/dbraw/zinc/73/46/90/1128734690.db2.gz DEPPWSLGUUTYSN-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO Cc1ccc(OCCC[N@@H+](CC#N)C2CCCC2)cc1C ZINC000610003238 1128734694 /nfs/dbraw/zinc/73/46/94/1128734694.db2.gz DEPPWSLGUUTYSN-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO C[N@H+](Cc1csc(Br)c1)[C@@H]1CCC[C@@H]1C#N ZINC000042362212 1117835877 /nfs/dbraw/zinc/83/58/77/1117835877.db2.gz RTAFSCCLZXSBHR-GHMZBOCLSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCC[C@@H]1C#N ZINC000042362212 1117835882 /nfs/dbraw/zinc/83/58/82/1117835882.db2.gz RTAFSCCLZXSBHR-GHMZBOCLSA-N 1 2 299.237 3.635 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000763950198 1117853714 /nfs/dbraw/zinc/85/37/14/1117853714.db2.gz SYBOJGPHCFKUPQ-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C#CC[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000763950198 1117853719 /nfs/dbraw/zinc/85/37/19/1117853719.db2.gz SYBOJGPHCFKUPQ-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(C)cn2)cc1 ZINC000748075934 1117906623 /nfs/dbraw/zinc/90/66/23/1117906623.db2.gz NIAIFCKYUHYGJD-UHFFFAOYSA-N 1 2 282.391 3.682 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC000180039649 1117920495 /nfs/dbraw/zinc/92/04/95/1117920495.db2.gz SXZGFJJECJYQAQ-HNNXBMFYSA-N 1 2 283.375 3.744 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001209443876 1118063698 /nfs/dbraw/zinc/06/36/98/1118063698.db2.gz GXLYCUWEDFORSF-UHFFFAOYSA-N 1 2 261.413 3.652 20 30 CHEDLO C=CCCCCCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001209443876 1118063704 /nfs/dbraw/zinc/06/37/04/1118063704.db2.gz GXLYCUWEDFORSF-UHFFFAOYSA-N 1 2 261.413 3.652 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CC4(C3)CCCCC4)c2c1 ZINC001167181384 1118088016 /nfs/dbraw/zinc/08/80/16/1118088016.db2.gz PNQKDBBMVDSSSC-UHFFFAOYSA-N 1 2 277.371 3.877 20 30 CHEDLO CNc1ccc(Nc2cccc3c(C#N)cccc23)c[nH+]1 ZINC001203458966 1118230648 /nfs/dbraw/zinc/23/06/48/1118230648.db2.gz VPOXKIVGFXPFFJ-UHFFFAOYSA-N 1 2 274.327 3.892 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)s1 ZINC000255138653 1118311112 /nfs/dbraw/zinc/31/11/12/1118311112.db2.gz OVRVCVJJRDCOSU-SREVYHEPSA-N 1 2 268.341 3.600 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(O)c(C#N)c1 ZINC001210529639 1118313399 /nfs/dbraw/zinc/31/33/99/1118313399.db2.gz MXZAAITZNYCIRB-UHFFFAOYSA-N 1 2 267.332 3.834 20 30 CHEDLO CC(C)(CNc1cc(CC#N)cc[nH+]1)c1ccccc1 ZINC000616202604 1128780609 /nfs/dbraw/zinc/78/06/09/1128780609.db2.gz ZZQCWHYWHGNALD-UHFFFAOYSA-N 1 2 265.360 3.537 20 30 CHEDLO N#Cc1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)ccc1F ZINC000610720108 1118840517 /nfs/dbraw/zinc/84/05/17/1118840517.db2.gz UJITYXXLPAANAM-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)ccc1F ZINC000610720108 1118840521 /nfs/dbraw/zinc/84/05/21/1118840521.db2.gz UJITYXXLPAANAM-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000610952865 1118912123 /nfs/dbraw/zinc/91/21/23/1118912123.db2.gz XFALGPNWUDTLBX-UHFFFAOYSA-N 1 2 296.370 3.633 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000610952865 1118912125 /nfs/dbraw/zinc/91/21/25/1118912125.db2.gz XFALGPNWUDTLBX-UHFFFAOYSA-N 1 2 296.370 3.633 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)nc3)n2c1 ZINC000255436529 1118926988 /nfs/dbraw/zinc/92/69/88/1118926988.db2.gz GRDUASNKOYTZJL-PLNGDYQASA-N 1 2 297.745 3.587 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cscc2Cl)CC1 ZINC000611561328 1118935163 /nfs/dbraw/zinc/93/51/63/1118935163.db2.gz KHVOLDWBPVHZFI-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)nc1 ZINC000780556521 1128834772 /nfs/dbraw/zinc/83/47/72/1128834772.db2.gz NVXGTSXQLFHQDT-UHFFFAOYSA-N 1 2 292.169 3.550 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000157738948 1119413486 /nfs/dbraw/zinc/41/34/86/1119413486.db2.gz XIUIGOXOQKCXBV-HNNXBMFYSA-N 1 2 292.810 3.653 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000157738948 1119413488 /nfs/dbraw/zinc/41/34/88/1119413488.db2.gz XIUIGOXOQKCXBV-HNNXBMFYSA-N 1 2 292.810 3.653 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000161933183 1119430603 /nfs/dbraw/zinc/43/06/03/1119430603.db2.gz TVHYUTDTKJSOGL-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000161933183 1119430605 /nfs/dbraw/zinc/43/06/05/1119430605.db2.gz TVHYUTDTKJSOGL-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO CCCCCCC[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000133743680 1119475353 /nfs/dbraw/zinc/47/53/53/1119475353.db2.gz BVSPOOXEFFLERJ-FQEVSTJZSA-N 1 2 292.448 3.862 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(SC(F)F)cc1 ZINC000081039520 1119509044 /nfs/dbraw/zinc/50/90/44/1119509044.db2.gz GHRIUJXIMNVHJV-UHFFFAOYSA-N 1 2 270.348 3.737 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(SC(F)F)cc1 ZINC000081039520 1119509046 /nfs/dbraw/zinc/50/90/46/1119509046.db2.gz GHRIUJXIMNVHJV-UHFFFAOYSA-N 1 2 270.348 3.737 20 30 CHEDLO COc1ccc2oc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2c1 ZINC000612406449 1119782507 /nfs/dbraw/zinc/78/25/07/1119782507.db2.gz MMEXDXWCMLXHQC-KRWDZBQOSA-N 1 2 284.359 3.567 20 30 CHEDLO CC(C)COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406551 1119782496 /nfs/dbraw/zinc/78/24/96/1119782496.db2.gz PPRICHQNRRUTJV-GOSISDBHSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406551 1119782499 /nfs/dbraw/zinc/78/24/99/1119782499.db2.gz PPRICHQNRRUTJV-GOSISDBHSA-N 1 2 286.419 3.847 20 30 CHEDLO COc1ccc2oc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2c1 ZINC000612406449 1119782510 /nfs/dbraw/zinc/78/25/10/1119782510.db2.gz MMEXDXWCMLXHQC-KRWDZBQOSA-N 1 2 284.359 3.567 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1csnn1 ZINC000414304429 1119972796 /nfs/dbraw/zinc/97/27/96/1119972796.db2.gz OSSTVYRJAGKJJL-NHYWBVRUSA-N 1 2 298.415 3.528 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(F)c(F)c3)c[nH+]c12 ZINC000255906430 1119981601 /nfs/dbraw/zinc/98/16/01/1119981601.db2.gz QQDVNRHNVYPKEW-ALCCZGGFSA-N 1 2 298.292 3.817 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1OC(F)(F)F ZINC000903102016 1120069809 /nfs/dbraw/zinc/06/98/09/1120069809.db2.gz PKWADSMHBFGGBX-JTQLQIEISA-N 1 2 284.281 3.540 20 30 CHEDLO CCCc1ccc(CNc2[nH+]cccc2CC#N)cc1 ZINC001168636439 1120114660 /nfs/dbraw/zinc/11/46/60/1120114660.db2.gz NKTBFMGWPFKFKW-UHFFFAOYSA-N 1 2 265.360 3.712 20 30 CHEDLO C=CCOc1ccc(C[NH+]2CC3(CC3)C2)cc1Cl ZINC000449370486 1128894689 /nfs/dbraw/zinc/89/46/89/1128894689.db2.gz KKWPIRHRCLJIRE-UHFFFAOYSA-N 1 2 263.768 3.501 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1ccc(Br)cc1 ZINC000428836139 1120162002 /nfs/dbraw/zinc/16/20/02/1120162002.db2.gz BBIPAGDXZOXERN-LBPRGKRZSA-N 1 2 293.208 3.912 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1ccc(Br)cc1 ZINC000428836139 1120162003 /nfs/dbraw/zinc/16/20/03/1120162003.db2.gz BBIPAGDXZOXERN-LBPRGKRZSA-N 1 2 293.208 3.912 20 30 CHEDLO Cc1cc(C)cc([C@H]([NH2+]CC(C)(C)C#N)c2cccnc2)c1 ZINC000926872798 1120171297 /nfs/dbraw/zinc/17/12/97/1120171297.db2.gz AYNAHZAKUQYHCI-GOSISDBHSA-N 1 2 293.414 3.927 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCC[C@@H]2CCCCO2)c1O ZINC000184306959 1120354288 /nfs/dbraw/zinc/35/42/88/1120354288.db2.gz BMGZJPXLLMOHRO-VUODPORTSA-N 1 2 291.391 3.559 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1C#N ZINC000066852509 1120415369 /nfs/dbraw/zinc/41/53/69/1120415369.db2.gz AICBWSJDUITPNV-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1C#N ZINC000066852509 1120415371 /nfs/dbraw/zinc/41/53/71/1120415371.db2.gz AICBWSJDUITPNV-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1conc1CC)c1ccc(F)c(F)c1 ZINC000660313716 1120493169 /nfs/dbraw/zinc/49/31/69/1120493169.db2.gz ZXEZWVAKCIFIAY-INIZCTEOSA-N 1 2 292.329 3.922 20 30 CHEDLO N#Cc1ncccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000130006939 1120518182 /nfs/dbraw/zinc/51/81/82/1120518182.db2.gz KDIIEYIWVBEKQU-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO Cc1cc(Cl)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000508980488 1120570629 /nfs/dbraw/zinc/57/06/29/1120570629.db2.gz VGWQFDXBWNOANV-GFCCVEGCSA-N 1 2 262.784 3.773 20 30 CHEDLO Cc1cc(Cl)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000508980488 1120570626 /nfs/dbraw/zinc/57/06/26/1120570626.db2.gz VGWQFDXBWNOANV-GFCCVEGCSA-N 1 2 262.784 3.773 20 30 CHEDLO CCc1cnc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000075645761 1120675070 /nfs/dbraw/zinc/67/50/70/1120675070.db2.gz LKZYWEPPEZOMTQ-CYBMUJFWSA-N 1 2 283.375 3.692 20 30 CHEDLO CCc1cnc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000075645761 1120675072 /nfs/dbraw/zinc/67/50/72/1120675072.db2.gz LKZYWEPPEZOMTQ-CYBMUJFWSA-N 1 2 283.375 3.692 20 30 CHEDLO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(C#N)CC1 ZINC000186888060 1120684616 /nfs/dbraw/zinc/68/46/16/1120684616.db2.gz RYTBUGSZTJDCQW-JTQLQIEISA-N 1 2 266.747 3.776 20 30 CHEDLO N#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)nc1 ZINC000030538173 1120700537 /nfs/dbraw/zinc/70/05/37/1120700537.db2.gz LKVHINJJONEOIY-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO N#Cc1csc(CNc2ccc([NH+]3CCCC3)cc2)c1 ZINC000093686725 1120844371 /nfs/dbraw/zinc/84/43/71/1120844371.db2.gz INTLVVHLCZNHQT-UHFFFAOYSA-N 1 2 283.400 3.832 20 30 CHEDLO C=C(C)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662102511 1120876880 /nfs/dbraw/zinc/87/68/80/1120876880.db2.gz WRIPJPJUJFUFSS-ZDUSSCGKSA-N 1 2 266.182 3.772 20 30 CHEDLO C=C(C)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662102511 1120876882 /nfs/dbraw/zinc/87/68/82/1120876882.db2.gz WRIPJPJUJFUFSS-ZDUSSCGKSA-N 1 2 266.182 3.772 20 30 CHEDLO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)[nH+]cc1C(F)(F)F ZINC001167841307 1121055968 /nfs/dbraw/zinc/05/59/68/1121055968.db2.gz TYCGVWCPKIPFSI-XYPYZODXSA-N 1 2 283.297 3.903 20 30 CHEDLO Clc1ccc(C#CC[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000674248788 1121104677 /nfs/dbraw/zinc/10/46/77/1121104677.db2.gz ALXOTHCEIJZPTK-UHFFFAOYSA-N 1 2 297.785 3.586 20 30 CHEDLO Clc1ccc(C#CC[N@H+]2CCOc3ccccc3C2)cc1 ZINC000674248788 1121104680 /nfs/dbraw/zinc/10/46/80/1121104680.db2.gz ALXOTHCEIJZPTK-UHFFFAOYSA-N 1 2 297.785 3.586 20 30 CHEDLO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1F ZINC000429237278 1121164645 /nfs/dbraw/zinc/16/46/45/1121164645.db2.gz OIDMZYKBTXRKRA-UHFFFAOYSA-N 1 2 286.325 3.861 20 30 CHEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345791 1121274589 /nfs/dbraw/zinc/27/45/89/1121274589.db2.gz IDGPIXWPXFZJLM-UHFFFAOYSA-N 1 2 286.766 3.725 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)s1)CC1CC1 ZINC000432749799 1121320674 /nfs/dbraw/zinc/32/06/74/1121320674.db2.gz WFWRGLZFLZGISI-UHFFFAOYSA-N 1 2 288.338 3.893 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(C(F)(F)F)s1)CC1CC1 ZINC000432749799 1121320681 /nfs/dbraw/zinc/32/06/81/1121320681.db2.gz WFWRGLZFLZGISI-UHFFFAOYSA-N 1 2 288.338 3.893 20 30 CHEDLO Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C#N)c1 ZINC001175713164 1121434839 /nfs/dbraw/zinc/43/48/39/1121434839.db2.gz TZRNBANASOQTLI-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Cc1csc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175707593 1121449589 /nfs/dbraw/zinc/44/95/89/1121449589.db2.gz HKFVSWQQHXNBML-UHFFFAOYSA-N 1 2 298.293 3.668 20 30 CHEDLO C=CC[N@@H+](CCOC)Cc1ccc(F)c(Cl)c1Cl ZINC000432928934 1121484647 /nfs/dbraw/zinc/48/46/47/1121484647.db2.gz OQQMJVXMTRRRKQ-UHFFFAOYSA-N 1 2 292.181 3.767 20 30 CHEDLO C=CC[N@H+](CCOC)Cc1ccc(F)c(Cl)c1Cl ZINC000432928934 1121484650 /nfs/dbraw/zinc/48/46/50/1121484650.db2.gz OQQMJVXMTRRRKQ-UHFFFAOYSA-N 1 2 292.181 3.767 20 30 CHEDLO C#Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001175975163 1121509296 /nfs/dbraw/zinc/50/92/96/1121509296.db2.gz KSUJRISXTSIBOD-UHFFFAOYSA-N 1 2 273.339 3.656 20 30 CHEDLO COc1cc[nH+]cc1Nc1oc(-c2ccccc2)cc1C#N ZINC001176118458 1121556394 /nfs/dbraw/zinc/55/63/94/1121556394.db2.gz LEBJQQUOBIWADK-UHFFFAOYSA-N 1 2 291.310 3.965 20 30 CHEDLO COc1cc[nH+]cc1Nc1cc(Cl)c(C)cc1C#N ZINC001176123968 1121558724 /nfs/dbraw/zinc/55/87/24/1121558724.db2.gz LJJCHIZITYHNKV-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO C=CC[N@@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509422650 1121587438 /nfs/dbraw/zinc/58/74/38/1121587438.db2.gz VQNOZPWFDGKWOH-JTQLQIEISA-N 1 2 266.182 3.554 20 30 CHEDLO C=CC[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509422650 1121587444 /nfs/dbraw/zinc/58/74/44/1121587444.db2.gz VQNOZPWFDGKWOH-JTQLQIEISA-N 1 2 266.182 3.554 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000509812664 1121617049 /nfs/dbraw/zinc/61/70/49/1121617049.db2.gz DECDFBVLHTWWAM-GFCCVEGCSA-N 1 2 286.350 3.986 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000509812664 1121617050 /nfs/dbraw/zinc/61/70/50/1121617050.db2.gz DECDFBVLHTWWAM-GFCCVEGCSA-N 1 2 286.350 3.986 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000509827149 1121625152 /nfs/dbraw/zinc/62/51/52/1121625152.db2.gz OCLNVQNPEJMMSY-LBPRGKRZSA-N 1 2 286.350 3.986 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000509827149 1121625154 /nfs/dbraw/zinc/62/51/54/1121625154.db2.gz OCLNVQNPEJMMSY-LBPRGKRZSA-N 1 2 286.350 3.986 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)s1 ZINC000611262748 1121632521 /nfs/dbraw/zinc/63/25/21/1121632521.db2.gz SVWCSBHZQMFPAV-GFCCVEGCSA-N 1 2 284.384 3.575 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000611262748 1121632527 /nfs/dbraw/zinc/63/25/27/1121632527.db2.gz SVWCSBHZQMFPAV-GFCCVEGCSA-N 1 2 284.384 3.575 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000285959117 1121764780 /nfs/dbraw/zinc/76/47/80/1121764780.db2.gz FJMGHIIMZJDLSV-QMTHXVAHSA-N 1 2 277.318 3.656 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1ccn(CC)n1)c1ccc(F)c(F)c1 ZINC001178523955 1121792793 /nfs/dbraw/zinc/79/27/93/1121792793.db2.gz CVGCCWOXNRYNMM-MRXNPFEDSA-N 1 2 291.345 3.588 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cnsc1)c1ccc(F)c(F)c1 ZINC001178524897 1121792977 /nfs/dbraw/zinc/79/29/77/1121792977.db2.gz PQMLMHQWAWPKMO-AWEZNQCLSA-N 1 2 280.343 3.828 20 30 CHEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1F ZINC000730147678 1121794185 /nfs/dbraw/zinc/79/41/85/1121794185.db2.gz IEDYJZVOKZZZFH-UHFFFAOYSA-N 1 2 279.318 3.550 20 30 CHEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000730147929 1121794458 /nfs/dbraw/zinc/79/44/58/1121794458.db2.gz KXNPJJRWOWSOIG-UHFFFAOYSA-N 1 2 275.355 3.883 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C)cc1 ZINC000730148284 1121795065 /nfs/dbraw/zinc/79/50/65/1121795065.db2.gz PNGUPYMNQBKAPE-UHFFFAOYSA-N 1 2 275.355 3.801 20 30 CHEDLO Cc1cc(F)c(C#N)c(NCc2cc(C)[nH+]c(C)c2)c1 ZINC000894238868 1121872791 /nfs/dbraw/zinc/87/27/91/1121872791.db2.gz KBXXSYOPTHLBJM-UHFFFAOYSA-N 1 2 269.323 3.630 20 30 CHEDLO N#Cc1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cs1 ZINC001181213850 1122044146 /nfs/dbraw/zinc/04/41/46/1122044146.db2.gz PSLVBUGMKJVKSE-MRXNPFEDSA-N 1 2 286.375 3.690 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cs1 ZINC001181213850 1122044151 /nfs/dbraw/zinc/04/41/51/1122044151.db2.gz PSLVBUGMKJVKSE-MRXNPFEDSA-N 1 2 286.375 3.690 20 30 CHEDLO C#Cc1cc(Nc2cnc(Cl)c(Cl)c2Cl)cc[nH+]1 ZINC001250197718 1122350664 /nfs/dbraw/zinc/35/06/64/1122350664.db2.gz LKEQHJFRRYUYLB-UHFFFAOYSA-N 1 2 298.560 3.584 20 30 CHEDLO C#C[C@@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)C(C)C ZINC001186295874 1122383195 /nfs/dbraw/zinc/38/31/95/1122383195.db2.gz WLWDEIXZYJLJLI-CYBMUJFWSA-N 1 2 259.397 3.793 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434624965 1122386030 /nfs/dbraw/zinc/38/60/30/1122386030.db2.gz SBBUUDLFNZMNCR-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434624965 1122386036 /nfs/dbraw/zinc/38/60/36/1122386036.db2.gz SBBUUDLFNZMNCR-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c2ccccc12 ZINC000430112771 1122406426 /nfs/dbraw/zinc/40/64/26/1122406426.db2.gz ZFENMVMVOYSVEQ-UHFFFAOYSA-N 1 2 280.371 3.750 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c2ccccc12 ZINC000430112771 1122406430 /nfs/dbraw/zinc/40/64/30/1122406430.db2.gz ZFENMVMVOYSVEQ-UHFFFAOYSA-N 1 2 280.371 3.750 20 30 CHEDLO Cc1cc(NCc2ccc(C)c(C#N)c2)nc(C2CCC2)[nH+]1 ZINC001187568454 1122432626 /nfs/dbraw/zinc/43/26/26/1122432626.db2.gz MJNHNDGBJUBOSZ-UHFFFAOYSA-N 1 2 292.386 3.845 20 30 CHEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000425529889 1122544560 /nfs/dbraw/zinc/54/45/60/1122544560.db2.gz CYJFJELOXOUQGF-LLVKDONJSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)s1 ZINC000425529889 1122544564 /nfs/dbraw/zinc/54/45/64/1122544564.db2.gz CYJFJELOXOUQGF-LLVKDONJSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1ccc(Nc2c(F)cc(C#N)cc2F)c(C)[nH+]1 ZINC000133984822 1122581045 /nfs/dbraw/zinc/58/10/45/1122581045.db2.gz PHLFJNOGCMRBSX-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO COc1ccccc1-c1ccc(C[N@H+](C)CCC#N)cc1 ZINC000157797366 1122594442 /nfs/dbraw/zinc/59/44/42/1122594442.db2.gz MLNGXAPZLVZYQQ-UHFFFAOYSA-N 1 2 280.371 3.708 20 30 CHEDLO COc1ccccc1-c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000157797366 1122594446 /nfs/dbraw/zinc/59/44/46/1122594446.db2.gz MLNGXAPZLVZYQQ-UHFFFAOYSA-N 1 2 280.371 3.708 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(Br)cc1Cl)C1CC1 ZINC001194436234 1122778378 /nfs/dbraw/zinc/77/83/78/1122778378.db2.gz SRNJEYOKJBLPJD-UHFFFAOYSA-N 1 2 298.611 3.700 20 30 CHEDLO C#CC[N@H+](Cc1ccc(Br)cc1Cl)C1CC1 ZINC001194436234 1122778380 /nfs/dbraw/zinc/77/83/80/1122778380.db2.gz SRNJEYOKJBLPJD-UHFFFAOYSA-N 1 2 298.611 3.700 20 30 CHEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439436567 1122779266 /nfs/dbraw/zinc/77/92/66/1122779266.db2.gz IHJWHEQVDXQHIK-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439436567 1122779271 /nfs/dbraw/zinc/77/92/71/1122779271.db2.gz IHJWHEQVDXQHIK-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C#CC[N@@H+](CC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000775609784 1122799413 /nfs/dbraw/zinc/79/94/13/1122799413.db2.gz WOPDPCCOCBFSNQ-UHFFFAOYSA-N 1 2 292.354 3.543 20 30 CHEDLO C#CC[N@H+](CC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000775609784 1122799415 /nfs/dbraw/zinc/79/94/15/1122799415.db2.gz WOPDPCCOCBFSNQ-UHFFFAOYSA-N 1 2 292.354 3.543 20 30 CHEDLO Cn1c2ccccc2[nH+]c1NC=Cc1ccc(C#N)cc1 ZINC001203299006 1122820345 /nfs/dbraw/zinc/82/03/45/1122820345.db2.gz VUMVHYVHDJKSSW-ZHACJKMWSA-N 1 2 274.327 3.528 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Br)o1 ZINC000426560393 1122821889 /nfs/dbraw/zinc/82/18/89/1122821889.db2.gz PPQGBEAPQXXNRG-JTQLQIEISA-N 1 2 270.170 3.583 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)o1 ZINC000426560393 1122821892 /nfs/dbraw/zinc/82/18/92/1122821892.db2.gz PPQGBEAPQXXNRG-JTQLQIEISA-N 1 2 270.170 3.583 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000334311463 1122985291 /nfs/dbraw/zinc/98/52/91/1122985291.db2.gz LLVOCZHCRPDBRZ-UHFFFAOYSA-N 1 2 298.308 3.537 20 30 CHEDLO CN(C)c1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001203930223 1123025811 /nfs/dbraw/zinc/02/58/11/1123025811.db2.gz ORZAXYJCCLWWAT-UHFFFAOYSA-N 1 2 293.414 3.668 20 30 CHEDLO CN(C)c1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001203930223 1123025816 /nfs/dbraw/zinc/02/58/16/1123025816.db2.gz ORZAXYJCCLWWAT-UHFFFAOYSA-N 1 2 293.414 3.668 20 30 CHEDLO CC(C)[NH2+]c1ccc(-n2cc(C#N)c3ccc(N)cc32)cc1 ZINC001201498893 1123111715 /nfs/dbraw/zinc/11/17/15/1123111715.db2.gz GEKSBGORTXRAMW-UHFFFAOYSA-N 1 2 290.370 3.905 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001201567142 1123125720 /nfs/dbraw/zinc/12/57/20/1123125720.db2.gz XPWFTITZWSHKBG-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO CC[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H](C)C#N ZINC000093938810 1123426496 /nfs/dbraw/zinc/42/64/96/1123426496.db2.gz TWULXZOVRKSAIB-JTQLQIEISA-N 1 2 299.187 3.570 20 30 CHEDLO CC[N@H+](Cc1cc(F)cc(Br)c1)C[C@@H](C)C#N ZINC000093938810 1123426498 /nfs/dbraw/zinc/42/64/98/1123426498.db2.gz TWULXZOVRKSAIB-JTQLQIEISA-N 1 2 299.187 3.570 20 30 CHEDLO Cc1[nH+]cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)n1C ZINC000853294350 1123432350 /nfs/dbraw/zinc/43/23/50/1123432350.db2.gz MSVSGPCNWNEMPV-CYBMUJFWSA-N 1 2 284.407 3.537 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C2CC2)sc1=S ZINC000853598132 1123444221 /nfs/dbraw/zinc/44/42/21/1123444221.db2.gz LNFVTLSORDWAHE-TXEJJXNPSA-N 1 2 293.461 3.692 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C2CC2)sc1=S ZINC000853598132 1123444223 /nfs/dbraw/zinc/44/42/23/1123444223.db2.gz LNFVTLSORDWAHE-TXEJJXNPSA-N 1 2 293.461 3.692 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCC1(SCC)CC1 ZINC000853904162 1123461913 /nfs/dbraw/zinc/46/19/13/1123461913.db2.gz SCKBRVKEBWRCQI-UHFFFAOYSA-N 1 2 290.432 3.571 20 30 CHEDLO CCc1cc(N2CCC[C@H](C#N)C2)c2ccccc2[nH+]1 ZINC000895650747 1123499724 /nfs/dbraw/zinc/49/97/24/1123499724.db2.gz NHFAHYWTETUJSF-CYBMUJFWSA-N 1 2 265.360 3.537 20 30 CHEDLO C=C(Cl)CSCc1[nH+]cc(C)c(OC)c1C ZINC000776895876 1123565652 /nfs/dbraw/zinc/56/56/52/1123565652.db2.gz HJYARNNYZCLDLA-UHFFFAOYSA-N 1 2 257.786 3.693 20 30 CHEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857974367 1123627716 /nfs/dbraw/zinc/62/77/16/1123627716.db2.gz GTNWNWNNYPKOKZ-LSDHHAIUSA-N 1 2 291.439 3.831 20 30 CHEDLO CCCCCCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991028 1123627897 /nfs/dbraw/zinc/62/78/97/1123627897.db2.gz YWFHWMOSOVGPFO-AWEZNQCLSA-N 1 2 277.412 3.585 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015721 1123628453 /nfs/dbraw/zinc/62/84/53/1123628453.db2.gz ZZHRLWXOBBGMPM-OAHLLOKOSA-N 1 2 292.810 3.555 20 30 CHEDLO C=C(Cl)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015721 1123628459 /nfs/dbraw/zinc/62/84/59/1123628459.db2.gz ZZHRLWXOBBGMPM-OAHLLOKOSA-N 1 2 292.810 3.555 20 30 CHEDLO Cc1cc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)c(C)o1 ZINC000428352694 1123991394 /nfs/dbraw/zinc/99/13/94/1123991394.db2.gz QQCWOXQDVYELPN-NSHDSACASA-N 1 2 272.323 3.758 20 30 CHEDLO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866239725 1124040930 /nfs/dbraw/zinc/04/09/30/1124040930.db2.gz XIGXGTHEVSVBCK-NEPJUHHUSA-N 1 2 286.400 3.607 20 30 CHEDLO CCc1ccccc1CC[N@H+](CC#N)C1CCCC1 ZINC000444645401 1124046361 /nfs/dbraw/zinc/04/63/61/1124046361.db2.gz ZNZLSLUAWRWXBJ-UHFFFAOYSA-N 1 2 256.393 3.560 20 30 CHEDLO CCc1ccccc1CC[N@@H+](CC#N)C1CCCC1 ZINC000444645401 1124046367 /nfs/dbraw/zinc/04/63/67/1124046367.db2.gz ZNZLSLUAWRWXBJ-UHFFFAOYSA-N 1 2 256.393 3.560 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866294034 1124048311 /nfs/dbraw/zinc/04/83/11/1124048311.db2.gz JRBOUIJOPXRQOW-PIGZYNQJSA-N 1 2 296.345 3.741 20 30 CHEDLO Cc1cccc(C)c1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866305023 1124049089 /nfs/dbraw/zinc/04/90/89/1124049089.db2.gz CKMMVJOJRRHEIB-AWEZNQCLSA-N 1 2 280.371 3.732 20 30 CHEDLO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866311133 1124050293 /nfs/dbraw/zinc/05/02/93/1124050293.db2.gz KRKMUVPIOILUNN-STQMWFEESA-N 1 2 295.386 3.633 20 30 CHEDLO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1cccc(C#N)c1O ZINC000866317932 1124052409 /nfs/dbraw/zinc/05/24/09/1124052409.db2.gz KWNZJFCBRMPZPM-AWEZNQCLSA-N 1 2 292.382 3.994 20 30 CHEDLO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000866355342 1124056646 /nfs/dbraw/zinc/05/66/46/1124056646.db2.gz WUWKZCXHHMZKRH-NSHDSACASA-N 1 2 294.345 3.740 20 30 CHEDLO C=CC[C@H]1[N@H+](Cc2nnc(OCC)s2)CCCC1(C)C ZINC000444774245 1124062665 /nfs/dbraw/zinc/06/26/65/1124062665.db2.gz HYTIXOTYCFRWAH-GFCCVEGCSA-N 1 2 295.452 3.504 20 30 CHEDLO C=CC[C@H]1[N@@H+](Cc2nnc(OCC)s2)CCCC1(C)C ZINC000444774245 1124062670 /nfs/dbraw/zinc/06/26/70/1124062670.db2.gz HYTIXOTYCFRWAH-GFCCVEGCSA-N 1 2 295.452 3.504 20 30 CHEDLO C=CC[NH+](CC=C)Cc1c(C)cc(F)cc1Cl ZINC001238785370 1131247392 /nfs/dbraw/zinc/24/73/92/1131247392.db2.gz PRFVYHXQCSRJAA-UHFFFAOYSA-N 1 2 253.748 3.962 20 30 CHEDLO CC(C)c1ocnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC001119294341 1131250688 /nfs/dbraw/zinc/25/06/88/1131250688.db2.gz TZUTWJHRRNJGLL-GFCCVEGCSA-N 1 2 269.348 3.520 20 30 CHEDLO CC1CCC(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000447904520 1124543277 /nfs/dbraw/zinc/54/32/77/1124543277.db2.gz QMFGIVYDRLRQFN-HIEASXQVSA-N 1 2 290.451 3.740 20 30 CHEDLO CC1CCC(C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000447904520 1124543281 /nfs/dbraw/zinc/54/32/81/1124543281.db2.gz QMFGIVYDRLRQFN-HIEASXQVSA-N 1 2 290.451 3.740 20 30 CHEDLO C=CCCCC[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000449317174 1124692042 /nfs/dbraw/zinc/69/20/42/1124692042.db2.gz BPCHFTXSAAMBBH-HNNXBMFYSA-N 1 2 284.407 3.873 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(-c2cnc(C#N)c(F)c2)c1 ZINC001238996285 1131288918 /nfs/dbraw/zinc/28/89/18/1131288918.db2.gz VFFBAZVXCLRTCW-UHFFFAOYSA-N 1 2 283.350 3.914 20 30 CHEDLO Nc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000821038846 1131317296 /nfs/dbraw/zinc/31/72/96/1131317296.db2.gz NDMWWVFPJPOHRE-LREOWRDNSA-N 1 2 292.260 3.579 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccsc1C(F)(F)F ZINC000529544630 1124988947 /nfs/dbraw/zinc/98/89/47/1124988947.db2.gz UGWAOWXUAUNIII-VIFPVBQESA-N 1 2 262.300 3.549 20 30 CHEDLO Cc1ccc(Br)c(F)c1C[NH2+]CC(C)(C)C#N ZINC000877323047 1125021686 /nfs/dbraw/zinc/02/16/86/1125021686.db2.gz HCDNPDWPICUPQN-UHFFFAOYSA-N 1 2 299.187 3.536 20 30 CHEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC2(C#N)CCC2)s1 ZINC000450434410 1125023391 /nfs/dbraw/zinc/02/33/91/1125023391.db2.gz MSVWYANJMFVOCJ-LBPRGKRZSA-N 1 2 277.437 3.701 20 30 CHEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC2(C#N)CCC2)s1 ZINC000450434410 1125023402 /nfs/dbraw/zinc/02/34/02/1125023402.db2.gz MSVWYANJMFVOCJ-LBPRGKRZSA-N 1 2 277.437 3.701 20 30 CHEDLO N#CCC[N@@H+](CCc1ccc(Cl)cc1)Cc1cccnc1 ZINC000450490509 1125044340 /nfs/dbraw/zinc/04/43/40/1125044340.db2.gz ZOYVFMVTWJJKAH-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO N#CCC[N@H+](CCc1ccc(Cl)cc1)Cc1cccnc1 ZINC000450490509 1125044347 /nfs/dbraw/zinc/04/43/47/1125044347.db2.gz ZOYVFMVTWJJKAH-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(OC(F)F)cc2F)CCCC1 ZINC000877608946 1125052769 /nfs/dbraw/zinc/05/27/69/1125052769.db2.gz AGWYWDOQZPBVRT-UHFFFAOYSA-N 1 2 298.308 3.601 20 30 CHEDLO C=CCCN(Cc1[nH]c(C)c(C)[nH+]1)OCc1ccccc1 ZINC000878483199 1125156423 /nfs/dbraw/zinc/15/64/23/1125156423.db2.gz HZFGDXOJYFFRGW-UHFFFAOYSA-N 1 2 285.391 3.536 20 30 CHEDLO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)CC#N)c2cc1C(C)C ZINC000878818112 1125180758 /nfs/dbraw/zinc/18/07/58/1125180758.db2.gz LDXSMNNOGRPHHP-ZDUSSCGKSA-N 1 2 298.386 3.617 20 30 CHEDLO CC(C)c1nnc(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)s1 ZINC000025790939 1125225123 /nfs/dbraw/zinc/22/51/23/1125225123.db2.gz FTLGXEDQHRBWAO-QWRGUYRKSA-N 1 2 296.440 3.512 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000532090291 1125233236 /nfs/dbraw/zinc/23/32/36/1125233236.db2.gz WXAWDNPCFRAGRH-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000532090291 1125233241 /nfs/dbraw/zinc/23/32/41/1125233241.db2.gz WXAWDNPCFRAGRH-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CC(C)c1c[nH]c(C[NH2+][C@H](CCC#N)c2ccccc2)n1 ZINC000883073632 1125370879 /nfs/dbraw/zinc/37/08/79/1125370879.db2.gz WNCUTPSXCRSCFK-OAHLLOKOSA-N 1 2 282.391 3.668 20 30 CHEDLO CC(C)c1c[nH]c(C[NH2+][C@@H](CCC#N)c2ccccc2)n1 ZINC000883073631 1125370913 /nfs/dbraw/zinc/37/09/13/1125370913.db2.gz WNCUTPSXCRSCFK-HNNXBMFYSA-N 1 2 282.391 3.668 20 30 CHEDLO Cc1ccccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001239504124 1131351836 /nfs/dbraw/zinc/35/18/36/1131351836.db2.gz UKRQUUAOGWUJHT-XDHOZWIPSA-N 1 2 263.344 3.755 20 30 CHEDLO Cc1cc(N[C@@H]2CCc3ccc(C#N)cc32)c[nH+]c1C ZINC000883342661 1125398458 /nfs/dbraw/zinc/39/84/58/1125398458.db2.gz HIYLDYFMHCSGIH-QGZVFWFLSA-N 1 2 263.344 3.670 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCC[C@H]2CCCCO2)c1O ZINC000184306984 1129182039 /nfs/dbraw/zinc/18/20/39/1129182039.db2.gz BMGZJPXLLMOHRO-COYFKBPASA-N 1 2 291.391 3.559 20 30 CHEDLO CC(C)(C/[NH+]=C/c1ccccc1O)c1cccs1 ZINC000733903218 1129283148 /nfs/dbraw/zinc/28/31/48/1129283148.db2.gz IVJXSGZAWBEPMZ-MHWRWJLKSA-N 1 2 259.374 3.850 20 30 CHEDLO C=CCC1([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCCC1 ZINC000639322920 1129302684 /nfs/dbraw/zinc/30/26/84/1129302684.db2.gz ZPHMLAMILOWHCE-OAHLLOKOSA-N 1 2 288.439 3.905 20 30 CHEDLO CC(C)(C/[NH+]=C/c1cccc(O)c1O)Cc1ccccc1 ZINC000735229284 1129336175 /nfs/dbraw/zinc/33/61/75/1129336175.db2.gz XUQIFRVBIRWCOF-XDHOZWIPSA-N 1 2 283.371 3.786 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)c2ccc(C)cc2)c1 ZINC000737440209 1129447838 /nfs/dbraw/zinc/44/78/38/1129447838.db2.gz FPJLVTARBUCNQF-BXUJETTOSA-N 1 2 283.371 3.932 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)o1 ZINC000737444531 1129449483 /nfs/dbraw/zinc/44/94/83/1129449483.db2.gz SNTDOKDFKZHHEY-SNAWJCMRSA-N 1 2 286.718 3.785 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000796048750 1129465376 /nfs/dbraw/zinc/46/53/76/1129465376.db2.gz BXVHVXSBIYBRJC-CYBMUJFWSA-N 1 2 270.401 3.572 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000796048750 1129465378 /nfs/dbraw/zinc/46/53/78/1129465378.db2.gz BXVHVXSBIYBRJC-CYBMUJFWSA-N 1 2 270.401 3.572 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000766666598 1129723151 /nfs/dbraw/zinc/72/31/51/1129723151.db2.gz XFBHBXWQIAHFRS-VIFPVBQESA-N 1 2 280.780 3.528 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000766666598 1129723153 /nfs/dbraw/zinc/72/31/53/1129723153.db2.gz XFBHBXWQIAHFRS-VIFPVBQESA-N 1 2 280.780 3.528 20 30 CHEDLO C#C[C@@](C)(CC)Nc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001169698002 1129748147 /nfs/dbraw/zinc/74/81/47/1129748147.db2.gz PVAMFUIFMFJJOX-ZDUSSCGKSA-N 1 2 292.180 3.539 20 30 CHEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(C(C)C)cc2)nn1 ZINC000653489983 1129781810 /nfs/dbraw/zinc/78/18/10/1129781810.db2.gz OSUNQARIPJDFPM-UHFFFAOYSA-N 1 2 298.434 3.610 20 30 CHEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(C(C)C)cc2)nn1 ZINC000653489983 1129781811 /nfs/dbraw/zinc/78/18/11/1129781811.db2.gz OSUNQARIPJDFPM-UHFFFAOYSA-N 1 2 298.434 3.610 20 30 CHEDLO C=CC[N@@H+](C/C=C(\C)C(=O)OC)Cc1ccc(Cl)s1 ZINC000746493920 1129831131 /nfs/dbraw/zinc/83/11/31/1129831131.db2.gz LHVISLORMMACMH-YRNVUSSQSA-N 1 2 299.823 3.509 20 30 CHEDLO C=CC[N@H+](C/C=C(\C)C(=O)OC)Cc1ccc(Cl)s1 ZINC000746493920 1129831133 /nfs/dbraw/zinc/83/11/33/1129831133.db2.gz LHVISLORMMACMH-YRNVUSSQSA-N 1 2 299.823 3.509 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCc1cccc2[nH]ccc21 ZINC000800721084 1129885890 /nfs/dbraw/zinc/88/58/90/1129885890.db2.gz JMAADVGRKORLLL-LDADJPATSA-N 1 2 264.328 3.535 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(/C=C/c2ccccc2)cc1C#N ZINC001239592837 1131404825 /nfs/dbraw/zinc/40/48/25/1131404825.db2.gz CEKKOFYITXKSCI-JWEYOLHDSA-N 1 2 275.355 3.950 20 30 CHEDLO Cc1ccc(C)c(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000769608564 1129919395 /nfs/dbraw/zinc/91/93/95/1129919395.db2.gz VAGLBCLWIINCHO-HJWRWDBZSA-N 1 2 276.339 3.847 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc2c(s1)CCC2 ZINC000769614451 1129919641 /nfs/dbraw/zinc/91/96/41/1129919641.db2.gz JISNQFPABUXWGF-BQYQJAHWSA-N 1 2 294.379 3.781 20 30 CHEDLO Cc1ccccc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901430164 1129924309 /nfs/dbraw/zinc/92/43/09/1129924309.db2.gz IWPMEQYKCRKIDK-CMDGGOBGSA-N 1 2 254.333 3.669 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(cccc2Cl)C1=O ZINC000901466802 1129927279 /nfs/dbraw/zinc/92/72/79/1129927279.db2.gz AEGIRZPCOJBFQX-WDZFZDKYSA-N 1 2 286.762 3.940 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 ZINC000901488827 1129930101 /nfs/dbraw/zinc/93/01/01/1129930101.db2.gz INUCIBBWFXUNCX-CIKBWMHTSA-N 1 2 278.355 3.603 20 30 CHEDLO Cc1[nH]c(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)[nH+]c1C ZINC000901488803 1129930320 /nfs/dbraw/zinc/93/03/20/1129930320.db2.gz HUDXSCPIKKAIPH-NCPSJORJSA-N 1 2 278.355 3.726 20 30 CHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c(C)c1 ZINC000901520895 1129933115 /nfs/dbraw/zinc/93/31/15/1129933115.db2.gz ZOVASRSEDVNQDT-YVMONPNESA-N 1 2 284.359 3.677 20 30 CHEDLO C#CCOc1ccc(CNc2ccc([NH+](C)C)cc2C)cc1 ZINC000770482347 1129949938 /nfs/dbraw/zinc/94/99/38/1129949938.db2.gz VDHBGJICJKGTGP-UHFFFAOYSA-N 1 2 294.398 3.685 20 30 CHEDLO Oc1cccc(/C=[NH+]\CC2(Cc3ccccc3)CC2)c1O ZINC000771835897 1129990320 /nfs/dbraw/zinc/99/03/20/1129990320.db2.gz GQJDQLAIKAQNPU-UNOMPAQXSA-N 1 2 281.355 3.540 20 30 CHEDLO CCC(CC)c1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)on1 ZINC000902820852 1130062459 /nfs/dbraw/zinc/06/24/59/1130062459.db2.gz UHYRFDGSNSHNFM-LBPRGKRZSA-N 1 2 298.390 3.696 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1OC(F)F ZINC000903030463 1130102127 /nfs/dbraw/zinc/10/21/27/1130102127.db2.gz CBURZSQMFJVGPT-SNVBAGLBSA-N 1 2 298.308 3.772 20 30 CHEDLO CC(C)(C#N)c1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240219857 1130238733 /nfs/dbraw/zinc/23/87/33/1130238733.db2.gz XTBIKCJPLLIATF-UHFFFAOYSA-N 1 2 261.328 3.802 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000749115882 1130265613 /nfs/dbraw/zinc/26/56/13/1130265613.db2.gz UOUSVWQZZBWLNR-GXFFZTMASA-N 1 2 266.182 3.588 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000749115882 1130265615 /nfs/dbraw/zinc/26/56/15/1130265615.db2.gz UOUSVWQZZBWLNR-GXFFZTMASA-N 1 2 266.182 3.588 20 30 CHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2cccc(F)c2)cn1 ZINC000790159855 1130292657 /nfs/dbraw/zinc/29/26/57/1130292657.db2.gz NBORXEDBBCDILW-UHFFFAOYSA-N 1 2 286.354 3.511 20 30 CHEDLO C=C[C@](C)(CC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791459820 1130377653 /nfs/dbraw/zinc/37/76/53/1130377653.db2.gz UWVVMOJBSBTXHB-GOSISDBHSA-N 1 2 298.386 3.826 20 30 CHEDLO C=C(Br)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792934525 1130508620 /nfs/dbraw/zinc/50/86/20/1130508620.db2.gz XIMISZADVKPDSD-UHFFFAOYSA-N 1 2 286.135 3.559 20 30 CHEDLO COc1cccc(/C=[NH+]/CCc2c[nH]c3ccccc23)c1O ZINC000005287749 1130550664 /nfs/dbraw/zinc/55/06/64/1130550664.db2.gz PPSXAKRYBMPSBE-YBFXNURJSA-N 1 2 294.354 3.544 20 30 CHEDLO C#CC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)c1ccccc1 ZINC000782150608 1130756740 /nfs/dbraw/zinc/75/67/40/1130756740.db2.gz NYSONPIMJXXGPB-KRWDZBQOSA-N 1 2 291.398 3.840 20 30 CHEDLO Cc1ccccc1C[N@@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235657161 1130763381 /nfs/dbraw/zinc/76/33/81/1130763381.db2.gz MSYJHXUMKABVQU-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccccc1C[N@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235657161 1130763386 /nfs/dbraw/zinc/76/33/86/1130763386.db2.gz MSYJHXUMKABVQU-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1ccc(N)cc1C ZINC000783880406 1130860979 /nfs/dbraw/zinc/86/09/79/1130860979.db2.gz HZFJHJNKEARFAS-UHFFFAOYSA-N 1 2 298.777 3.938 20 30 CHEDLO CCC(=[NH+]Nc1cccc([N+](=O)[O-])c1C)c1cccc(N)c1 ZINC000814834232 1130921795 /nfs/dbraw/zinc/92/17/95/1130921795.db2.gz VEXAWVQQBNOIPA-UHFFFAOYSA-N 1 2 298.346 3.712 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237009922 1131036079 /nfs/dbraw/zinc/03/60/79/1131036079.db2.gz WEQATVBGBJBZCZ-ZDUSSCGKSA-N 1 2 297.789 3.747 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237009922 1131036081 /nfs/dbraw/zinc/03/60/81/1131036081.db2.gz WEQATVBGBJBZCZ-ZDUSSCGKSA-N 1 2 297.789 3.747 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001237350544 1131087937 /nfs/dbraw/zinc/08/79/37/1131087937.db2.gz OKKCUQWXVDXFJG-CYBMUJFWSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001237350544 1131087938 /nfs/dbraw/zinc/08/79/38/1131087938.db2.gz OKKCUQWXVDXFJG-CYBMUJFWSA-N 1 2 262.784 3.692 20 30 CHEDLO CCc1cccc(C)c1N[NH+]=Cc1cnc(N(C)C)s1 ZINC000799493798 1131090432 /nfs/dbraw/zinc/09/04/32/1131090432.db2.gz PXBYLEXPQTUCBQ-UHFFFAOYSA-N 1 2 288.420 3.526 20 30 CHEDLO C=CC[N@H+](Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237449936 1131098342 /nfs/dbraw/zinc/09/83/42/1131098342.db2.gz OHKUMLIAUTZBBW-UHFFFAOYSA-N 1 2 277.371 3.523 20 30 CHEDLO C=CC[N@@H+](Cc1cc2ccccn2n1)Cc1ccccc1 ZINC001237449936 1131098348 /nfs/dbraw/zinc/09/83/48/1131098348.db2.gz OHKUMLIAUTZBBW-UHFFFAOYSA-N 1 2 277.371 3.523 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(F)cc1F ZINC001237526198 1131110268 /nfs/dbraw/zinc/11/02/68/1131110268.db2.gz MIIQAGZAMSFZOV-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(F)cc1F ZINC001237526198 1131110271 /nfs/dbraw/zinc/11/02/71/1131110271.db2.gz MIIQAGZAMSFZOV-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)oc1C ZINC000799895795 1131113511 /nfs/dbraw/zinc/11/35/11/1131113511.db2.gz DQHKCXGNTSZZDJ-VOTSOKGWSA-N 1 2 280.327 3.749 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238068971 1131167085 /nfs/dbraw/zinc/16/70/85/1131167085.db2.gz JDPRXWRYEHVGQN-SFHVURJKSA-N 1 2 298.430 3.991 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001238068971 1131167087 /nfs/dbraw/zinc/16/70/87/1131167087.db2.gz JDPRXWRYEHVGQN-SFHVURJKSA-N 1 2 298.430 3.991 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCCC1(O)CCC1 ZINC000817707813 1131176884 /nfs/dbraw/zinc/17/68/84/1131176884.db2.gz ODUQCDFYRZCXCS-UYRXBGFRSA-N 1 2 283.371 3.660 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCc3ccsc3C2)ccc1Cl ZINC001238193492 1131179817 /nfs/dbraw/zinc/17/98/17/1131179817.db2.gz DRQNFJWBVRXFAY-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCc3ccsc3C2)ccc1Cl ZINC001238193492 1131179821 /nfs/dbraw/zinc/17/98/21/1131179821.db2.gz DRQNFJWBVRXFAY-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(OC(C)C)c1F ZINC001238533930 1131214053 /nfs/dbraw/zinc/21/40/53/1131214053.db2.gz XVDBYIPLAPZYEO-UHFFFAOYSA-N 1 2 281.346 3.926 20 30 CHEDLO CCCCCCC[N@H+](C)Cc1cccc(F)c1O ZINC001138127918 1131470383 /nfs/dbraw/zinc/47/03/83/1131470383.db2.gz VNXWCTLFVDRQTD-UHFFFAOYSA-N 1 2 253.361 3.934 20 30 CHEDLO CCCCCCC[N@@H+](C)Cc1cccc(F)c1O ZINC001138127918 1131470386 /nfs/dbraw/zinc/47/03/86/1131470386.db2.gz VNXWCTLFVDRQTD-UHFFFAOYSA-N 1 2 253.361 3.934 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001139023258 1131573745 /nfs/dbraw/zinc/57/37/45/1131573745.db2.gz SUADEWMPILHFIA-NSHDSACASA-N 1 2 274.414 3.822 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001139023258 1131573748 /nfs/dbraw/zinc/57/37/48/1131573748.db2.gz SUADEWMPILHFIA-NSHDSACASA-N 1 2 274.414 3.822 20 30 CHEDLO Fc1cc(Cl)cc(F)c1C[NH+]1CCC(S)CC1 ZINC001139053291 1131577346 /nfs/dbraw/zinc/57/73/46/1131577346.db2.gz DSJMISPINBOWFN-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)c1 ZINC001144080207 1131582130 /nfs/dbraw/zinc/58/21/30/1131582130.db2.gz YDLRSLQJNIQJKL-GOSISDBHSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)c1 ZINC001144080207 1131582133 /nfs/dbraw/zinc/58/21/33/1131582133.db2.gz YDLRSLQJNIQJKL-GOSISDBHSA-N 1 2 295.361 3.820 20 30 CHEDLO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001139179120 1131591938 /nfs/dbraw/zinc/59/19/38/1131591938.db2.gz GKUSVFJLDLTZJE-LBPRGKRZSA-N 1 2 294.830 3.531 20 30 CHEDLO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001139179120 1131591943 /nfs/dbraw/zinc/59/19/43/1131591943.db2.gz GKUSVFJLDLTZJE-LBPRGKRZSA-N 1 2 294.830 3.531 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139502707 1131611673 /nfs/dbraw/zinc/61/16/73/1131611673.db2.gz UBFPPDKGAJMCNF-MRXNPFEDSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139502707 1131611678 /nfs/dbraw/zinc/61/16/78/1131611678.db2.gz UBFPPDKGAJMCNF-MRXNPFEDSA-N 1 2 283.400 3.546 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1C ZINC001139885539 1131646480 /nfs/dbraw/zinc/64/64/80/1131646480.db2.gz RCBCYTOLZOBBSC-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1C ZINC001139885539 1131646482 /nfs/dbraw/zinc/64/64/82/1131646482.db2.gz RCBCYTOLZOBBSC-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO C=C(C)CC[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000845866259 1131664176 /nfs/dbraw/zinc/66/41/76/1131664176.db2.gz NRUGQZAZGLOQFA-OAHLLOKOSA-N 1 2 298.386 3.833 20 30 CHEDLO C=CC[C@H]1CC[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000845914554 1131668063 /nfs/dbraw/zinc/66/80/63/1131668063.db2.gz ZMYLREYQNUFQMJ-RDJZCZTQSA-N 1 2 286.419 3.680 20 30 CHEDLO C=C[C@@H](Oc1cc2c(cc1OC)CC[NH+]=C2)c1ccccc1 ZINC001228093378 1131808425 /nfs/dbraw/zinc/80/84/25/1131808425.db2.gz XWFVQJXNIHLPJU-QGZVFWFLSA-N 1 2 293.366 3.976 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001140589585 1131814045 /nfs/dbraw/zinc/81/40/45/1131814045.db2.gz OQUSYXXHSNPIHU-SECBINFHSA-N 1 2 274.216 3.900 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC001140589585 1131814053 /nfs/dbraw/zinc/81/40/53/1131814053.db2.gz OQUSYXXHSNPIHU-SECBINFHSA-N 1 2 274.216 3.900 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)Cc2ccccc2)cc(C)c1O ZINC001140654927 1131849971 /nfs/dbraw/zinc/84/99/71/1131849971.db2.gz LKVFWWXVIUMBFU-UHFFFAOYSA-N 1 2 294.398 3.925 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)Cc2ccccc2)cc(C)c1O ZINC001140654927 1131849980 /nfs/dbraw/zinc/84/99/80/1131849980.db2.gz LKVFWWXVIUMBFU-UHFFFAOYSA-N 1 2 294.398 3.925 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCc3ccsc3C2)c1Cl ZINC001140811528 1131931716 /nfs/dbraw/zinc/93/17/16/1131931716.db2.gz TZHVVYCHPRDEBB-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCc3ccsc3C2)c1Cl ZINC001140811528 1131931718 /nfs/dbraw/zinc/93/17/18/1131931718.db2.gz TZHVVYCHPRDEBB-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171411176 1131979818 /nfs/dbraw/zinc/97/98/18/1131979818.db2.gz FXOFIXKPKYJZMR-CQSZACIVSA-N 1 2 273.326 3.970 20 30 CHEDLO CC1(C)CCc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc2O1 ZINC001141183547 1132036713 /nfs/dbraw/zinc/03/67/13/1132036713.db2.gz LWGRZOQPRMBPRD-HNNXBMFYSA-N 1 2 284.403 3.526 20 30 CHEDLO CC1(C)CCc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc2O1 ZINC001141183547 1132036720 /nfs/dbraw/zinc/03/67/20/1132036720.db2.gz LWGRZOQPRMBPRD-HNNXBMFYSA-N 1 2 284.403 3.526 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287564 1132071665 /nfs/dbraw/zinc/07/16/65/1132071665.db2.gz HXBLRUGEORGXTK-UHFFFAOYSA-N 1 2 291.354 3.696 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287564 1132071672 /nfs/dbraw/zinc/07/16/72/1132071672.db2.gz HXBLRUGEORGXTK-UHFFFAOYSA-N 1 2 291.354 3.696 20 30 CHEDLO N#CC[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001229953648 1132135759 /nfs/dbraw/zinc/13/57/59/1132135759.db2.gz CJMNKIYAHYUHCP-SFHVURJKSA-N 1 2 289.338 3.906 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001172314596 1132156149 /nfs/dbraw/zinc/15/61/49/1132156149.db2.gz KSHFULBPGCLKHL-SWLSCSKDSA-N 1 2 296.336 3.558 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001172314596 1132156151 /nfs/dbraw/zinc/15/61/51/1132156151.db2.gz KSHFULBPGCLKHL-SWLSCSKDSA-N 1 2 296.336 3.558 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CC1(c2ccccc2)CCC1 ZINC000839388586 1132205680 /nfs/dbraw/zinc/20/56/80/1132205680.db2.gz KDUAUWSJHOZRNG-UYRXBGFRSA-N 1 2 265.356 3.933 20 30 CHEDLO CCCCCCCCOC(=O)C[NH2+][C@@H](C)CCCC#N ZINC001172483003 1132229823 /nfs/dbraw/zinc/22/98/23/1132229823.db2.gz BRZAYHGEEKJRQW-HNNXBMFYSA-N 1 2 282.428 3.562 20 30 CHEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001172503683 1132252766 /nfs/dbraw/zinc/25/27/66/1132252766.db2.gz ZQPYLHVRBJXSQD-KGLIPLIRSA-N 1 2 289.485 3.577 20 30 CHEDLO N#C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(F)c1 ZINC001231085702 1132255034 /nfs/dbraw/zinc/25/50/34/1132255034.db2.gz XXTILFFNUFFEOS-INIZCTEOSA-N 1 2 293.301 3.859 20 30 CHEDLO C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894400 1132265374 /nfs/dbraw/zinc/26/53/74/1132265374.db2.gz IMQJZGDWVMBOJQ-NSHDSACASA-N 1 2 293.208 3.553 20 30 CHEDLO C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894400 1132265379 /nfs/dbraw/zinc/26/53/79/1132265379.db2.gz IMQJZGDWVMBOJQ-NSHDSACASA-N 1 2 293.208 3.553 20 30 CHEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172579067 1132284403 /nfs/dbraw/zinc/28/44/03/1132284403.db2.gz VICVNSOIXAGNJE-MNOVXSKESA-N 1 2 298.764 3.785 20 30 CHEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@@H](C#N)C1 ZINC001172579067 1132284412 /nfs/dbraw/zinc/28/44/12/1132284412.db2.gz VICVNSOIXAGNJE-MNOVXSKESA-N 1 2 298.764 3.785 20 30 CHEDLO Cc1cc(O)c(C[N@@H+](CCC#N)CC(C)C)c(Cl)c1 ZINC000840908052 1132307383 /nfs/dbraw/zinc/30/73/83/1132307383.db2.gz NWIIKSBKDTUXQD-UHFFFAOYSA-N 1 2 280.799 3.726 20 30 CHEDLO Cc1cc(O)c(C[N@H+](CCC#N)CC(C)C)c(Cl)c1 ZINC000840908052 1132307389 /nfs/dbraw/zinc/30/73/89/1132307389.db2.gz NWIIKSBKDTUXQD-UHFFFAOYSA-N 1 2 280.799 3.726 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115045 1132327995 /nfs/dbraw/zinc/32/79/95/1132327995.db2.gz VEYHBWXNRDISEA-JTQLQIEISA-N 1 2 284.186 3.544 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142115045 1132328001 /nfs/dbraw/zinc/32/80/01/1132328001.db2.gz VEYHBWXNRDISEA-JTQLQIEISA-N 1 2 284.186 3.544 20 30 CHEDLO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001231739575 1132354646 /nfs/dbraw/zinc/35/46/46/1132354646.db2.gz UVLXUBUSCWJGSF-OAHLLOKOSA-N 1 2 294.398 3.972 20 30 CHEDLO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](C#N)C1 ZINC001231739575 1132354655 /nfs/dbraw/zinc/35/46/55/1132354655.db2.gz UVLXUBUSCWJGSF-OAHLLOKOSA-N 1 2 294.398 3.972 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC001212693107 1132363200 /nfs/dbraw/zinc/36/32/00/1132363200.db2.gz CWMPVYPTZOLXMM-UHFFFAOYSA-N 1 2 294.383 3.917 20 30 CHEDLO N#Cc1cccc(F)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695815 1132375813 /nfs/dbraw/zinc/37/58/13/1132375813.db2.gz TVGOWXYRHRXPPV-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO CC([NH2+]Nc1nnc(-c2ccccc2)s1)=C1CC1(F)F ZINC000841641681 1132380597 /nfs/dbraw/zinc/38/05/97/1132380597.db2.gz ZNUYYJUFZYYFSJ-JTQLQIEISA-N 1 2 294.330 3.648 20 30 CHEDLO N#CCC[N@@H+](Cc1ccnc(C(F)F)c1)C1CCCC1 ZINC001231891589 1132394896 /nfs/dbraw/zinc/39/48/96/1132394896.db2.gz VGYXMUOKTSWJBD-UHFFFAOYSA-N 1 2 279.334 3.677 20 30 CHEDLO N#CCC[N@H+](Cc1ccnc(C(F)F)c1)C1CCCC1 ZINC001231891589 1132394903 /nfs/dbraw/zinc/39/49/03/1132394903.db2.gz VGYXMUOKTSWJBD-UHFFFAOYSA-N 1 2 279.334 3.677 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1Cl ZINC001232112516 1132424068 /nfs/dbraw/zinc/42/40/68/1132424068.db2.gz WXWNWMGSZFWHTH-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cc1Cl ZINC001232112516 1132424070 /nfs/dbraw/zinc/42/40/70/1132424070.db2.gz WXWNWMGSZFWHTH-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#CCC[N@@H+](Cc1ccnc(C(F)(F)F)c1)C1CCCC1 ZINC001232239640 1132443013 /nfs/dbraw/zinc/44/30/13/1132443013.db2.gz KPSGSELFBLECSE-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1ccnc(C(F)(F)F)c1)C1CCCC1 ZINC001232239640 1132443015 /nfs/dbraw/zinc/44/30/15/1132443015.db2.gz KPSGSELFBLECSE-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO C=CC[N@H+](Cc1c(Cl)ccnc1F)C(C)(C)C ZINC001232619363 1132497403 /nfs/dbraw/zinc/49/74/03/1132497403.db2.gz UQYJZNUCUSIIGX-UHFFFAOYSA-N 1 2 256.752 3.661 20 30 CHEDLO C=CC[N@@H+](Cc1c(Cl)ccnc1F)C(C)(C)C ZINC001232619363 1132497406 /nfs/dbraw/zinc/49/74/06/1132497406.db2.gz UQYJZNUCUSIIGX-UHFFFAOYSA-N 1 2 256.752 3.661 20 30 CHEDLO N#Cc1ccc2c(C[N@@H+]3Cc4cccc(F)c4C3)c[nH]c2c1 ZINC001142921099 1132477268 /nfs/dbraw/zinc/47/72/68/1132477268.db2.gz GQFXHLHLOLASAV-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#Cc1ccc2c(C[N@H+]3Cc4cccc(F)c4C3)c[nH]c2c1 ZINC001142921099 1132477272 /nfs/dbraw/zinc/47/72/72/1132477272.db2.gz GQFXHLHLOLASAV-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232673464 1132504726 /nfs/dbraw/zinc/50/47/26/1132504726.db2.gz HDCKVKQHRRYOOR-UHFFFAOYSA-N 1 2 294.398 3.922 20 30 CHEDLO CC(C)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232673464 1132504730 /nfs/dbraw/zinc/50/47/30/1132504730.db2.gz HDCKVKQHRRYOOR-UHFFFAOYSA-N 1 2 294.398 3.922 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001232888660 1132536798 /nfs/dbraw/zinc/53/67/98/1132536798.db2.gz JBZVBKZSEOOKBA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001232888660 1132536811 /nfs/dbraw/zinc/53/68/11/1132536811.db2.gz JBZVBKZSEOOKBA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc(C[N@@H+]2Cc3cccc(C)c3C2)c(C#N)c1 ZINC001232962431 1132549725 /nfs/dbraw/zinc/54/97/25/1132549725.db2.gz NJTINDKKRLTLAK-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1ccc(C[N@H+]2Cc3cccc(C)c3C2)c(C#N)c1 ZINC001232962431 1132549727 /nfs/dbraw/zinc/54/97/27/1132549727.db2.gz NJTINDKKRLTLAK-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(C#N)c1 ZINC001232967254 1132553610 /nfs/dbraw/zinc/55/36/10/1132553610.db2.gz HAFQUBUERFATKC-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(C#N)c1 ZINC001232967254 1132553617 /nfs/dbraw/zinc/55/36/17/1132553617.db2.gz HAFQUBUERFATKC-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233046672 1132566079 /nfs/dbraw/zinc/56/60/79/1132566079.db2.gz FRVWYRIRNJATLO-SFHVURJKSA-N 1 2 295.386 3.622 20 30 CHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233046672 1132566086 /nfs/dbraw/zinc/56/60/86/1132566086.db2.gz FRVWYRIRNJATLO-SFHVURJKSA-N 1 2 295.386 3.622 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC001233082824 1132572439 /nfs/dbraw/zinc/57/24/39/1132572439.db2.gz JLGNMQMKUDDFPE-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2cccc(F)c2C1 ZINC001233082824 1132572444 /nfs/dbraw/zinc/57/24/44/1132572444.db2.gz JLGNMQMKUDDFPE-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1cnc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001155850471 1132666404 /nfs/dbraw/zinc/66/64/04/1132666404.db2.gz LVCHLOKTMLEPKJ-UHFFFAOYSA-N 1 2 293.292 3.754 20 30 CHEDLO Cc1c(F)cc[nH+]c1N1CCC(c2ccc(C#N)cc2)CC1 ZINC001156765248 1132708878 /nfs/dbraw/zinc/70/88/78/1132708878.db2.gz FGRTVBGCSYMXLZ-UHFFFAOYSA-N 1 2 295.361 3.785 20 30 CHEDLO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)cc(C(C)C)[nH+]1 ZINC001156871746 1132712517 /nfs/dbraw/zinc/71/25/17/1132712517.db2.gz RUZCIHNIAHBLIS-LBPRGKRZSA-N 1 2 280.375 3.953 20 30 CHEDLO C=CCN(c1cc(C)[nH+]c(C2CC2)n1)C1CCCCC1 ZINC001157850660 1132749027 /nfs/dbraw/zinc/74/90/27/1132749027.db2.gz PFQVQDZWXSHDBT-UHFFFAOYSA-N 1 2 271.408 3.988 20 30 CHEDLO C[C@@H](CCCC(C)(C)O)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001157888254 1132753306 /nfs/dbraw/zinc/75/33/06/1132753306.db2.gz LKOZPPGGQMQVDP-ZDUSSCGKSA-N 1 2 297.402 3.848 20 30 CHEDLO COc1ccc2c(cc[nH+]c2NC2=CC(=O)CC(C)(C)C2)c1 ZINC001158950359 1132800403 /nfs/dbraw/zinc/80/04/03/1132800403.db2.gz MFPWSEUETYGGRW-UHFFFAOYSA-N 1 2 296.370 3.928 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NCC#Cc3ccccc3)c2c1 ZINC001159373285 1132834971 /nfs/dbraw/zinc/83/49/71/1132834971.db2.gz PFZWZVWXSQZNLN-UHFFFAOYSA-N 1 2 283.334 3.570 20 30 CHEDLO CSCc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001159918888 1132925065 /nfs/dbraw/zinc/92/50/65/1132925065.db2.gz JWHJIHOAMUNXJU-MRXNPFEDSA-N 1 2 295.411 3.916 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC001160181221 1132943311 /nfs/dbraw/zinc/94/33/11/1132943311.db2.gz MPTXLCPAVJAPGK-CQSZACIVSA-N 1 2 298.386 3.966 20 30 CHEDLO CCSc1cc[nH+]c(NCCOc2ccc(C#N)cc2)c1 ZINC001160287662 1132958520 /nfs/dbraw/zinc/95/85/20/1132958520.db2.gz SEPVMSZNJVHFFZ-UHFFFAOYSA-N 1 2 299.399 3.556 20 30 CHEDLO N#Cc1c(F)c(Cl)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213034739 1133017388 /nfs/dbraw/zinc/01/73/88/1133017388.db2.gz ZSVPSRWDIHEASE-UHFFFAOYSA-N 1 2 286.697 3.971 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NCC2(C#N)CCC2)c1 ZINC001162415100 1133076893 /nfs/dbraw/zinc/07/68/93/1133076893.db2.gz YBIWLYMXUHKCNT-UHFFFAOYSA-N 1 2 271.408 3.947 20 30 CHEDLO Cc1cc2[nH]ccc2c(N[C@](C)(C#N)CC(C)C)[nH+]1 ZINC001162518915 1133085954 /nfs/dbraw/zinc/08/59/54/1133085954.db2.gz VFGMYDAHZFDMPQ-HNNXBMFYSA-N 1 2 256.353 3.612 20 30 CHEDLO Cc1[nH+]c(N[C@@](C)(C#N)CC(C)C)cc2[nH]ccc21 ZINC001162518868 1133085967 /nfs/dbraw/zinc/08/59/67/1133085967.db2.gz UIEIUKZCAUZCBU-OAHLLOKOSA-N 1 2 256.353 3.612 20 30 CHEDLO C#C[C@H](Nc1cc(C)[nH+]c(C2CCC2)n1)c1ccccc1 ZINC001163583857 1133161744 /nfs/dbraw/zinc/16/17/44/1133161744.db2.gz SFCDSUNAZNZTJG-INIZCTEOSA-N 1 2 277.371 3.839 20 30 CHEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)[nH+]c2c(C)cccc12 ZINC001166740611 1133284030 /nfs/dbraw/zinc/28/40/30/1133284030.db2.gz NPCGUPGPQPCEJA-HNNXBMFYSA-N 1 2 279.387 3.982 20 30 CHEDLO Cc1cc(N2CCC[C@H](CC#N)C2)[nH+]c2ccccc12 ZINC001166743422 1133284816 /nfs/dbraw/zinc/28/48/16/1133284816.db2.gz RTLYYJONKPQUNA-CQSZACIVSA-N 1 2 265.360 3.673 20 30 CHEDLO N#Cc1ccc(C=CNc2ccc[nH+]c2N2CCCC2)cc1 ZINC001203299105 1133311202 /nfs/dbraw/zinc/31/12/02/1133311202.db2.gz XGORCEKSXMYJCT-PKNBQFBNSA-N 1 2 290.370 3.636 20 30 CHEDLO C#Cc1cccnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203713013 1133357856 /nfs/dbraw/zinc/35/78/56/1133357856.db2.gz SFIKHKNDUDFSEG-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO C=CCOc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC001204300470 1133432380 /nfs/dbraw/zinc/43/23/80/1133432380.db2.gz RXUHCUMVYQMDLF-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC001204300470 1133432384 /nfs/dbraw/zinc/43/23/84/1133432384.db2.gz RXUHCUMVYQMDLF-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001204739083 1133480836 /nfs/dbraw/zinc/48/08/36/1133480836.db2.gz PUWZBELLKRHEIM-GFCCVEGCSA-N 1 2 286.762 3.945 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001204739083 1133480838 /nfs/dbraw/zinc/48/08/38/1133480838.db2.gz PUWZBELLKRHEIM-GFCCVEGCSA-N 1 2 286.762 3.945 20 30 CHEDLO Cc1cc(C)c(Nc2ccn3cc[nH+]c3c2)cc1C#N ZINC001205005051 1133516083 /nfs/dbraw/zinc/51/60/83/1133516083.db2.gz CJSZJQPYQRFZJY-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273270 1133785587 /nfs/dbraw/zinc/78/55/87/1133785587.db2.gz WWWWLDBWRQOIPL-CABCVRRESA-N 1 2 291.460 3.643 20 30 CHEDLO CC1=CC[C@H](CC[N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273270 1133785590 /nfs/dbraw/zinc/78/55/90/1133785590.db2.gz WWWWLDBWRQOIPL-CABCVRRESA-N 1 2 291.460 3.643 20 30 CHEDLO CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273273 1133785865 /nfs/dbraw/zinc/78/58/65/1133785865.db2.gz WWWWLDBWRQOIPL-LSDHHAIUSA-N 1 2 291.460 3.643 20 30 CHEDLO CC1=CC[C@@H](CC[N@H+]2CC[C@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273273 1133785867 /nfs/dbraw/zinc/78/58/67/1133785867.db2.gz WWWWLDBWRQOIPL-LSDHHAIUSA-N 1 2 291.460 3.643 20 30 CHEDLO CC(C)(CC[N@@H+]1CCCC[C@H]1C#N)c1ccccc1 ZINC001208665876 1133923958 /nfs/dbraw/zinc/92/39/58/1133923958.db2.gz HDJDZQKJLNZTBL-INIZCTEOSA-N 1 2 256.393 3.732 20 30 CHEDLO CC(C)(CC[N@H+]1CCCC[C@H]1C#N)c1ccccc1 ZINC001208665876 1133923965 /nfs/dbraw/zinc/92/39/65/1133923965.db2.gz HDJDZQKJLNZTBL-INIZCTEOSA-N 1 2 256.393 3.732 20 30 CHEDLO C[C@H](C[N@@H+]1CCC[C@H]1C#N)c1cccc2ccccc21 ZINC001208703407 1133932151 /nfs/dbraw/zinc/93/21/51/1133932151.db2.gz DYFBRZDEOVRDCW-ZBFHGGJFSA-N 1 2 264.372 3.931 20 30 CHEDLO C[C@H](C[N@H+]1CCC[C@H]1C#N)c1cccc2ccccc21 ZINC001208703407 1133932153 /nfs/dbraw/zinc/93/21/53/1133932153.db2.gz DYFBRZDEOVRDCW-ZBFHGGJFSA-N 1 2 264.372 3.931 20 30 CHEDLO C=CCCCCN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001209208696 1133989762 /nfs/dbraw/zinc/98/97/62/1133989762.db2.gz YBWUZSJYQOXNMH-OAHLLOKOSA-N 1 2 286.410 3.538 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2ccccc2-n2cc[nH+]c2)C1 ZINC001210151816 1134157791 /nfs/dbraw/zinc/15/77/91/1134157791.db2.gz QWESEZAPCANRNB-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cc(C)cc(C#N)c1 ZINC001210388505 1134206932 /nfs/dbraw/zinc/20/69/32/1134206932.db2.gz IVJLAYZSORSNLN-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1[nH+]cccc1N1CCCCC1 ZINC001210500562 1134230008 /nfs/dbraw/zinc/23/00/08/1134230008.db2.gz CPMNUZYMFHIULZ-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO CCN(C)c1ccc(Nc2cc(Cl)cc(C#N)c2)c[nH+]1 ZINC001210536521 1134241822 /nfs/dbraw/zinc/24/18/22/1134241822.db2.gz OIKBFLJVSQEZDI-UHFFFAOYSA-N 1 2 286.766 3.806 20 30 CHEDLO CC(=O)c1ccc(Nc2c[nH+]c(C)cc2C)c(C#N)c1 ZINC001213518278 1134459515 /nfs/dbraw/zinc/45/95/15/1134459515.db2.gz FMJHMVVCIPHWKD-UHFFFAOYSA-N 1 2 265.316 3.516 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(C#N)c(F)c2F)c1C ZINC001213532920 1134461210 /nfs/dbraw/zinc/46/12/10/1134461210.db2.gz WOPDSNJMWMCWFE-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC001216076165 1134767603 /nfs/dbraw/zinc/76/76/03/1134767603.db2.gz QREAIUXBLZDHPS-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cccc(C#N)c1C ZINC001216176424 1134795986 /nfs/dbraw/zinc/79/59/86/1134795986.db2.gz PSAGIDUVHGLQOU-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1ccc(C#N)c(CC)c1 ZINC001216315389 1134849511 /nfs/dbraw/zinc/84/95/11/1134849511.db2.gz FNVWXOVJVYKXEF-UHFFFAOYSA-N 1 2 267.332 3.658 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000405169127 1134960655 /nfs/dbraw/zinc/96/06/55/1134960655.db2.gz QUPIKFZDGZYWPT-CQSZACIVSA-N 1 2 276.330 3.699 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000405169127 1134960663 /nfs/dbraw/zinc/96/06/63/1134960663.db2.gz QUPIKFZDGZYWPT-CQSZACIVSA-N 1 2 276.330 3.699 20 30 CHEDLO Cc1cn2cc(-c3c(C)cc(C#N)cc3C)ccc2[nH+]1 ZINC001222657283 1135260628 /nfs/dbraw/zinc/26/06/28/1135260628.db2.gz NWVCLWBCUAFXSR-UHFFFAOYSA-N 1 2 261.328 3.798 20 30 CHEDLO CSc1ccccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352863666 533061252 /nfs/dbraw/zinc/06/12/52/533061252.db2.gz VWTNCNQRJXWWFT-JTQLQIEISA-N 1 2 289.429 3.587 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000187764856 260056626 /nfs/dbraw/zinc/05/66/26/260056626.db2.gz HKAIKSGWMBENBE-MRXNPFEDSA-N 1 2 292.329 3.977 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000347226642 533496828 /nfs/dbraw/zinc/49/68/28/533496828.db2.gz AEULBHBXZZUMOH-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000347226642 533496831 /nfs/dbraw/zinc/49/68/31/533496831.db2.gz AEULBHBXZZUMOH-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000045914490 175386387 /nfs/dbraw/zinc/38/63/87/175386387.db2.gz RORNIEUAOFAUQD-UHFFFAOYSA-N 1 2 284.359 3.524 20 30 CHEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1cccc(C#N)c1 ZINC000354887916 227205600 /nfs/dbraw/zinc/20/56/00/227205600.db2.gz XEWDSMKKZMMGNA-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1cccc(C#N)c1 ZINC000354887916 227205603 /nfs/dbraw/zinc/20/56/03/227205603.db2.gz XEWDSMKKZMMGNA-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO N#Cc1csc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000356063124 228106438 /nfs/dbraw/zinc/10/64/38/228106438.db2.gz LYBFZZQOXZGAAH-MRXNPFEDSA-N 1 2 295.411 3.667 20 30 CHEDLO N#Cc1csc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000356063124 228106441 /nfs/dbraw/zinc/10/64/41/228106441.db2.gz LYBFZZQOXZGAAH-MRXNPFEDSA-N 1 2 295.411 3.667 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179849984 260077654 /nfs/dbraw/zinc/07/76/54/260077654.db2.gz UEZBWSRTEWOCJG-UHFFFAOYSA-N 1 2 293.395 3.659 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179849984 260077656 /nfs/dbraw/zinc/07/76/56/260077656.db2.gz UEZBWSRTEWOCJG-UHFFFAOYSA-N 1 2 293.395 3.659 20 30 CHEDLO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](C#N)CCC#N ZINC000078773304 260302012 /nfs/dbraw/zinc/30/20/12/260302012.db2.gz YKEWXJDJABNJBT-LLVKDONJSA-N 1 2 281.812 3.667 20 30 CHEDLO CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](C#N)CCC#N ZINC000078773304 260302014 /nfs/dbraw/zinc/30/20/14/260302014.db2.gz YKEWXJDJABNJBT-LLVKDONJSA-N 1 2 281.812 3.667 20 30 CHEDLO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187853591 262144907 /nfs/dbraw/zinc/14/49/07/262144907.db2.gz YOASGWHLNNQSSD-HNNXBMFYSA-N 1 2 296.773 3.546 20 30 CHEDLO N#CCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187853591 262144908 /nfs/dbraw/zinc/14/49/08/262144908.db2.gz YOASGWHLNNQSSD-HNNXBMFYSA-N 1 2 296.773 3.546 20 30 CHEDLO COc1cc(OC)c([NH2+][C@@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000193072483 262215778 /nfs/dbraw/zinc/21/57/78/262215778.db2.gz PRPVCEGGSXQBRA-WDEREUQCSA-N 1 2 294.782 3.851 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000194134551 262233968 /nfs/dbraw/zinc/23/39/68/262233968.db2.gz NEXVOLOICNIBPO-ZFWWWQNUSA-N 1 2 280.375 3.581 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000194969596 262244149 /nfs/dbraw/zinc/24/41/49/262244149.db2.gz DXQBQSZJNDKPET-MRXNPFEDSA-N 1 2 294.398 4.000 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000194969596 262244150 /nfs/dbraw/zinc/24/41/50/262244150.db2.gz DXQBQSZJNDKPET-MRXNPFEDSA-N 1 2 294.398 4.000 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000227351744 262389000 /nfs/dbraw/zinc/38/90/00/262389000.db2.gz UCGUBGCJTPEUGF-UHFFFAOYSA-N 1 2 293.208 3.575 20 30 CHEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cscn1 ZINC000271567294 262997106 /nfs/dbraw/zinc/99/71/06/262997106.db2.gz XZXWLRJLFIYXNB-JSGCOSHPSA-N 1 2 271.389 3.839 20 30 CHEDLO Cc1cc[nH+]cc1CCCNc1ccc(CC#N)cc1 ZINC000290239044 263115640 /nfs/dbraw/zinc/11/56/40/263115640.db2.gz GONGLFRKAXNGCG-UHFFFAOYSA-N 1 2 265.360 3.501 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)CC1CC1 ZINC000290447346 263116933 /nfs/dbraw/zinc/11/69/33/263116933.db2.gz OGYKQHJSDLNHEF-UHFFFAOYSA-N 1 2 298.308 3.537 20 30 CHEDLO N#CCC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)CC1CC1 ZINC000290447346 263116934 /nfs/dbraw/zinc/11/69/34/263116934.db2.gz OGYKQHJSDLNHEF-UHFFFAOYSA-N 1 2 298.308 3.537 20 30 CHEDLO CC1=C[C@@H](C)C[C@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486194 263117181 /nfs/dbraw/zinc/11/71/81/263117181.db2.gz RGEZADGYOFHBFM-WBVHZDCISA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=C[C@@H](C)C[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486194 263117182 /nfs/dbraw/zinc/11/71/82/263117182.db2.gz RGEZADGYOFHBFM-WBVHZDCISA-N 1 2 283.419 3.790 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCCCC1(F)F ZINC000294899748 263169015 /nfs/dbraw/zinc/16/90/15/263169015.db2.gz GYEJYEQBZZUZLB-AWEZNQCLSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCCCC1(F)F ZINC000294899748 263169016 /nfs/dbraw/zinc/16/90/16/263169016.db2.gz GYEJYEQBZZUZLB-AWEZNQCLSA-N 1 2 293.361 3.623 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000299149376 263231733 /nfs/dbraw/zinc/23/17/33/263231733.db2.gz DTLYHGMDLYLUKU-SECBINFHSA-N 1 2 288.725 3.533 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000299149376 263231735 /nfs/dbraw/zinc/23/17/35/263231735.db2.gz DTLYHGMDLYLUKU-SECBINFHSA-N 1 2 288.725 3.533 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000299446622 263242381 /nfs/dbraw/zinc/24/23/81/263242381.db2.gz YDXYRICGDMWGMF-UHFFFAOYSA-N 1 2 264.319 3.623 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000299446622 263242382 /nfs/dbraw/zinc/24/23/82/263242382.db2.gz YDXYRICGDMWGMF-UHFFFAOYSA-N 1 2 264.319 3.623 20 30 CHEDLO C=C1CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000342009384 263377363 /nfs/dbraw/zinc/37/73/63/263377363.db2.gz RAEVHWWJPWRKJH-UHFFFAOYSA-N 1 2 274.389 3.864 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000356435212 266113280 /nfs/dbraw/zinc/11/32/80/266113280.db2.gz IRAIVOCFHQUBMZ-FDMDGMSGSA-N 1 2 295.411 3.693 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000356435212 266113283 /nfs/dbraw/zinc/11/32/83/266113283.db2.gz IRAIVOCFHQUBMZ-FDMDGMSGSA-N 1 2 295.411 3.693 20 30 CHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC000369804858 267267649 /nfs/dbraw/zinc/26/76/49/267267649.db2.gz YCWKFAHZWNMBHX-UONOGXRCSA-N 1 2 282.309 3.711 20 30 CHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000369804858 267267653 /nfs/dbraw/zinc/26/76/53/267267653.db2.gz YCWKFAHZWNMBHX-UONOGXRCSA-N 1 2 282.309 3.711 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cnc(C2CCC2)s1 ZINC000534337903 328049599 /nfs/dbraw/zinc/04/95/99/328049599.db2.gz CGZXOTQKGGRRAJ-UHFFFAOYSA-N 1 2 263.410 3.535 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(C2CCC2)s1 ZINC000534337903 328049600 /nfs/dbraw/zinc/04/96/00/328049600.db2.gz CGZXOTQKGGRRAJ-UHFFFAOYSA-N 1 2 263.410 3.535 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccco1 ZINC000571617617 328138018 /nfs/dbraw/zinc/13/80/18/328138018.db2.gz DMWUUPWZARBPBB-GFCCVEGCSA-N 1 2 262.378 3.842 20 30 CHEDLO N#C[C@H]1CCC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000278613412 328228321 /nfs/dbraw/zinc/22/83/21/328228321.db2.gz FTLSWVMYBWTMFA-GOEBONIOSA-N 1 2 269.392 3.781 20 30 CHEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000278613412 328228322 /nfs/dbraw/zinc/22/83/22/328228322.db2.gz FTLSWVMYBWTMFA-GOEBONIOSA-N 1 2 269.392 3.781 20 30 CHEDLO C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000284293120 328245665 /nfs/dbraw/zinc/24/56/65/328245665.db2.gz ODWCFKXCSMOAAB-WDEREUQCSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000284293120 328245667 /nfs/dbraw/zinc/24/56/67/328245667.db2.gz ODWCFKXCSMOAAB-WDEREUQCSA-N 1 2 266.747 3.603 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1Cl ZINC000054182068 328485386 /nfs/dbraw/zinc/48/53/86/328485386.db2.gz BUZXWYLIBFSMDC-JTQLQIEISA-N 1 2 257.164 3.775 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(Br)ccc1F ZINC000520059179 327164624 /nfs/dbraw/zinc/16/46/24/327164624.db2.gz SXDWQLWRQKCGRI-UHFFFAOYSA-N 1 2 284.172 3.762 20 30 CHEDLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358587510 328888272 /nfs/dbraw/zinc/88/82/72/328888272.db2.gz KLIMNPZOOYOSRM-ZJUUUORDSA-N 1 2 289.379 3.874 20 30 CHEDLO Cc1ncsc1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000178976519 329202922 /nfs/dbraw/zinc/20/29/22/329202922.db2.gz KDMWJTZFHRWCGT-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ncsc1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000178976519 329202924 /nfs/dbraw/zinc/20/29/24/329202924.db2.gz KDMWJTZFHRWCGT-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO N#Cc1c(F)cccc1SCc1cn2ccccc2[nH+]1 ZINC000583062964 329309233 /nfs/dbraw/zinc/30/92/33/329309233.db2.gz GBRRCRRCMAYPEI-UHFFFAOYSA-N 1 2 283.331 3.637 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)c(F)c1 ZINC000186447100 329342796 /nfs/dbraw/zinc/34/27/96/329342796.db2.gz NIAPRRZRWCPSLZ-XHDPSFHLSA-N 1 2 291.345 3.666 20 30 CHEDLO Cc1cc(C)c(C#N)c(SCc2ccc(C)[nH+]c2C)n1 ZINC000186344056 329343315 /nfs/dbraw/zinc/34/33/15/329343315.db2.gz SVHBQIPQMFDUCW-UHFFFAOYSA-N 1 2 283.400 3.874 20 30 CHEDLO CCOc1ccc(-c2nc(C[NH2+][C@H](CC)CC#N)co2)cc1 ZINC000584477886 329497955 /nfs/dbraw/zinc/49/79/55/329497955.db2.gz AFUBJGKTEXXERJ-CQSZACIVSA-N 1 2 299.374 3.522 20 30 CHEDLO CC(C)n1cc[nH+]c1CNc1ccc(Cl)c(C#N)c1 ZINC000123757794 329562440 /nfs/dbraw/zinc/56/24/40/329562440.db2.gz GGAJNEBHSLPOFD-UHFFFAOYSA-N 1 2 274.755 3.601 20 30 CHEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000271340845 330078989 /nfs/dbraw/zinc/07/89/89/330078989.db2.gz CATAVTIYSRFEOR-UHFFFAOYSA-N 1 2 299.201 3.582 20 30 CHEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000271340845 330078991 /nfs/dbraw/zinc/07/89/91/330078991.db2.gz CATAVTIYSRFEOR-UHFFFAOYSA-N 1 2 299.201 3.582 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(CC)n1 ZINC000272219011 330084995 /nfs/dbraw/zinc/08/49/95/330084995.db2.gz BSUNFZWPHASMCF-UHFFFAOYSA-N 1 2 276.405 3.529 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(CC)n1 ZINC000272219011 330084996 /nfs/dbraw/zinc/08/49/96/330084996.db2.gz BSUNFZWPHASMCF-UHFFFAOYSA-N 1 2 276.405 3.529 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)c(F)c1 ZINC000510126982 332893791 /nfs/dbraw/zinc/89/37/91/332893791.db2.gz JCHYQXULBZMRLZ-UHFFFAOYSA-N 1 2 282.309 3.755 20 30 CHEDLO C=CCC(CC=C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273848094 330100180 /nfs/dbraw/zinc/10/01/80/330100180.db2.gz BZAUJFWWYPJZKW-UHFFFAOYSA-N 1 2 269.348 3.600 20 30 CHEDLO C=CCc1cccc(C(C)C)c1NC(=O)CCn1cc[nH+]c1 ZINC000276429119 330113559 /nfs/dbraw/zinc/11/35/59/330113559.db2.gz INLGMXZFANLSTJ-UHFFFAOYSA-N 1 2 297.402 3.764 20 30 CHEDLO C=CC[N@@H+](Cc1cnn(CC)c1)Cc1ccc(Cl)s1 ZINC000162787331 330114945 /nfs/dbraw/zinc/11/49/45/330114945.db2.gz JEYNSEPPLQXMLJ-UHFFFAOYSA-N 1 2 295.839 3.806 20 30 CHEDLO C=CC[N@H+](Cc1cnn(CC)c1)Cc1ccc(Cl)s1 ZINC000162787331 330114947 /nfs/dbraw/zinc/11/49/47/330114947.db2.gz JEYNSEPPLQXMLJ-UHFFFAOYSA-N 1 2 295.839 3.806 20 30 CHEDLO CC(C)c1nc(N(C)[C@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC000425283746 330141877 /nfs/dbraw/zinc/14/18/77/330141877.db2.gz POEMHTCGSNWGGL-CYBMUJFWSA-N 1 2 280.375 3.669 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000081044811 330161007 /nfs/dbraw/zinc/16/10/07/330161007.db2.gz FXKGIRQXJSTCMH-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000081044811 330161009 /nfs/dbraw/zinc/16/10/09/330161009.db2.gz FXKGIRQXJSTCMH-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1c(F)cccc1F ZINC000537028618 330387221 /nfs/dbraw/zinc/38/72/21/330387221.db2.gz HYXIQBJJQUXOHU-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO C=CC[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000121186658 330397466 /nfs/dbraw/zinc/39/74/66/330397466.db2.gz OOHKEIYRHSDBNC-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO C=CC[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000121186658 330397467 /nfs/dbraw/zinc/39/74/67/330397467.db2.gz OOHKEIYRHSDBNC-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO CCN(CC)c1ccc(NCc2ccc(C#N)c(C)c2)c[nH+]1 ZINC000443981241 330808276 /nfs/dbraw/zinc/80/82/76/330808276.db2.gz CBLZQFDXMVEGGQ-UHFFFAOYSA-N 1 2 294.402 3.720 20 30 CHEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450871213 331004059 /nfs/dbraw/zinc/00/40/59/331004059.db2.gz GJWPXYRUCRVGSR-OAHLLOKOSA-N 1 2 292.810 3.653 20 30 CHEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450871213 331004060 /nfs/dbraw/zinc/00/40/60/331004060.db2.gz GJWPXYRUCRVGSR-OAHLLOKOSA-N 1 2 292.810 3.653 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)CC1CCC(F)(F)CC1 ZINC000459345175 331277078 /nfs/dbraw/zinc/27/70/78/331277078.db2.gz AIQNGGQKWINGOW-UHFFFAOYSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCC(F)(F)CC1 ZINC000459345175 331277079 /nfs/dbraw/zinc/27/70/79/331277079.db2.gz AIQNGGQKWINGOW-UHFFFAOYSA-N 1 2 282.334 3.821 20 30 CHEDLO Cc1cc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c(C)o1 ZINC000459415018 331280428 /nfs/dbraw/zinc/28/04/28/331280428.db2.gz ZEEICNOEYXBKAU-NSHDSACASA-N 1 2 299.330 3.527 20 30 CHEDLO Cc1ccc2[nH+]c(CNc3c(Cl)cccc3C#N)cn2c1 ZINC000462794050 331329348 /nfs/dbraw/zinc/32/93/48/331329348.db2.gz XZPALUWHVOGLHX-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C=CCC[C@@H](CCC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000463290853 331345435 /nfs/dbraw/zinc/34/54/35/331345435.db2.gz LLGYRVLIQDXRSZ-HZPDHXFCSA-N 1 2 275.392 3.625 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Cl ZINC000489420976 332051356 /nfs/dbraw/zinc/05/13/56/332051356.db2.gz AXRFPWYZOGBBBQ-NSHDSACASA-N 1 2 271.191 3.929 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Cl ZINC000489420976 332051357 /nfs/dbraw/zinc/05/13/57/332051357.db2.gz AXRFPWYZOGBBBQ-NSHDSACASA-N 1 2 271.191 3.929 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000491396464 332204542 /nfs/dbraw/zinc/20/45/42/332204542.db2.gz YHFMLRSVMRSGPS-MRXNPFEDSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(Cl)cc1 ZINC000491427212 332209618 /nfs/dbraw/zinc/20/96/18/332209618.db2.gz JLCILPHKUOANHS-INIZCTEOSA-N 1 2 287.794 3.582 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnc(Cl)c(C)c1)c1ccc(F)cc1 ZINC000491495786 332222873 /nfs/dbraw/zinc/22/28/73/332222873.db2.gz LUYCZYYFSOXJPG-HNNXBMFYSA-N 1 2 288.753 3.647 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000513452109 333020462 /nfs/dbraw/zinc/02/04/62/333020462.db2.gz WFVXKDNWJONCSS-UHFFFAOYSA-N 1 2 272.211 3.663 20 30 CHEDLO CCC[N@H+](CC#N)CC1CCC(C(F)(F)F)CC1 ZINC000185502891 333142145 /nfs/dbraw/zinc/14/21/45/333142145.db2.gz FSKCLGJEZNIQKB-UHFFFAOYSA-N 1 2 262.319 3.591 20 30 CHEDLO CCC[N@@H+](CC#N)CC1CCC(C(F)(F)F)CC1 ZINC000185502891 333142147 /nfs/dbraw/zinc/14/21/47/333142147.db2.gz FSKCLGJEZNIQKB-UHFFFAOYSA-N 1 2 262.319 3.591 20 30 CHEDLO Cc1ccccc1OCCC[N@H+](CC#N)C1CCCC1 ZINC000523442198 333327008 /nfs/dbraw/zinc/32/70/08/333327008.db2.gz PPOBUWXUNBPISD-UHFFFAOYSA-N 1 2 272.392 3.532 20 30 CHEDLO Cc1ccccc1OCCC[N@@H+](CC#N)C1CCCC1 ZINC000523442198 333327010 /nfs/dbraw/zinc/32/70/10/333327010.db2.gz PPOBUWXUNBPISD-UHFFFAOYSA-N 1 2 272.392 3.532 20 30 CHEDLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(C#N)cc2)c[nH+]1 ZINC000315665081 333382963 /nfs/dbraw/zinc/38/29/63/333382963.db2.gz PGRKDOQJFWDWIN-AWEZNQCLSA-N 1 2 294.402 3.973 20 30 CHEDLO C=CCCC1(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000530299793 333540106 /nfs/dbraw/zinc/54/01/06/333540106.db2.gz IBNSARQKWZSLRG-UHFFFAOYSA-N 1 2 283.375 3.567 20 30 CHEDLO CC(C)(C)[C@@H]([NH2+]CCCC(C)(C)C#N)C(F)(F)F ZINC000545922296 334006201 /nfs/dbraw/zinc/00/62/01/334006201.db2.gz HDGOFPABWGBTMC-SNVBAGLBSA-N 1 2 264.335 3.883 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cc3ccccc3o2)c1 ZINC000547340228 334081322 /nfs/dbraw/zinc/08/13/22/334081322.db2.gz SICTUSMQFUGNIP-UHFFFAOYSA-N 1 2 263.300 3.506 20 30 CHEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](C#N)CCC#N ZINC000076513945 334083288 /nfs/dbraw/zinc/08/32/88/334083288.db2.gz XAKHTOQPBJLLKC-ZDUSSCGKSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](C#N)CCC#N ZINC000076513945 334083290 /nfs/dbraw/zinc/08/32/90/334083290.db2.gz XAKHTOQPBJLLKC-ZDUSSCGKSA-N 1 2 295.308 3.581 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000548157916 334143465 /nfs/dbraw/zinc/14/34/65/334143465.db2.gz ZWUACJJJYACUNK-QGZVFWFLSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000548157916 334143466 /nfs/dbraw/zinc/14/34/66/334143466.db2.gz ZWUACJJJYACUNK-QGZVFWFLSA-N 1 2 297.789 3.944 20 30 CHEDLO CCCc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000548467024 334157878 /nfs/dbraw/zinc/15/78/78/334157878.db2.gz QBRGIOGKAGXXBU-UHFFFAOYSA-N 1 2 265.360 3.712 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](CCC#N)CC2CC2)c1C ZINC000081043312 334177134 /nfs/dbraw/zinc/17/71/34/334177134.db2.gz RLLPCCBHZBBKPH-UHFFFAOYSA-N 1 2 298.430 3.940 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](CCC#N)CC2CC2)c1C ZINC000081043312 334177135 /nfs/dbraw/zinc/17/71/35/334177135.db2.gz RLLPCCBHZBBKPH-UHFFFAOYSA-N 1 2 298.430 3.940 20 30 CHEDLO C=CCCc1ccccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000568269697 334811052 /nfs/dbraw/zinc/81/10/52/334811052.db2.gz UKSGMFUVDAKMAK-UHFFFAOYSA-N 1 2 255.365 3.757 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000577527191 335365010 /nfs/dbraw/zinc/36/50/10/335365010.db2.gz LKELWQRCZFXSPT-CYBMUJFWSA-N 1 2 289.766 3.777 20 30 CHEDLO Cc1cccc2[nH+]c(CSc3cccc(F)c3C#N)cn21 ZINC000580871462 335977267 /nfs/dbraw/zinc/97/72/67/335977267.db2.gz PLDFSUVSSCHNKR-UHFFFAOYSA-N 1 2 297.358 3.946 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CC[C@@H](C)O2)[nH+]1 ZINC000330208086 534518024 /nfs/dbraw/zinc/51/80/24/534518024.db2.gz ATPDCQFIGXXFRT-RISCZKNCSA-N 1 2 285.347 3.541 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)C2CCC(=O)CC2)[nH+]1 ZINC000330210450 534518612 /nfs/dbraw/zinc/51/86/12/534518612.db2.gz CJBDKPCEEVPNMV-UHFFFAOYSA-N 1 2 297.358 3.732 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCC1(F)F ZINC000289941521 524618393 /nfs/dbraw/zinc/61/83/93/524618393.db2.gz VJMUTULSVSHAFV-JTQLQIEISA-N 1 2 284.737 3.689 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC1(F)F ZINC000289941521 524618399 /nfs/dbraw/zinc/61/83/99/524618399.db2.gz VJMUTULSVSHAFV-JTQLQIEISA-N 1 2 284.737 3.689 20 30 CHEDLO COc1cc[nH+]cc1CS[C@@H](C)c1ccc(C#N)cc1 ZINC000289391729 524860721 /nfs/dbraw/zinc/86/07/21/524860721.db2.gz LXLTUABFXRAOGH-LBPRGKRZSA-N 1 2 284.384 3.956 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(Cl)s1 ZINC000351973880 526327549 /nfs/dbraw/zinc/32/75/49/526327549.db2.gz GVFNUAFBQXZPTO-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(Cl)s1 ZINC000351973880 526327554 /nfs/dbraw/zinc/32/75/54/526327554.db2.gz GVFNUAFBQXZPTO-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO C=CCSCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354569595 527006420 /nfs/dbraw/zinc/00/64/20/527006420.db2.gz QETCAXLWBFLAPJ-UHFFFAOYSA-N 1 2 262.353 3.705 20 30 CHEDLO C=CCCN(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000344277535 527315849 /nfs/dbraw/zinc/31/58/49/527315849.db2.gz IIVJRGHYWLAMJH-UHFFFAOYSA-N 1 2 296.370 3.830 20 30 CHEDLO CC(=O)NC1CCC(Nc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000330297848 527540148 /nfs/dbraw/zinc/54/01/48/527540148.db2.gz HCNNAYCNHDKZPP-UHFFFAOYSA-N 1 2 287.407 3.660 20 30 CHEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)Cc1ccc(F)cc1 ZINC000356083087 528966206 /nfs/dbraw/zinc/96/62/06/528966206.db2.gz IYKOJIDCHTYJPJ-UHFFFAOYSA-N 1 2 289.379 3.564 20 30 CHEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(F)cc1 ZINC000356083087 528966208 /nfs/dbraw/zinc/96/62/08/528966208.db2.gz IYKOJIDCHTYJPJ-UHFFFAOYSA-N 1 2 289.379 3.564 20 30 CHEDLO CC[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)O1 ZINC000330208069 529253096 /nfs/dbraw/zinc/25/30/96/529253096.db2.gz ASWKXXDSVCVTEO-SWLSCSKDSA-N 1 2 299.374 3.931 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000343241201 1123095515 /nfs/dbraw/zinc/09/55/15/1123095515.db2.gz XYJZLQDHJNQSGN-CQSZACIVSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000343241201 1123095516 /nfs/dbraw/zinc/09/55/16/1123095516.db2.gz XYJZLQDHJNQSGN-CQSZACIVSA-N 1 2 260.768 3.781 20 30 CHEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171918685 1132110390 /nfs/dbraw/zinc/11/03/90/1132110390.db2.gz MQSKFPVWCVBKAL-KVULBXGLSA-N 1 2 294.439 3.559 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCc2cc3ccccc3[nH]2)c1 ZINC000135056218 1125575811 /nfs/dbraw/zinc/57/58/11/1125575811.db2.gz IPUWLZFRCICQPT-XDHOZWIPSA-N 1 2 294.354 3.544 20 30 CHEDLO Cc1nc(N[C@H](CCCC#N)c2ccccc2)cc[nH+]1 ZINC000431497350 1125582578 /nfs/dbraw/zinc/58/25/78/1125582578.db2.gz VQPQOKPDTIOQCM-OAHLLOKOSA-N 1 2 266.348 3.632 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000067399729 1125626612 /nfs/dbraw/zinc/62/66/12/1125626612.db2.gz CZCWLMMBAHAATQ-UHFFFAOYSA-N 1 2 260.362 3.555 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1c(O)cccc1F ZINC000886638381 1125700466 /nfs/dbraw/zinc/70/04/66/1125700466.db2.gz SEMMYWJSBWNBIU-GFCCVEGCSA-N 1 2 276.355 3.656 20 30 CHEDLO CCSCc1cc[nH+]c(NCc2cccc(C#N)c2)c1 ZINC000090228408 1125740569 /nfs/dbraw/zinc/74/05/69/1125740569.db2.gz NZFARBOKFSSGMX-UHFFFAOYSA-N 1 2 283.400 3.818 20 30 CHEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1nccs1 ZINC000090665219 1125743471 /nfs/dbraw/zinc/74/34/71/1125743471.db2.gz GVPFTCHOEOMFSW-GXTWGEPZSA-N 1 2 271.389 3.839 20 30 CHEDLO Cc1ccccc1CNc1[nH+]cccc1OCCCC#N ZINC000162251672 1125744951 /nfs/dbraw/zinc/74/49/51/1125744951.db2.gz LMBHBSCOBVWFCV-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1Oc1cccnc1 ZINC000093090872 1125765003 /nfs/dbraw/zinc/76/50/03/1125765003.db2.gz UYELKRJWPOUJBX-HNNXBMFYSA-N 1 2 295.386 3.916 20 30 CHEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1Oc1cccnc1 ZINC000093090872 1125765010 /nfs/dbraw/zinc/76/50/10/1125765010.db2.gz UYELKRJWPOUJBX-HNNXBMFYSA-N 1 2 295.386 3.916 20 30 CHEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000483947488 1126806645 /nfs/dbraw/zinc/80/66/45/1126806645.db2.gz XWDRMNVNLJCPMC-FXAWDEMLSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000483947488 1126806648 /nfs/dbraw/zinc/80/66/48/1126806648.db2.gz XWDRMNVNLJCPMC-FXAWDEMLSA-N 1 2 291.394 3.500 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)C(F)(F)c1ccccc1 ZINC000905087141 1126888866 /nfs/dbraw/zinc/88/88/66/1126888866.db2.gz WGWQKIGREGHXMJ-HJWRWDBZSA-N 1 2 290.313 3.838 20 30 CHEDLO CC(C)c1csc(C[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000269468784 1127040306 /nfs/dbraw/zinc/04/03/06/1127040306.db2.gz ZPRUOGWMCORROZ-UHFFFAOYSA-N 1 2 289.379 3.567 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCCc2ccccc21 ZINC000912962679 1127117573 /nfs/dbraw/zinc/11/75/73/1127117573.db2.gz YNQCABXORQYOIF-DQPIFXJKSA-N 1 2 265.356 3.931 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2CCCc3ccccc32)c1 ZINC000912962644 1127117630 /nfs/dbraw/zinc/11/76/30/1127117630.db2.gz XGAKDOHUZSLYFX-CTFRJJSNSA-N 1 2 295.382 3.940 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3/CCc4ccccc4C3=O)n2c1 ZINC000151376103 1127133709 /nfs/dbraw/zinc/13/37/09/1127133709.db2.gz UAEVPSGDXPUHTA-GDNBJRDFSA-N 1 2 288.350 3.855 20 30 CHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1Cl ZINC000351606914 1127198064 /nfs/dbraw/zinc/19/80/64/1127198064.db2.gz VLEAYZQEUUHFQB-NSHDSACASA-N 1 2 292.766 3.744 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590173253 1127251266 /nfs/dbraw/zinc/25/12/66/1127251266.db2.gz VIBHZOXVZOXUTF-KRWDZBQOSA-N 1 2 271.408 3.639 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590173253 1127251269 /nfs/dbraw/zinc/25/12/69/1127251269.db2.gz VIBHZOXVZOXUTF-KRWDZBQOSA-N 1 2 271.408 3.639 20 30 CHEDLO CCOC(=[NH2+])CCCCO[C@H](C)CC(C)(C)S ZINC001224965010 1127256074 /nfs/dbraw/zinc/25/60/74/1127256074.db2.gz FVAHWYSSNRIQSN-LLVKDONJSA-N 1 2 261.431 3.674 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000573198976 1127297336 /nfs/dbraw/zinc/29/73/36/1127297336.db2.gz FAHVQSPWAJJIJX-GXTWGEPZSA-N 1 2 295.308 3.713 20 30 CHEDLO CC(C)n1c2ccccc2[nH+]c1NCc1cc(C#N)cs1 ZINC000573266494 1127305279 /nfs/dbraw/zinc/30/52/79/1127305279.db2.gz BOPAEZPOVHADEX-UHFFFAOYSA-N 1 2 296.399 3.584 20 30 CHEDLO CC[N@H+](Cc1ccncc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000592062790 1127332279 /nfs/dbraw/zinc/33/22/79/1127332279.db2.gz FJCJRXTVHLGWKS-CQSZACIVSA-N 1 2 295.386 3.545 20 30 CHEDLO CC[N@@H+](Cc1ccncc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000592062790 1127332283 /nfs/dbraw/zinc/33/22/83/1127332283.db2.gz FJCJRXTVHLGWKS-CQSZACIVSA-N 1 2 295.386 3.545 20 30 CHEDLO Cc1c[nH+]c(C)c(NCc2cccc(OCCCC#N)c2)c1 ZINC000593221315 1127380077 /nfs/dbraw/zinc/38/00/77/1127380077.db2.gz GORGMHHSUXZKMR-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(C#N)cc1 ZINC000289341035 1127381818 /nfs/dbraw/zinc/38/18/18/1127381818.db2.gz JIMJBMCUBSISLR-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCC[C@@H]2CCCCO2)c(O)c1 ZINC000761016180 1127381966 /nfs/dbraw/zinc/38/19/66/1127381966.db2.gz VGKDBJLDSUYLNP-VUODPORTSA-N 1 2 291.391 3.559 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C3CC3)c1)C2 ZINC000594623597 1127425360 /nfs/dbraw/zinc/42/53/60/1127425360.db2.gz NDDBHWJUOOMYMD-UHFFFAOYSA-N 1 2 274.367 3.951 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(C3CC3)c1)C2 ZINC000594623597 1127425362 /nfs/dbraw/zinc/42/53/62/1127425362.db2.gz NDDBHWJUOOMYMD-UHFFFAOYSA-N 1 2 274.367 3.951 20 30 CHEDLO COc1c(C)cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC000594612097 1127426107 /nfs/dbraw/zinc/42/61/07/1127426107.db2.gz LJDGSDAFJPHHOV-UHFFFAOYSA-N 1 2 292.382 3.700 20 30 CHEDLO COc1c(C)cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC000594612097 1127426109 /nfs/dbraw/zinc/42/61/09/1127426109.db2.gz LJDGSDAFJPHHOV-UHFFFAOYSA-N 1 2 292.382 3.700 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000594993732 1127444543 /nfs/dbraw/zinc/44/45/43/1127444543.db2.gz GFGFTPXQCMUVGV-ZFWWWQNUSA-N 1 2 272.392 3.967 20 30 CHEDLO CCc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)o1 ZINC000595090927 1127454555 /nfs/dbraw/zinc/45/45/55/1127454555.db2.gz LBLNWAZUOXDSBX-ZDUSSCGKSA-N 1 2 260.381 3.967 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)CCSc1cccc(Cl)c1 ZINC000595302144 1127459759 /nfs/dbraw/zinc/45/97/59/1127459759.db2.gz RYFUYTUXQMAKKW-LLVKDONJSA-N 1 2 268.813 3.524 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)CCSc1cccc(Cl)c1 ZINC000595302144 1127459760 /nfs/dbraw/zinc/45/97/60/1127459760.db2.gz RYFUYTUXQMAKKW-LLVKDONJSA-N 1 2 268.813 3.524 20 30 CHEDLO Cc1ccccc1[C@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120311 1127474752 /nfs/dbraw/zinc/47/47/52/1127474752.db2.gz OJYCMTZWJWCPQT-AWEZNQCLSA-N 1 2 262.356 3.944 20 30 CHEDLO Cc1ccccc1[C@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120311 1127474754 /nfs/dbraw/zinc/47/47/54/1127474754.db2.gz OJYCMTZWJWCPQT-AWEZNQCLSA-N 1 2 262.356 3.944 20 30 CHEDLO CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@H](C)C#N ZINC000595812282 1127475620 /nfs/dbraw/zinc/47/56/20/1127475620.db2.gz DNNJHSUURGHEKD-GFCCVEGCSA-N 1 2 284.325 3.872 20 30 CHEDLO CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)[C@H](C)C#N ZINC000595812282 1127475622 /nfs/dbraw/zinc/47/56/22/1127475622.db2.gz DNNJHSUURGHEKD-GFCCVEGCSA-N 1 2 284.325 3.872 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC000593122941 1127476395 /nfs/dbraw/zinc/47/63/95/1127476395.db2.gz CGQZMRRQLYIKCC-UHFFFAOYSA-N 1 2 276.330 3.699 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC000593122941 1127476397 /nfs/dbraw/zinc/47/63/97/1127476397.db2.gz CGQZMRRQLYIKCC-UHFFFAOYSA-N 1 2 276.330 3.699 20 30 CHEDLO COCC[C@H](c1ccccc1)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127928 1127479976 /nfs/dbraw/zinc/47/99/76/1127479976.db2.gz XXKSXDUIXXZJPU-LJQANCHMSA-N 1 2 292.382 3.652 20 30 CHEDLO COCC[C@H](c1ccccc1)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127928 1127479977 /nfs/dbraw/zinc/47/99/77/1127479977.db2.gz XXKSXDUIXXZJPU-LJQANCHMSA-N 1 2 292.382 3.652 20 30 CHEDLO CCCC[N@H+](CC#N)Cc1c(O)ccc2ccccc21 ZINC001231591185 1127486200 /nfs/dbraw/zinc/48/62/00/1127486200.db2.gz XMAXLAYRYXGTJG-UHFFFAOYSA-N 1 2 268.360 3.671 20 30 CHEDLO CCCC[N@@H+](CC#N)Cc1c(O)ccc2ccccc21 ZINC001231591185 1127486201 /nfs/dbraw/zinc/48/62/01/1127486201.db2.gz XMAXLAYRYXGTJG-UHFFFAOYSA-N 1 2 268.360 3.671 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000597232049 1127535554 /nfs/dbraw/zinc/53/55/54/1127535554.db2.gz RJQOMXPLMMYHJP-OAHLLOKOSA-N 1 2 280.774 3.647 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000597232049 1127535557 /nfs/dbraw/zinc/53/55/57/1127535557.db2.gz RJQOMXPLMMYHJP-OAHLLOKOSA-N 1 2 280.774 3.647 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597231152 1127536075 /nfs/dbraw/zinc/53/60/75/1127536075.db2.gz KXUUSDSYUFKPLS-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597231152 1127536076 /nfs/dbraw/zinc/53/60/76/1127536076.db2.gz KXUUSDSYUFKPLS-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602437527 1127578299 /nfs/dbraw/zinc/57/82/99/1127578299.db2.gz BFFWAIWUCOYSJA-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602437527 1127578305 /nfs/dbraw/zinc/57/83/05/1127578305.db2.gz BFFWAIWUCOYSJA-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO CCSCc1cc[nH+]c(NC[C@H](C)CCC#N)c1 ZINC000602577522 1127596383 /nfs/dbraw/zinc/59/63/83/1127596383.db2.gz PUUSLIHDXDMXGM-GFCCVEGCSA-N 1 2 263.410 3.686 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000602704616 1127606947 /nfs/dbraw/zinc/60/69/47/1127606947.db2.gz BHIZMDRPZCGQFT-SNVBAGLBSA-N 1 2 298.217 3.701 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000602704616 1127606949 /nfs/dbraw/zinc/60/69/49/1127606949.db2.gz BHIZMDRPZCGQFT-SNVBAGLBSA-N 1 2 298.217 3.701 20 30 CHEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CC3(CC#N)CC3)[nH]c2c1 ZINC000602828548 1127616084 /nfs/dbraw/zinc/61/60/84/1127616084.db2.gz OAXJVUHLPCUXPW-INIZCTEOSA-N 1 2 294.402 3.702 20 30 CHEDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CC3(CC#N)CC3)[nH]c2c1 ZINC000602828548 1127616086 /nfs/dbraw/zinc/61/60/86/1127616086.db2.gz OAXJVUHLPCUXPW-INIZCTEOSA-N 1 2 294.402 3.702 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975770 1127624974 /nfs/dbraw/zinc/62/49/74/1127624974.db2.gz HCEBMTZMSYLYDT-HOCLYGCPSA-N 1 2 272.392 3.598 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975770 1127624975 /nfs/dbraw/zinc/62/49/75/1127624975.db2.gz HCEBMTZMSYLYDT-HOCLYGCPSA-N 1 2 272.392 3.598 20 30 CHEDLO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602976235 1127625024 /nfs/dbraw/zinc/62/50/24/1127625024.db2.gz NBQWFKKBMDTZLL-SUMWQHHRSA-N 1 2 299.349 3.605 20 30 CHEDLO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602976235 1127625026 /nfs/dbraw/zinc/62/50/26/1127625026.db2.gz NBQWFKKBMDTZLL-SUMWQHHRSA-N 1 2 299.349 3.605 20 30 CHEDLO Cc1csc([C@H](C)[NH2+]CC2(C#N)CCCCC2)n1 ZINC000599055471 1127654809 /nfs/dbraw/zinc/65/48/09/1127654809.db2.gz SHJQZKNCVJXYPO-LBPRGKRZSA-N 1 2 263.410 3.576 20 30 CHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000599674698 1127686222 /nfs/dbraw/zinc/68/62/22/1127686222.db2.gz BBTUIANKNOTYQK-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccc(F)c1F)C2 ZINC000599674698 1127686224 /nfs/dbraw/zinc/68/62/24/1127686224.db2.gz BBTUIANKNOTYQK-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000298682107 1127729659 /nfs/dbraw/zinc/72/96/59/1127729659.db2.gz AAJIGMOUXYZNOC-UHFFFAOYSA-N 1 2 292.386 3.556 20 30 CHEDLO Cc1nc(C[N@H+](C)CCC2(C#N)CCCCC2)cs1 ZINC000411193877 1127845808 /nfs/dbraw/zinc/84/58/08/1127845808.db2.gz FVKYVNPWGOSBRK-UHFFFAOYSA-N 1 2 277.437 3.748 20 30 CHEDLO Cc1nc(C[N@@H+](C)CCC2(C#N)CCCCC2)cs1 ZINC000411193877 1127845813 /nfs/dbraw/zinc/84/58/13/1127845813.db2.gz FVKYVNPWGOSBRK-UHFFFAOYSA-N 1 2 277.437 3.748 20 30 CHEDLO Cc1ccc2ncc(C[N@@H+](C)CC(C)(C)C#N)cc2c1 ZINC000411778728 1127873952 /nfs/dbraw/zinc/87/39/52/1127873952.db2.gz GQAVDJOZJSGMED-UHFFFAOYSA-N 1 2 267.376 3.525 20 30 CHEDLO Cc1ccc2ncc(C[N@H+](C)CC(C)(C)C#N)cc2c1 ZINC000411778728 1127873956 /nfs/dbraw/zinc/87/39/56/1127873956.db2.gz GQAVDJOZJSGMED-UHFFFAOYSA-N 1 2 267.376 3.525 20 30 CHEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000411965853 1127882262 /nfs/dbraw/zinc/88/22/62/1127882262.db2.gz XNJVRCAJVKIGNQ-UHFFFAOYSA-N 1 2 284.403 3.925 20 30 CHEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCCCC(C)(C)C#N)C2 ZINC000411965853 1127882268 /nfs/dbraw/zinc/88/22/68/1127882268.db2.gz XNJVRCAJVKIGNQ-UHFFFAOYSA-N 1 2 284.403 3.925 20 30 CHEDLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(C#N)cc1 ZINC000595106049 1127955085 /nfs/dbraw/zinc/95/50/85/1127955085.db2.gz HFGUFDSYPNEUIL-LLVKDONJSA-N 1 2 266.335 3.890 20 30 CHEDLO C[N@H+](CCC(C)(C)C#N)Cc1c(F)cccc1Cl ZINC000540667737 1127990405 /nfs/dbraw/zinc/99/04/05/1127990405.db2.gz NFHLLYALUOTKBE-UHFFFAOYSA-N 1 2 268.763 3.851 20 30 CHEDLO C[N@@H+](CCC(C)(C)C#N)Cc1c(F)cccc1Cl ZINC000540667737 1127990408 /nfs/dbraw/zinc/99/04/08/1127990408.db2.gz NFHLLYALUOTKBE-UHFFFAOYSA-N 1 2 268.763 3.851 20 30 CHEDLO N#CC1(CCCC[N@@H+]2CCOC[C@@H]2c2ccco2)CCC1 ZINC000929665992 1128009973 /nfs/dbraw/zinc/00/99/73/1128009973.db2.gz DLNSECXHVANVGQ-OAHLLOKOSA-N 1 2 288.391 3.517 20 30 CHEDLO N#CC1(CCCC[N@H+]2CCOC[C@@H]2c2ccco2)CCC1 ZINC000929665992 1128009978 /nfs/dbraw/zinc/00/99/78/1128009978.db2.gz DLNSECXHVANVGQ-OAHLLOKOSA-N 1 2 288.391 3.517 20 30 CHEDLO C#C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000491689912 1128075197 /nfs/dbraw/zinc/07/51/97/1128075197.db2.gz KXQZZSLXQJWRJO-WFASDCNBSA-N 1 2 270.763 3.760 20 30 CHEDLO CC[C@H]([NH2+]CCc1cccs1)c1cccc(C#N)c1O ZINC000924555087 1128104667 /nfs/dbraw/zinc/10/46/67/1128104667.db2.gz VDVFFQSWLXDOPF-HNNXBMFYSA-N 1 2 286.400 3.609 20 30 CHEDLO Cc1cc([NH2+][C@@H](C)CC(C)(C)C#N)ccc1N(C)C ZINC000926052806 1128151283 /nfs/dbraw/zinc/15/12/83/1128151283.db2.gz OWUPVNZTQFDICP-ZDUSSCGKSA-N 1 2 259.397 3.801 20 30 CHEDLO Cc1cc(N[C@@H](C)CC(C)(C)C#N)ccc1[NH+](C)C ZINC000926052806 1128151286 /nfs/dbraw/zinc/15/12/86/1128151286.db2.gz OWUPVNZTQFDICP-ZDUSSCGKSA-N 1 2 259.397 3.801 20 30 CHEDLO CCCCCCCCC[N@H+](C)Cc1nncs1 ZINC000929329879 1128270293 /nfs/dbraw/zinc/27/02/93/1128270293.db2.gz XWZIXVCAIYXTNZ-UHFFFAOYSA-N 1 2 255.431 3.721 20 30 CHEDLO CCCCCCCCC[N@@H+](C)Cc1nncs1 ZINC000929329879 1128270296 /nfs/dbraw/zinc/27/02/96/1128270296.db2.gz XWZIXVCAIYXTNZ-UHFFFAOYSA-N 1 2 255.431 3.721 20 30 CHEDLO CC(=NNc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916246041 1128413147 /nfs/dbraw/zinc/41/31/47/1128413147.db2.gz VTEHAUVXDHBFGE-UHFFFAOYSA-N 1 2 276.343 3.708 20 30 CHEDLO CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257478554 1128490473 /nfs/dbraw/zinc/49/04/73/1128490473.db2.gz RTVNLSMKSICVJZ-YDHLFZDLSA-N 1 2 281.465 3.865 20 30 CHEDLO CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257478554 1128490475 /nfs/dbraw/zinc/49/04/75/1128490475.db2.gz RTVNLSMKSICVJZ-YDHLFZDLSA-N 1 2 281.465 3.865 20 30 CHEDLO C=CC[C@@H]1N(C(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1(C)C ZINC000935674617 1128498338 /nfs/dbraw/zinc/49/83/38/1128498338.db2.gz HFGIVKPLKDRWMH-INIZCTEOSA-N 1 2 297.402 3.770 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000565742597 1128532327 /nfs/dbraw/zinc/53/23/27/1128532327.db2.gz FHJQALRNACVGOC-DLGQBQFBSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000565742597 1128532330 /nfs/dbraw/zinc/53/23/30/1128532330.db2.gz FHJQALRNACVGOC-DLGQBQFBSA-N 1 2 276.330 3.602 20 30 CHEDLO C=CC[N@@H+](C)Cc1c(Cl)cccc1OC(F)F ZINC000154773447 1128560013 /nfs/dbraw/zinc/56/00/13/1128560013.db2.gz XAOORXUNFCWBSA-UHFFFAOYSA-N 1 2 261.699 3.559 20 30 CHEDLO C=CC[N@H+](C)Cc1c(Cl)cccc1OC(F)F ZINC000154773447 1128560016 /nfs/dbraw/zinc/56/00/16/1128560016.db2.gz XAOORXUNFCWBSA-UHFFFAOYSA-N 1 2 261.699 3.559 20 30 CHEDLO C=C(Cl)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185330520 1117811593 /nfs/dbraw/zinc/81/15/93/1117811593.db2.gz FEFCHWOKPSKXFX-JTQLQIEISA-N 1 2 257.711 3.507 20 30 CHEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185330520 1117811600 /nfs/dbraw/zinc/81/16/00/1117811600.db2.gz FEFCHWOKPSKXFX-JTQLQIEISA-N 1 2 257.711 3.507 20 30 CHEDLO C[C@@]1(F)CCCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188350 1117815617 /nfs/dbraw/zinc/81/56/17/1117815617.db2.gz ASYZPUOIXIJDOF-OAHLLOKOSA-N 1 2 280.774 3.926 20 30 CHEDLO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188350 1117815622 /nfs/dbraw/zinc/81/56/22/1117815622.db2.gz ASYZPUOIXIJDOF-OAHLLOKOSA-N 1 2 280.774 3.926 20 30 CHEDLO C=CC[N@@H+](CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000610132637 1128739266 /nfs/dbraw/zinc/73/92/66/1128739266.db2.gz SQVNCNPDOYWJGO-UHFFFAOYSA-N 1 2 288.269 3.535 20 30 CHEDLO C=CC[N@H+](CCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000610132637 1128739270 /nfs/dbraw/zinc/73/92/70/1128739270.db2.gz SQVNCNPDOYWJGO-UHFFFAOYSA-N 1 2 288.269 3.535 20 30 CHEDLO N#CCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000339608467 1117914369 /nfs/dbraw/zinc/91/43/69/1117914369.db2.gz NVEVFENUYXBQLY-SFHVURJKSA-N 1 2 262.356 3.548 20 30 CHEDLO N#CCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000339608467 1117914374 /nfs/dbraw/zinc/91/43/74/1117914374.db2.gz NVEVFENUYXBQLY-SFHVURJKSA-N 1 2 262.356 3.548 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1C ZINC000254950784 1117914673 /nfs/dbraw/zinc/91/46/73/1117914673.db2.gz YBXBQKFKOLTPHH-KTKRTIGZSA-N 1 2 276.339 3.847 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C1CC(c2ccccc2)C1 ZINC000728226505 1118032146 /nfs/dbraw/zinc/03/21/46/1118032146.db2.gz RDMMWKXMPCUKCW-PDGQHHTCSA-N 1 2 251.329 3.757 20 30 CHEDLO CCCCCOc1cc(C)ccc1C[NH2+]CCC#N ZINC000579581994 1128752285 /nfs/dbraw/zinc/75/22/85/1128752285.db2.gz DVHMECUDZVKYGJ-UHFFFAOYSA-N 1 2 260.381 3.567 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccccc2)cc1 ZINC000052869777 1118061761 /nfs/dbraw/zinc/06/17/61/1118061761.db2.gz CFZDMJDRQLMYEW-UHFFFAOYSA-N 1 2 250.345 3.699 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccccc2)cc1 ZINC000052869777 1118061767 /nfs/dbraw/zinc/06/17/67/1118061767.db2.gz CFZDMJDRQLMYEW-UHFFFAOYSA-N 1 2 250.345 3.699 20 30 CHEDLO N#CCC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000782087857 1118074634 /nfs/dbraw/zinc/07/46/34/1118074634.db2.gz HXGAVLRGPWCMQV-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO COc1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001238795745 1118084338 /nfs/dbraw/zinc/08/43/38/1118084338.db2.gz VENLFXQGAILQBN-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001238795745 1118084333 /nfs/dbraw/zinc/08/43/33/1118084333.db2.gz VENLFXQGAILQBN-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO CC[C@](C)(C#N)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000375608440 1118089528 /nfs/dbraw/zinc/08/95/28/1118089528.db2.gz YEEFAXTZASKDBM-QGZVFWFLSA-N 1 2 296.374 3.572 20 30 CHEDLO C#CC[N@@H+](Cc1c(Cl)cccc1N1CCCC1)C1CC1 ZINC000764683086 1118106954 /nfs/dbraw/zinc/10/69/54/1118106954.db2.gz OMBNIJHBXFKOOF-UHFFFAOYSA-N 1 2 288.822 3.538 20 30 CHEDLO C#CC[N@H+](Cc1c(Cl)cccc1N1CCCC1)C1CC1 ZINC000764683086 1118106959 /nfs/dbraw/zinc/10/69/59/1118106959.db2.gz OMBNIJHBXFKOOF-UHFFFAOYSA-N 1 2 288.822 3.538 20 30 CHEDLO C=CCCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000765516211 1118161069 /nfs/dbraw/zinc/16/10/69/1118161069.db2.gz SCEAPVYWTTYUCJ-GDBMZVCRSA-N 1 2 275.392 3.577 20 30 CHEDLO CNc1ccc(Nc2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC001203458281 1118220765 /nfs/dbraw/zinc/22/07/65/1118220765.db2.gz IONUTAVZPUAPAD-UHFFFAOYSA-N 1 2 266.348 3.668 20 30 CHEDLO C[C@@H]1CC(=O)C=C(Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC001210776295 1118383155 /nfs/dbraw/zinc/38/31/55/1118383155.db2.gz PVKMGQIAOCWLIL-AWEZNQCLSA-N 1 2 284.403 3.972 20 30 CHEDLO CC(C)(C)C1=CC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000536170379 1118408794 /nfs/dbraw/zinc/40/87/94/1118408794.db2.gz UEFPOPPBDHPDTK-UHFFFAOYSA-N 1 2 272.367 3.876 20 30 CHEDLO CC(C)(C)C1=CC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000536170379 1118408796 /nfs/dbraw/zinc/40/87/96/1118408796.db2.gz UEFPOPPBDHPDTK-UHFFFAOYSA-N 1 2 272.367 3.876 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCCOC2CCCC2)c1O ZINC000255192709 1118418293 /nfs/dbraw/zinc/41/82/93/1118418293.db2.gz KILYNBKVBAKFRO-AQTBWJFISA-N 1 2 291.391 3.559 20 30 CHEDLO C=C(C)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001125480039 1118526667 /nfs/dbraw/zinc/52/66/67/1118526667.db2.gz AFYZDTCCXDCHEO-UHFFFAOYSA-N 1 2 289.766 3.821 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1Cl ZINC000157938580 1118695471 /nfs/dbraw/zinc/69/54/71/1118695471.db2.gz DKVXAYLCWIIEBY-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1Cl ZINC000157938580 1118695475 /nfs/dbraw/zinc/69/54/75/1118695475.db2.gz DKVXAYLCWIIEBY-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1C1CCC1 ZINC000891509383 1118698677 /nfs/dbraw/zinc/69/86/77/1118698677.db2.gz MAVFQENJFJGLKJ-UHFFFAOYSA-N 1 2 287.432 3.858 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1C1CCC1 ZINC000891509383 1118698680 /nfs/dbraw/zinc/69/86/80/1118698680.db2.gz MAVFQENJFJGLKJ-UHFFFAOYSA-N 1 2 287.432 3.858 20 30 CHEDLO CC[C@@H]([NH2+]CCCCCSC)c1cccc(C#N)c1O ZINC000926209921 1118744953 /nfs/dbraw/zinc/74/49/53/1118744953.db2.gz MCOTXVAMRLWOCG-OAHLLOKOSA-N 1 2 292.448 3.838 20 30 CHEDLO COCC#CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000677132573 1118784228 /nfs/dbraw/zinc/78/42/28/1118784228.db2.gz GIQNTEJQIBRBAC-LLVKDONJSA-N 1 2 286.202 3.636 20 30 CHEDLO COCC#CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000677132573 1118784230 /nfs/dbraw/zinc/78/42/30/1118784230.db2.gz GIQNTEJQIBRBAC-LLVKDONJSA-N 1 2 286.202 3.636 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000610719849 1118841076 /nfs/dbraw/zinc/84/10/76/1118841076.db2.gz YQSKJJHFOPKPER-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000610719849 1118841083 /nfs/dbraw/zinc/84/10/83/1118841083.db2.gz YQSKJJHFOPKPER-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1csc(C#N)c1 ZINC000891910019 1118844408 /nfs/dbraw/zinc/84/44/08/1118844408.db2.gz WCBSXTHLQWZIRK-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1csc(C#N)c1 ZINC000891910019 1118844415 /nfs/dbraw/zinc/84/44/15/1118844415.db2.gz WCBSXTHLQWZIRK-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000181306179 1118911572 /nfs/dbraw/zinc/91/15/72/1118911572.db2.gz CWTMFAOZVKEZBI-UHFFFAOYSA-N 1 2 272.417 3.742 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000181306179 1118911575 /nfs/dbraw/zinc/91/15/75/1118911575.db2.gz CWTMFAOZVKEZBI-UHFFFAOYSA-N 1 2 272.417 3.742 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc3c(c2)CCCC3)c1 ZINC000582277470 1119042975 /nfs/dbraw/zinc/04/29/75/1119042975.db2.gz AMKMJBXZJHLHHU-UHFFFAOYSA-N 1 2 277.371 3.639 20 30 CHEDLO C=C1CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000628164348 1128819116 /nfs/dbraw/zinc/81/91/16/1128819116.db2.gz NFBQMFKRUJXDEU-UHFFFAOYSA-N 1 2 261.312 3.919 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000934471450 1119083862 /nfs/dbraw/zinc/08/38/62/1119083862.db2.gz IZRHWBJFQBHVTG-LLVKDONJSA-N 1 2 277.318 3.582 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000934471450 1119083863 /nfs/dbraw/zinc/08/38/63/1119083863.db2.gz IZRHWBJFQBHVTG-LLVKDONJSA-N 1 2 277.318 3.582 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)s1 ZINC000255517254 1119119459 /nfs/dbraw/zinc/11/94/59/1119119459.db2.gz RDNHFLHVCRHYBT-SREVYHEPSA-N 1 2 282.368 3.909 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1ccccc1C#N ZINC001167634829 1119251289 /nfs/dbraw/zinc/25/12/89/1119251289.db2.gz ZFEWZBUSFCJLDB-UHFFFAOYSA-N 1 2 263.344 3.602 20 30 CHEDLO CCCCCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728541599 1119288276 /nfs/dbraw/zinc/28/82/76/1119288276.db2.gz IEMVTOBVHIJQJD-INIZCTEOSA-N 1 2 291.439 3.797 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccsc3)n2c1 ZINC000178767964 1119289241 /nfs/dbraw/zinc/28/92/41/1119289241.db2.gz DGRHOQFNRNEJFO-ONEGZZNKSA-N 1 2 268.341 3.600 20 30 CHEDLO C=C(C)CN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccccc1 ZINC000628255448 1128837057 /nfs/dbraw/zinc/83/70/57/1128837057.db2.gz NAAFKHQKLMATAM-UHFFFAOYSA-N 1 2 269.392 3.605 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C)c(C)[nH]1)Cc1ccccc1 ZINC000628255448 1128837062 /nfs/dbraw/zinc/83/70/62/1128837062.db2.gz NAAFKHQKLMATAM-UHFFFAOYSA-N 1 2 269.392 3.605 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1ccccc1 ZINC000628255448 1128837067 /nfs/dbraw/zinc/83/70/67/1128837067.db2.gz NAAFKHQKLMATAM-UHFFFAOYSA-N 1 2 269.392 3.605 20 30 CHEDLO Cc1cccc(CCCNc2c(F)cc(C#N)cc2F)[nH+]1 ZINC000343236474 1119361212 /nfs/dbraw/zinc/36/12/12/1119361212.db2.gz UQBRSTQNSPESHL-UHFFFAOYSA-N 1 2 287.313 3.585 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000728569997 1119372608 /nfs/dbraw/zinc/37/26/08/1119372608.db2.gz ZMZVFYJVCKRKFD-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000728569997 1119372610 /nfs/dbraw/zinc/37/26/10/1119372610.db2.gz ZMZVFYJVCKRKFD-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1c[nH]c2ccccc21 ZINC000255590046 1119522174 /nfs/dbraw/zinc/52/21/74/1119522174.db2.gz XYMAOYKYAKBEFN-HJWRWDBZSA-N 1 2 287.322 3.712 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721580315 1119558576 /nfs/dbraw/zinc/55/85/76/1119558576.db2.gz HVMSYJCGROHUAY-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721580315 1119558578 /nfs/dbraw/zinc/55/85/78/1119558578.db2.gz HVMSYJCGROHUAY-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000472348998 1119656466 /nfs/dbraw/zinc/65/64/66/1119656466.db2.gz NGPJPIVPUPSPLB-SFHVURJKSA-N 1 2 297.377 3.763 20 30 CHEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000472348998 1119656467 /nfs/dbraw/zinc/65/64/67/1119656467.db2.gz NGPJPIVPUPSPLB-SFHVURJKSA-N 1 2 297.377 3.763 20 30 CHEDLO Cc1[nH]c(/C=C2\C(=O)c3ccsc3S[C@H]2C)[nH+]c1C ZINC000901477998 1128863998 /nfs/dbraw/zinc/86/39/98/1128863998.db2.gz RIIULKIRNWGKNE-ISAHRAOESA-N 1 2 290.413 3.849 20 30 CHEDLO CC(C)COc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166940 1119739868 /nfs/dbraw/zinc/73/98/68/1119739868.db2.gz FVBXNFDRPCVSMH-SFHVURJKSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166940 1119739869 /nfs/dbraw/zinc/73/98/69/1119739869.db2.gz FVBXNFDRPCVSMH-SFHVURJKSA-N 1 2 286.419 3.847 20 30 CHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000255881696 1119863708 /nfs/dbraw/zinc/86/37/08/1119863708.db2.gz LUGMSGGRDHLEDW-YFHOEESVSA-N 1 2 292.338 3.547 20 30 CHEDLO C=CCC(C)(C)c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924080118 1119879916 /nfs/dbraw/zinc/87/99/16/1119879916.db2.gz IHXWDCCYDYSKLZ-ZDUSSCGKSA-N 1 2 288.395 3.755 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000414125331 1119907373 /nfs/dbraw/zinc/90/73/73/1119907373.db2.gz CSWSBWABMCOBTC-ZBEGNZNMSA-N 1 2 291.345 3.666 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000414125327 1119907474 /nfs/dbraw/zinc/90/74/74/1119907474.db2.gz CSWSBWABMCOBTC-BZNIZROVSA-N 1 2 291.345 3.666 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1C ZINC000180314147 1119980925 /nfs/dbraw/zinc/98/09/25/1119980925.db2.gz YBXBQKFKOLTPHH-MDZDMXLPSA-N 1 2 276.339 3.847 20 30 CHEDLO C=CC[N@@H+](Cc1ccoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000414378628 1120008342 /nfs/dbraw/zinc/00/83/42/1120008342.db2.gz HCSOZDBKDUIBOW-UHFFFAOYSA-N 1 2 286.331 3.684 20 30 CHEDLO C=CC[N@H+](Cc1ccoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000414378628 1120008345 /nfs/dbraw/zinc/00/83/45/1120008345.db2.gz HCSOZDBKDUIBOW-UHFFFAOYSA-N 1 2 286.331 3.684 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000613540385 1120020588 /nfs/dbraw/zinc/02/05/88/1120020588.db2.gz UCSMTDWJNCBJGF-GOSISDBHSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCOc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000613540385 1120020592 /nfs/dbraw/zinc/02/05/92/1120020592.db2.gz UCSMTDWJNCBJGF-GOSISDBHSA-N 1 2 286.419 3.991 20 30 CHEDLO CC(C)Oc1cc(N[C@@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC001167710415 1120070511 /nfs/dbraw/zinc/07/05/11/1120070511.db2.gz NPYWZSZXUAYMOP-ZDUSSCGKSA-N 1 2 281.359 3.914 20 30 CHEDLO N#CC[N@H+](CC/C=C\c1ccccc1)C1CCCC1 ZINC000323368972 1120114968 /nfs/dbraw/zinc/11/49/68/1120114968.db2.gz FBSYPHPYPSPURB-POHAHGRESA-N 1 2 254.377 3.858 20 30 CHEDLO N#CC[N@@H+](CC/C=C\c1ccccc1)C1CCCC1 ZINC000323368972 1120114970 /nfs/dbraw/zinc/11/49/70/1120114970.db2.gz FBSYPHPYPSPURB-POHAHGRESA-N 1 2 254.377 3.858 20 30 CHEDLO Cc1nsc(Nc2ccc(NC3CCCC3)[nH+]c2)c1C#N ZINC000554675486 1120164052 /nfs/dbraw/zinc/16/40/52/1120164052.db2.gz MCMMPTBSFZWANM-UHFFFAOYSA-N 1 2 299.403 3.816 20 30 CHEDLO Cc1cc(C)cc([C@H]([NH2+]CC2(C#N)CC2)c2cccnc2)c1 ZINC000926873530 1120172495 /nfs/dbraw/zinc/17/24/95/1120172495.db2.gz GIXHLCJLLHJELN-GOSISDBHSA-N 1 2 291.398 3.681 20 30 CHEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](C#N)CCC#N ZINC000072589682 1120197491 /nfs/dbraw/zinc/19/74/91/1120197491.db2.gz TZKHYISRBPSERD-CYBMUJFWSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](C#N)CCC#N ZINC000072589682 1120197493 /nfs/dbraw/zinc/19/74/93/1120197493.db2.gz TZKHYISRBPSERD-CYBMUJFWSA-N 1 2 295.308 3.581 20 30 CHEDLO C[C@H](Nc1ccc(CCC#N)cc1)c1cn2c([nH+]1)CCCC2 ZINC000926892611 1120201358 /nfs/dbraw/zinc/20/13/58/1120201358.db2.gz KDNJAINBTYIZQZ-AWEZNQCLSA-N 1 2 294.402 3.849 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1cccc(Br)c1 ZINC000428845893 1120375336 /nfs/dbraw/zinc/37/53/36/1120375336.db2.gz OEVTUZVYZBGUOD-GFCCVEGCSA-N 1 2 293.208 3.912 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H](C)c1cccc(Br)c1 ZINC000428845893 1120375340 /nfs/dbraw/zinc/37/53/40/1120375340.db2.gz OEVTUZVYZBGUOD-GFCCVEGCSA-N 1 2 293.208 3.912 20 30 CHEDLO CN1CCCc2cc([NH2+][C@@H]3CCC[C@H](C#N)C3)ccc21 ZINC000185887753 1120388006 /nfs/dbraw/zinc/38/80/06/1120388006.db2.gz DWWVUUJIROWHNS-DZGCQCFKSA-N 1 2 269.392 3.563 20 30 CHEDLO C[N@@H+]1CCCc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc21 ZINC000185887753 1120388010 /nfs/dbraw/zinc/38/80/10/1120388010.db2.gz DWWVUUJIROWHNS-DZGCQCFKSA-N 1 2 269.392 3.563 20 30 CHEDLO C[N@H+]1CCCc2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc21 ZINC000185887753 1120388015 /nfs/dbraw/zinc/38/80/15/1120388015.db2.gz DWWVUUJIROWHNS-DZGCQCFKSA-N 1 2 269.392 3.563 20 30 CHEDLO C=CC[N@H+](Cc1occc1Br)C(C)(C)C ZINC001143135004 1120449170 /nfs/dbraw/zinc/44/91/70/1120449170.db2.gz CJWNLVQNFBWOPT-UHFFFAOYSA-N 1 2 272.186 3.829 20 30 CHEDLO C=CC[N@@H+](Cc1occc1Br)C(C)(C)C ZINC001143135004 1120449173 /nfs/dbraw/zinc/44/91/73/1120449173.db2.gz CJWNLVQNFBWOPT-UHFFFAOYSA-N 1 2 272.186 3.829 20 30 CHEDLO C=CC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428920918 1120568192 /nfs/dbraw/zinc/56/81/92/1120568192.db2.gz AQFOGMRTUBGLQM-SMDDNHRTSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428920918 1120568197 /nfs/dbraw/zinc/56/81/97/1120568197.db2.gz AQFOGMRTUBGLQM-SMDDNHRTSA-N 1 2 285.309 3.653 20 30 CHEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428944890 1120581526 /nfs/dbraw/zinc/58/15/26/1120581526.db2.gz VONUSKBLLYHPNG-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428944890 1120581528 /nfs/dbraw/zinc/58/15/28/1120581528.db2.gz VONUSKBLLYHPNG-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(F)c1C#N)C2 ZINC000428986746 1120599552 /nfs/dbraw/zinc/59/95/52/1120599552.db2.gz PQWOVYREPOWUJA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc2c(c1)CC[N@H+](Cc1cccc(F)c1C#N)C2 ZINC000428986746 1120599556 /nfs/dbraw/zinc/59/95/56/1120599556.db2.gz PQWOVYREPOWUJA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCCc3scnc32)CCCCC1 ZINC000599053122 1120871096 /nfs/dbraw/zinc/87/10/96/1120871096.db2.gz DJTRSFFRLAEFRG-LBPRGKRZSA-N 1 2 275.421 3.584 20 30 CHEDLO CC1(C#N)CCC([NH2+]c2ccc3c(c2)CCN3)CC1 ZINC000335054964 1121060029 /nfs/dbraw/zinc/06/00/29/1121060029.db2.gz PBGBBCYWKYDJNQ-UHFFFAOYSA-N 1 2 255.365 3.539 20 30 CHEDLO N#C[C@H]1CC[C@H](Nc2cccc(Cc3ccncc3)[nH+]2)CC1 ZINC001167845062 1121079948 /nfs/dbraw/zinc/07/99/48/1121079948.db2.gz XQVHZPDTQFREJQ-WKILWMFISA-N 1 2 292.386 3.562 20 30 CHEDLO C#CCCC[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000773975980 1121129738 /nfs/dbraw/zinc/12/97/38/1121129738.db2.gz XIAKOULUQNFCQO-UHFFFAOYSA-N 1 2 272.779 3.524 20 30 CHEDLO C#CCCC[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000773975980 1121129743 /nfs/dbraw/zinc/12/97/43/1121129743.db2.gz XIAKOULUQNFCQO-UHFFFAOYSA-N 1 2 272.779 3.524 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1c(C)noc1C ZINC000182458139 1128971982 /nfs/dbraw/zinc/97/19/82/1128971982.db2.gz QAGLPIOMSLUFJU-HNNXBMFYSA-N 1 2 287.338 3.543 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1nc(Cl)ccc1Cl ZINC000766106256 1121262149 /nfs/dbraw/zinc/26/21/49/1121262149.db2.gz BQJILTJLEFJBSC-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1nc(Cl)ccc1Cl ZINC000766106256 1121262152 /nfs/dbraw/zinc/26/21/52/1121262152.db2.gz BQJILTJLEFJBSC-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C[C@H](C#N)c1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1 ZINC001175343392 1121273070 /nfs/dbraw/zinc/27/30/70/1121273070.db2.gz HVSAIFPJLNGAEF-GFCCVEGCSA-N 1 2 266.348 3.518 20 30 CHEDLO Cc1cc(NCC(C)(C)CCC#N)nc(C2CCC2)[nH+]1 ZINC000893866472 1121433198 /nfs/dbraw/zinc/43/31/98/1121433198.db2.gz HWRQLDAGBMPHRB-UHFFFAOYSA-N 1 2 272.396 3.794 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1ccc(Cl)cc1C#N ZINC000614159442 1121497190 /nfs/dbraw/zinc/49/71/90/1121497190.db2.gz DMAOHPQJZHCSQH-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1ccc(Cl)cc1C#N ZINC000614159442 1121497193 /nfs/dbraw/zinc/49/71/93/1121497193.db2.gz DMAOHPQJZHCSQH-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C#Cc1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001175972518 1121508524 /nfs/dbraw/zinc/50/85/24/1121508524.db2.gz XXTQWGDVIXPRCB-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO N#CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000425991102 1121526578 /nfs/dbraw/zinc/52/65/78/1121526578.db2.gz RNYVWBHWQALTRU-UHFFFAOYSA-N 1 2 278.783 3.665 20 30 CHEDLO C#CC[N@@H+](Cc1ccncc1F)[C@H]1CCCc2ccccc21 ZINC001176451433 1121633824 /nfs/dbraw/zinc/63/38/24/1121633824.db2.gz CAABEKDUHLMEIX-IBGZPJMESA-N 1 2 294.373 3.734 20 30 CHEDLO C#CC[N@H+](Cc1ccncc1F)[C@H]1CCCc2ccccc21 ZINC001176451433 1121633827 /nfs/dbraw/zinc/63/38/27/1121633827.db2.gz CAABEKDUHLMEIX-IBGZPJMESA-N 1 2 294.373 3.734 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC(C)(C)C#N ZINC000433302976 1121642221 /nfs/dbraw/zinc/64/22/21/1121642221.db2.gz ZIKYWEAAHQRTRI-CQSZACIVSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(C)(C)C#N ZINC000433302976 1121642225 /nfs/dbraw/zinc/64/22/25/1121642225.db2.gz ZIKYWEAAHQRTRI-CQSZACIVSA-N 1 2 266.335 3.897 20 30 CHEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1F ZINC001176614019 1121660325 /nfs/dbraw/zinc/66/03/25/1121660325.db2.gz QCSHAWMCMDKWSK-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001176615277 1121660555 /nfs/dbraw/zinc/66/05/55/1121660555.db2.gz CAGPFTYLECWBTM-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO Cc1sc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1C ZINC001176743295 1121686149 /nfs/dbraw/zinc/68/61/49/1121686149.db2.gz IAUUTBHHCHPPNZ-UHFFFAOYSA-N 1 2 298.415 3.975 20 30 CHEDLO N#CCCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000171417239 1121687769 /nfs/dbraw/zinc/68/77/69/1121687769.db2.gz DQFGAEBYJSEMMB-LDADJPATSA-N 1 2 252.317 3.658 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccsc2Br)C1 ZINC000397647871 1121692681 /nfs/dbraw/zinc/69/26/81/1121692681.db2.gz ZYKXAXUDTUWPAE-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000397647871 1121692683 /nfs/dbraw/zinc/69/26/83/1121692683.db2.gz ZYKXAXUDTUWPAE-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397849434 1121702031 /nfs/dbraw/zinc/70/20/31/1121702031.db2.gz RGRQBJISGXVYTF-LBPRGKRZSA-N 1 2 277.437 3.566 20 30 CHEDLO CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397849434 1121702039 /nfs/dbraw/zinc/70/20/39/1121702039.db2.gz RGRQBJISGXVYTF-LBPRGKRZSA-N 1 2 277.437 3.566 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000025436307 1121710018 /nfs/dbraw/zinc/71/00/18/1121710018.db2.gz SMNWUGQHOOLDBD-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000025436307 1121710020 /nfs/dbraw/zinc/71/00/20/1121710020.db2.gz SMNWUGQHOOLDBD-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccccc1Br ZINC000058337447 1121743168 /nfs/dbraw/zinc/74/31/68/1121743168.db2.gz ZTNOSKOGRFWKRC-UHFFFAOYSA-N 1 2 266.182 3.623 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1c(F)cccc1F ZINC000730146948 1121794924 /nfs/dbraw/zinc/79/49/24/1121794924.db2.gz IIKMKYKROORTOV-UHFFFAOYSA-N 1 2 297.308 3.771 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1sc(C)nc1C ZINC000730148318 1121795208 /nfs/dbraw/zinc/79/52/08/1121795208.db2.gz QJTSSQFJUYPJNQ-UHFFFAOYSA-N 1 2 296.399 3.566 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1Cl ZINC000619749073 1129012462 /nfs/dbraw/zinc/01/24/62/1129012462.db2.gz ZUQWIKIJGXNFFO-UHFFFAOYSA-N 1 2 298.198 3.611 20 30 CHEDLO N#Cc1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cs1 ZINC001179401718 1121874150 /nfs/dbraw/zinc/87/41/50/1121874150.db2.gz JBMYZBDUGRUPRN-AWEZNQCLSA-N 1 2 278.327 3.559 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1c(F)ccc(Br)c1F ZINC000501052194 1121950321 /nfs/dbraw/zinc/95/03/21/1121950321.db2.gz NVVRVVMUWOHSGE-UHFFFAOYSA-N 1 2 290.151 3.735 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1c(F)ccc(Br)c1F ZINC000501052194 1121950326 /nfs/dbraw/zinc/95/03/26/1121950326.db2.gz NVVRVVMUWOHSGE-UHFFFAOYSA-N 1 2 290.151 3.735 20 30 CHEDLO CC(C)c1[nH+]c(C=NOC2CCCC2)c2ccccn21 ZINC000774597252 1122210365 /nfs/dbraw/zinc/21/03/65/1122210365.db2.gz SCJORFYRGBFBIC-UHFFFAOYSA-N 1 2 271.364 3.751 20 30 CHEDLO N#Cc1ccc(Cl)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184967972 1122304263 /nfs/dbraw/zinc/30/42/63/1122304263.db2.gz HUGNZGDUWKBYLL-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185042277 1122312998 /nfs/dbraw/zinc/31/29/98/1122312998.db2.gz CYVLWOKZIAGXDY-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001185043894 1122313998 /nfs/dbraw/zinc/31/39/98/1122313998.db2.gz PQPVWHDZOJGSIE-UHFFFAOYSA-N 1 2 281.334 3.546 20 30 CHEDLO Cc1cc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC000425285195 1122436314 /nfs/dbraw/zinc/43/63/14/1122436314.db2.gz RNKPNTYQRZFOIN-ZDUSSCGKSA-N 1 2 292.386 3.732 20 30 CHEDLO CCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000514932729 1122465955 /nfs/dbraw/zinc/46/59/55/1122465955.db2.gz KZEBVAUCFMQQEW-WBMJQRKESA-N 1 2 291.345 3.839 20 30 CHEDLO Cc1ccc(C[S@@](=O)CCCCC(C)(C)C#N)c(C)[nH+]1 ZINC000436087710 1122511250 /nfs/dbraw/zinc/51/12/50/1122511250.db2.gz KHYZMBAGKWNEJM-FQEVSTJZSA-N 1 2 292.448 3.667 20 30 CHEDLO Cc1cnc(C#N)c(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001203717690 1122531101 /nfs/dbraw/zinc/53/11/01/1122531101.db2.gz LNEWAYXKRAXWQS-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO CC(C)n1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425532665 1122543366 /nfs/dbraw/zinc/54/33/66/1122543366.db2.gz JNDGSGRBPAOHOQ-AWEZNQCLSA-N 1 2 282.391 3.529 20 30 CHEDLO CC(C)n1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425532665 1122543369 /nfs/dbraw/zinc/54/33/69/1122543369.db2.gz JNDGSGRBPAOHOQ-AWEZNQCLSA-N 1 2 282.391 3.529 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCc2c(Br)cccc2C1 ZINC001190722255 1122553095 /nfs/dbraw/zinc/55/30/95/1122553095.db2.gz PGQXHWFLTRIUKJ-LBPRGKRZSA-N 1 2 292.220 3.609 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC001190722255 1122553097 /nfs/dbraw/zinc/55/30/97/1122553097.db2.gz PGQXHWFLTRIUKJ-LBPRGKRZSA-N 1 2 292.220 3.609 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]ccc2c(N)cccc21 ZINC000664572706 1122569352 /nfs/dbraw/zinc/56/93/52/1122569352.db2.gz UOOZKIDAAAHWBW-BETUJISGSA-N 1 2 265.360 3.504 20 30 CHEDLO C#CC[N@@H+](CC)Cc1cc(Cl)cc(Cl)c1F ZINC001191390668 1122595587 /nfs/dbraw/zinc/59/55/87/1122595587.db2.gz NXFVLTVJDZQXII-UHFFFAOYSA-N 1 2 260.139 3.588 20 30 CHEDLO C#CC[N@H+](CC)Cc1cc(Cl)cc(Cl)c1F ZINC001191390668 1122595590 /nfs/dbraw/zinc/59/55/90/1122595590.db2.gz NXFVLTVJDZQXII-UHFFFAOYSA-N 1 2 260.139 3.588 20 30 CHEDLO C=C(C)C[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC001192253556 1122634749 /nfs/dbraw/zinc/63/47/49/1122634749.db2.gz VBIOLWDUXYWEBL-UHFFFAOYSA-N 1 2 256.176 3.928 20 30 CHEDLO C=C(C)C[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC001192253556 1122634755 /nfs/dbraw/zinc/63/47/55/1122634755.db2.gz VBIOLWDUXYWEBL-UHFFFAOYSA-N 1 2 256.176 3.928 20 30 CHEDLO Cc1cccc2c1C[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000429595530 1122728885 /nfs/dbraw/zinc/72/88/85/1122728885.db2.gz KBBKCULEWMMXLW-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1cccc2c1C[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000429595530 1122728891 /nfs/dbraw/zinc/72/88/91/1122728891.db2.gz KBBKCULEWMMXLW-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CC[C@H](C/[NH+]=C/c1cccc(O)c1O)c1ccccc1 ZINC000017309551 1122741593 /nfs/dbraw/zinc/74/15/93/1122741593.db2.gz LOJBKFOQSZHVGC-RNEAKCBISA-N 1 2 269.344 3.711 20 30 CHEDLO CCCCCCCOC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001193993578 1122742115 /nfs/dbraw/zinc/74/21/15/1122742115.db2.gz INESKUVXOVABLZ-UHFFFAOYSA-N 1 2 275.352 3.853 20 30 CHEDLO CCCCCCCCCOC(=O)NCCCn1cc[nH+]c1 ZINC001194902692 1122820180 /nfs/dbraw/zinc/82/01/80/1122820180.db2.gz AWXJQINQLDYYII-UHFFFAOYSA-N 1 2 295.427 3.750 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccn2)[C@@H]1c1cccs1 ZINC001194890495 1122824296 /nfs/dbraw/zinc/82/42/96/1122824296.db2.gz JQCYSRZXRBDOGT-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccn2)[C@@H]1c1cccs1 ZINC001194890495 1122824301 /nfs/dbraw/zinc/82/43/01/1122824301.db2.gz JQCYSRZXRBDOGT-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000664824695 1122865754 /nfs/dbraw/zinc/86/57/54/1122865754.db2.gz XHHFUWDEXZDWKM-GOSISDBHSA-N 1 2 294.373 3.655 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000664824695 1122865760 /nfs/dbraw/zinc/86/57/60/1122865760.db2.gz XHHFUWDEXZDWKM-GOSISDBHSA-N 1 2 294.373 3.655 20 30 CHEDLO Cc1ncc(C[N@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000441146357 1123061971 /nfs/dbraw/zinc/06/19/71/1123061971.db2.gz VCBMLIUBGBMFBH-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ncc(C[N@@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000441146357 1123061973 /nfs/dbraw/zinc/06/19/73/1123061973.db2.gz VCBMLIUBGBMFBH-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1C ZINC000178941412 1123123301 /nfs/dbraw/zinc/12/33/01/1123123301.db2.gz AOTXICKQHRXDFS-CMDGGOBGSA-N 1 2 276.339 3.847 20 30 CHEDLO CCCCCCC[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201761750 1123148727 /nfs/dbraw/zinc/14/87/27/1123148727.db2.gz QTENYKDSDQLZIL-LBPRGKRZSA-N 1 2 251.336 3.884 20 30 CHEDLO CCCCCCC[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201761750 1123148725 /nfs/dbraw/zinc/14/87/25/1123148725.db2.gz QTENYKDSDQLZIL-LBPRGKRZSA-N 1 2 251.336 3.884 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000060168257 1123167490 /nfs/dbraw/zinc/16/74/90/1123167490.db2.gz BVCTVQLEGZIROF-UHFFFAOYSA-N 1 2 271.310 3.600 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000060168257 1123167491 /nfs/dbraw/zinc/16/74/91/1123167491.db2.gz BVCTVQLEGZIROF-UHFFFAOYSA-N 1 2 271.310 3.600 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000428217592 1123282347 /nfs/dbraw/zinc/28/23/47/1123282347.db2.gz KBTIGPAJWBZHFM-SCLBCKFNSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000428217592 1123282349 /nfs/dbraw/zinc/28/23/49/1123282349.db2.gz KBTIGPAJWBZHFM-SCLBCKFNSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428254207 1123328147 /nfs/dbraw/zinc/32/81/47/1123328147.db2.gz UKCFOJHABPJQLX-CYBMUJFWSA-N 1 2 280.346 3.644 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1C#N ZINC000428254207 1123328149 /nfs/dbraw/zinc/32/81/49/1123328149.db2.gz UKCFOJHABPJQLX-CYBMUJFWSA-N 1 2 280.346 3.644 20 30 CHEDLO Cc1[nH+]cc(C=NNc2c(C)cccc2C(C)C)n1C ZINC000853347510 1123435590 /nfs/dbraw/zinc/43/55/90/1123435590.db2.gz LNHQNOQWSFRAKE-UHFFFAOYSA-N 1 2 270.380 3.606 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](C#N)C1 ZINC000895650859 1123499775 /nfs/dbraw/zinc/49/97/75/1123499775.db2.gz PHRUNXMGFDWCMB-AWEZNQCLSA-N 1 2 265.360 3.592 20 30 CHEDLO CCc1ccc2[nH+]ccc(N3CCC[C@H](C#N)C3)c2c1 ZINC000895647420 1123499975 /nfs/dbraw/zinc/49/99/75/1123499975.db2.gz BFCWJSGXGIBIOB-CQSZACIVSA-N 1 2 265.360 3.537 20 30 CHEDLO Cc1nc(C2CC2)oc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000329824278 1123656178 /nfs/dbraw/zinc/65/61/78/1123656178.db2.gz HUMCONVFRUJDOV-UHFFFAOYSA-N 1 2 285.347 3.817 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000194924715 1129140728 /nfs/dbraw/zinc/14/07/28/1129140728.db2.gz CPXZCASOPMYROW-SNVBAGLBSA-N 1 2 270.348 3.735 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000194924715 1129140732 /nfs/dbraw/zinc/14/07/32/1129140732.db2.gz CPXZCASOPMYROW-SNVBAGLBSA-N 1 2 270.348 3.735 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000336330989 1123762201 /nfs/dbraw/zinc/76/22/01/1123762201.db2.gz PMVMYQIUAFLBEQ-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO Cc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)co2)cc1 ZINC000336387321 1123767765 /nfs/dbraw/zinc/76/77/65/1123767765.db2.gz OMCUYUQELXNDGE-UHFFFAOYSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)c(C)[nH+]1 ZINC000119066827 1123826436 /nfs/dbraw/zinc/82/64/36/1123826436.db2.gz UHHLLGGRUUTLBI-CYBMUJFWSA-N 1 2 281.359 3.601 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(C#N)c1O ZINC000866221701 1124038771 /nfs/dbraw/zinc/03/87/71/1124038771.db2.gz UIRXEBVNBXSFBG-SJKOYZFVSA-N 1 2 278.355 3.602 20 30 CHEDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866238383 1124040610 /nfs/dbraw/zinc/04/06/10/1124040610.db2.gz MRDCUHSLOZZKNF-UONOGXRCSA-N 1 2 280.371 3.984 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866249404 1124041695 /nfs/dbraw/zinc/04/16/95/1124041695.db2.gz JXZTWIIGQCQPIU-DIFFPNOSSA-N 1 2 296.345 3.741 20 30 CHEDLO C=CC[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444667555 1124050383 /nfs/dbraw/zinc/05/03/83/1124050383.db2.gz APCIRSWNZDNFTK-UHFFFAOYSA-N 1 2 250.411 3.809 20 30 CHEDLO C=CC[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000444667555 1124050387 /nfs/dbraw/zinc/05/03/87/1124050387.db2.gz APCIRSWNZDNFTK-UHFFFAOYSA-N 1 2 250.411 3.809 20 30 CHEDLO N#Cc1cc(C(F)(F)F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001238842185 1131254289 /nfs/dbraw/zinc/25/42/89/1131254289.db2.gz AWFSIZYTNAVVEQ-UHFFFAOYSA-N 1 2 287.244 3.892 20 30 CHEDLO N#CCC[NH2+][C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000872238510 1124699944 /nfs/dbraw/zinc/69/99/44/1124699944.db2.gz IENKTVUZKGVJOY-MRXNPFEDSA-N 1 2 282.391 3.688 20 30 CHEDLO N#Cc1ccc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001239291297 1131311561 /nfs/dbraw/zinc/31/15/61/1131311561.db2.gz IENYRZBCETVTRF-OWOJBTEDSA-N 1 2 271.323 3.914 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)o1 ZINC000449732747 1124851368 /nfs/dbraw/zinc/85/13/68/1124851368.db2.gz MNIAIUOORFWZBP-INIZCTEOSA-N 1 2 288.297 3.767 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)o1 ZINC000449732747 1124851382 /nfs/dbraw/zinc/85/13/82/1124851382.db2.gz MNIAIUOORFWZBP-INIZCTEOSA-N 1 2 288.297 3.767 20 30 CHEDLO CCCCCCCCCOC(=O)NCc1cc[nH+]c(N)c1 ZINC001239319232 1131316841 /nfs/dbraw/zinc/31/68/41/1131316841.db2.gz BKSKIWJCKPLJBR-UHFFFAOYSA-N 1 2 293.411 3.641 20 30 CHEDLO CCCCNc1[nH+]c2ccccc2n1C[C@@H](C#N)CCC#N ZINC000875933597 1124912739 /nfs/dbraw/zinc/91/27/39/1124912739.db2.gz PXMUVUXQLMZTNN-CQSZACIVSA-N 1 2 295.390 3.692 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cccc(OC(C)(C)C)c1 ZINC000876564870 1124961081 /nfs/dbraw/zinc/96/10/81/1124961081.db2.gz WNZYHQSAXTXMGW-UHFFFAOYSA-N 1 2 260.381 3.599 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cccc(OC(C)(C)C)c1 ZINC000876564870 1124961085 /nfs/dbraw/zinc/96/10/85/1124961085.db2.gz WNZYHQSAXTXMGW-UHFFFAOYSA-N 1 2 260.381 3.599 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccccc3OC)n2)CC1 ZINC000878087730 1125118057 /nfs/dbraw/zinc/11/80/57/1125118057.db2.gz WJDXSNOGXZUWSZ-UHFFFAOYSA-N 1 2 284.359 3.502 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000532090290 1125232951 /nfs/dbraw/zinc/23/29/51/1125232951.db2.gz WXAWDNPCFRAGRH-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000532090290 1125232956 /nfs/dbraw/zinc/23/29/56/1125232956.db2.gz WXAWDNPCFRAGRH-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NC1(c2ccccn2)CC1 ZINC001168151020 1125270216 /nfs/dbraw/zinc/27/02/16/1125270216.db2.gz SLKUKOLZECBIKC-UHFFFAOYSA-N 1 2 265.360 3.615 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000880389099 1125271187 /nfs/dbraw/zinc/27/11/87/1125271187.db2.gz RJPOOPVJQBRJAM-OAHLLOKOSA-N 1 2 271.364 3.565 20 30 CHEDLO CCCCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000127504939 1125303036 /nfs/dbraw/zinc/30/30/36/1125303036.db2.gz PFZIHURRXDPBNW-QWHCGFSZSA-N 1 2 298.390 3.696 20 30 CHEDLO CCCCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000127505486 1125303566 /nfs/dbraw/zinc/30/35/66/1125303566.db2.gz PFZIHURRXDPBNW-CHWSQXEVSA-N 1 2 298.390 3.696 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2Cl)c(F)c1 ZINC000237751291 1125358420 /nfs/dbraw/zinc/35/84/20/1125358420.db2.gz YKYHQRGBPBSXTG-UHFFFAOYSA-N 1 2 292.716 3.780 20 30 CHEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c[nH+]c1C ZINC000883341963 1125398277 /nfs/dbraw/zinc/39/82/77/1125398277.db2.gz FWPAFGJSPHNNHG-ZDUSSCGKSA-N 1 2 251.333 3.743 20 30 CHEDLO CCSCc1ccc[nH+]c1NCc1cccc(C#N)c1 ZINC000883378353 1125404751 /nfs/dbraw/zinc/40/47/51/1125404751.db2.gz ITRMQOBXWCFESB-UHFFFAOYSA-N 1 2 283.400 3.818 20 30 CHEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)sc1Br ZINC000123714289 1125432227 /nfs/dbraw/zinc/43/22/27/1125432227.db2.gz MMBDGFUIGAZJCS-UHFFFAOYSA-N 1 2 299.237 3.555 20 30 CHEDLO C=CCC1([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCCC1 ZINC000639322919 1129302516 /nfs/dbraw/zinc/30/25/16/1129302516.db2.gz ZPHMLAMILOWHCE-HNNXBMFYSA-N 1 2 288.439 3.905 20 30 CHEDLO C=CCCC[N@@H+](C)Cc1c(F)c(F)c(F)c(F)c1F ZINC000736623755 1129377707 /nfs/dbraw/zinc/37/77/07/1129377707.db2.gz QYSPHGQNNVARHY-UHFFFAOYSA-N 1 2 279.252 3.780 20 30 CHEDLO C=CCCC[N@H+](C)Cc1c(F)c(F)c(F)c(F)c1F ZINC000736623755 1129377710 /nfs/dbraw/zinc/37/77/10/1129377710.db2.gz QYSPHGQNNVARHY-UHFFFAOYSA-N 1 2 279.252 3.780 20 30 CHEDLO Cc1ccc(C)c(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000740764586 1129418813 /nfs/dbraw/zinc/41/88/13/1129418813.db2.gz YUXICZLWHIOCHZ-HJWRWDBZSA-N 1 2 276.339 3.847 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2cccc(C)c2)c1O ZINC000741165941 1129430989 /nfs/dbraw/zinc/43/09/89/1129430989.db2.gz UBKKVYPXEUGLPN-ONDHQXCVSA-N 1 2 283.371 3.932 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@H](C)c2cccc(C)c2)c1O ZINC000741165943 1129431047 /nfs/dbraw/zinc/43/10/47/1129431047.db2.gz UBKKVYPXEUGLPN-YQNUULROSA-N 1 2 283.371 3.932 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H](C)Cc2cccs2)c1O ZINC000741465654 1129437099 /nfs/dbraw/zinc/43/70/99/1129437099.db2.gz XDNTZUKRSAFFJW-OOIIIRTPSA-N 1 2 289.400 3.760 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)o1 ZINC000737444529 1129449291 /nfs/dbraw/zinc/44/92/91/1129449291.db2.gz SNTDOKDFKZHHEY-PLNGDYQASA-N 1 2 286.718 3.785 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000743876391 1129543665 /nfs/dbraw/zinc/54/36/65/1129543665.db2.gz ZKFDTJGZDZTRLK-PWSUYJOCSA-N 1 2 284.197 3.961 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000743876391 1129543668 /nfs/dbraw/zinc/54/36/68/1129543668.db2.gz ZKFDTJGZDZTRLK-PWSUYJOCSA-N 1 2 284.197 3.961 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000822526531 1131384464 /nfs/dbraw/zinc/38/44/64/1131384464.db2.gz WHXBTFUJKXVIOR-LBPRGKRZSA-N 1 2 281.359 3.617 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000822526531 1131384467 /nfs/dbraw/zinc/38/44/67/1131384467.db2.gz WHXBTFUJKXVIOR-LBPRGKRZSA-N 1 2 281.359 3.617 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC001169863954 1129762364 /nfs/dbraw/zinc/76/23/64/1129762364.db2.gz LZPYRXVHOPCBTQ-ZDUSSCGKSA-N 1 2 285.309 3.968 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC001169863954 1129762368 /nfs/dbraw/zinc/76/23/68/1129762368.db2.gz LZPYRXVHOPCBTQ-ZDUSSCGKSA-N 1 2 285.309 3.968 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)o1 ZINC000769388917 1129905411 /nfs/dbraw/zinc/90/54/11/1129905411.db2.gz JIJOIVMALJJGFL-LBTNJELSSA-N 1 2 296.370 3.502 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000769388917 1129905415 /nfs/dbraw/zinc/90/54/15/1129905415.db2.gz JIJOIVMALJJGFL-LBTNJELSSA-N 1 2 296.370 3.502 20 30 CHEDLO CSc1ccc2c(c1)CC/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901465977 1129927159 /nfs/dbraw/zinc/92/71/59/1129927159.db2.gz GLXJRQQMSOCEOR-UKTHLTGXSA-N 1 2 298.411 3.961 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)C2 ZINC000901473308 1129928199 /nfs/dbraw/zinc/92/81/99/1129928199.db2.gz BECWHUZYVSYEKR-ZSOIEALJSA-N 1 2 266.344 3.595 20 30 CHEDLO Fc1cccc(Cl)c1N=NCc1cccc2[nH+]ccn21 ZINC000769831187 1129928300 /nfs/dbraw/zinc/92/83/00/1129928300.db2.gz WLPVDJYJLCJODD-UHFFFAOYSA-N 1 2 288.713 3.573 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2ccc(F)cc2C1=O ZINC000901490627 1129930336 /nfs/dbraw/zinc/93/03/36/1129930336.db2.gz PNPKYCPQHIRLGO-NTUHNPAUSA-N 1 2 284.334 3.816 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000769962110 1129931501 /nfs/dbraw/zinc/93/15/01/1129931501.db2.gz RNGOEDSSLJXUCO-JTQLQIEISA-N 1 2 292.354 3.542 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000769962110 1129931504 /nfs/dbraw/zinc/93/15/04/1129931504.db2.gz RNGOEDSSLJXUCO-JTQLQIEISA-N 1 2 292.354 3.542 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)oc1C ZINC000901504776 1129931626 /nfs/dbraw/zinc/93/16/26/1129931626.db2.gz OGVWDFOHKGSJSS-AATRIKPKSA-N 1 2 258.321 3.570 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000769962385 1129932202 /nfs/dbraw/zinc/93/22/02/1129932202.db2.gz YGTKODSLPCIZJF-LLVKDONJSA-N 1 2 290.819 3.917 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000769962385 1129932204 /nfs/dbraw/zinc/93/22/04/1129932204.db2.gz YGTKODSLPCIZJF-LLVKDONJSA-N 1 2 290.819 3.917 20 30 CHEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(C2CCC2)cc1 ZINC000901543263 1129935214 /nfs/dbraw/zinc/93/52/14/1129935214.db2.gz DVJOBDZXRPXGSJ-KTKRTIGZSA-N 1 2 266.344 3.584 20 30 CHEDLO SCCCNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001171002421 1131411663 /nfs/dbraw/zinc/41/16/63/1131411663.db2.gz MBDKVGPUIYFFLX-UHFFFAOYSA-N 1 2 283.400 3.757 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc(F)ccc3F)n2c1 ZINC000771851762 1129993708 /nfs/dbraw/zinc/99/37/08/1129993708.db2.gz VBXDSRNQDXALKE-GQCTYLIASA-N 1 2 298.292 3.817 20 30 CHEDLO CCC(CC)[C@H](CC/[NH+]=C\c1cccc(OC)c1O)OC ZINC000746521504 1130001613 /nfs/dbraw/zinc/00/16/13/1130001613.db2.gz IRGIRVTXIILKNW-BRYHAGSVSA-N 1 2 293.407 3.661 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1cc(C#N)ccn1 ZINC000902756445 1130053315 /nfs/dbraw/zinc/05/33/15/1130053315.db2.gz ZRZGKFMRNHRCBJ-XUJVJEKNSA-N 1 2 281.359 3.520 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000785757916 1130053639 /nfs/dbraw/zinc/05/36/39/1130053639.db2.gz OWCQGBQKUYVVTJ-KRWDZBQOSA-N 1 2 284.359 3.518 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902871409 1130076444 /nfs/dbraw/zinc/07/64/44/1130076444.db2.gz NTTAEVDUJJCSRB-MRVPVSSYSA-N 1 2 264.678 3.504 20 30 CHEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cc(C#N)ccn1 ZINC000902934877 1130086223 /nfs/dbraw/zinc/08/62/23/1130086223.db2.gz QZVZQMSQOAGFRV-CYBMUJFWSA-N 1 2 292.386 3.509 20 30 CHEDLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cc(C#N)ccn1 ZINC000902934877 1130086233 /nfs/dbraw/zinc/08/62/33/1130086233.db2.gz QZVZQMSQOAGFRV-CYBMUJFWSA-N 1 2 292.386 3.509 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1n[nH]c2ccccc21 ZINC000678125243 1130355447 /nfs/dbraw/zinc/35/54/47/1130355447.db2.gz YKZYQJQKYNKSAN-UHFFFAOYSA-N 1 2 283.400 3.813 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1n[nH]c2ccccc21 ZINC000678125243 1130355454 /nfs/dbraw/zinc/35/54/54/1130355454.db2.gz YKZYQJQKYNKSAN-UHFFFAOYSA-N 1 2 283.400 3.813 20 30 CHEDLO N#CC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC001170362015 1130485356 /nfs/dbraw/zinc/48/53/56/1130485356.db2.gz MLWRANPPUNHWOL-UHFFFAOYSA-N 1 2 293.414 3.817 20 30 CHEDLO C#C[C@H](Nc1nc(C)[nH+]c(C)c1C)c1ccc(Cl)cc1 ZINC000811862222 1130651598 /nfs/dbraw/zinc/65/15/98/1130651598.db2.gz UJORDMCQEFMBMF-HNNXBMFYSA-N 1 2 285.778 3.842 20 30 CHEDLO N#CCOc1ccc(Nc2cccc(C3CC3)[nH+]2)cc1 ZINC001212606913 1130682583 /nfs/dbraw/zinc/68/25/83/1130682583.db2.gz CJZGDFPWDLFFBF-UHFFFAOYSA-N 1 2 265.316 3.605 20 30 CHEDLO CC(C)c1cc(NCc2ccc(C#N)cn2)nc(C(C)C)[nH+]1 ZINC000780612018 1130687086 /nfs/dbraw/zinc/68/70/86/1130687086.db2.gz HGNTVQXWQKCTIC-UHFFFAOYSA-N 1 2 295.390 3.602 20 30 CHEDLO CCc1cc(-c2ccc3[nH+]ccn3c2C)ccc1C#N ZINC001244954929 1130728591 /nfs/dbraw/zinc/72/85/91/1130728591.db2.gz XDBASGLPNRTROP-UHFFFAOYSA-N 1 2 261.328 3.744 20 30 CHEDLO CC(=[NH+]Nc1ccccc1Cl)c1cc(N)ccc1F ZINC000814691011 1130900765 /nfs/dbraw/zinc/90/07/65/1130900765.db2.gz JGIJQLIBMKFDNS-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO CC(=[NH+]NCc1ccccc1Cl)c1cc(N)ccc1F ZINC000814812524 1130915707 /nfs/dbraw/zinc/91/57/07/1130915707.db2.gz ALMBLCJIZGODOJ-UHFFFAOYSA-N 1 2 291.757 3.575 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)cc1C)c1cc(N)ccc1F ZINC000814885129 1130930097 /nfs/dbraw/zinc/93/00/97/1130930097.db2.gz NZVAXDFJZIFHQV-UHFFFAOYSA-N 1 2 275.302 3.692 20 30 CHEDLO CCOC(=[NH2+])c1ccc(-c2cc(C#N)ccc2OC)cc1 ZINC001236547068 1130971798 /nfs/dbraw/zinc/97/17/98/1130971798.db2.gz TXQXAEZRYHQPBS-UHFFFAOYSA-N 1 2 280.327 3.596 20 30 CHEDLO Cc1cc(Cl)cc(C[N@H+](CCC#N)C2CCCC2)n1 ZINC001236638113 1130987630 /nfs/dbraw/zinc/98/76/30/1130987630.db2.gz GSOIDKBATMSVNB-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO Cc1cc(Cl)cc(C[N@@H+](CCC#N)C2CCCC2)n1 ZINC001236638113 1130987633 /nfs/dbraw/zinc/98/76/33/1130987633.db2.gz GSOIDKBATMSVNB-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO CCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815600932 1131007239 /nfs/dbraw/zinc/00/72/39/1131007239.db2.gz JBYSULXBEOCQCP-OAHLLOKOSA-N 1 2 290.386 3.593 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)oc1C ZINC000799895383 1131113726 /nfs/dbraw/zinc/11/37/26/1131113726.db2.gz ATXPRFFLRUTHGM-AATRIKPKSA-N 1 2 280.327 3.749 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001237745070 1131137529 /nfs/dbraw/zinc/13/75/29/1131137529.db2.gz BSBVBSMGSWRPBI-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001237745070 1131137527 /nfs/dbraw/zinc/13/75/27/1131137527.db2.gz BSBVBSMGSWRPBI-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@]1(F)CCCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188349 1131177262 /nfs/dbraw/zinc/17/72/62/1131177262.db2.gz ASYZPUOIXIJDOF-HNNXBMFYSA-N 1 2 280.774 3.926 20 30 CHEDLO C[C@]1(F)CCCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188349 1131177263 /nfs/dbraw/zinc/17/72/63/1131177263.db2.gz ASYZPUOIXIJDOF-HNNXBMFYSA-N 1 2 280.774 3.926 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)cc1Cl ZINC001238302702 1131189386 /nfs/dbraw/zinc/18/93/86/1131189386.db2.gz HLHBIXOIPFTBLK-GFCCVEGCSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)cc1Cl ZINC001238302702 1131189391 /nfs/dbraw/zinc/18/93/91/1131189391.db2.gz HLHBIXOIPFTBLK-GFCCVEGCSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(F)cc1Cl ZINC001238303429 1131190271 /nfs/dbraw/zinc/19/02/71/1131190271.db2.gz NOLWPHUFTRHWIP-UHFFFAOYSA-N 1 2 280.774 3.913 20 30 CHEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001118196017 1131215517 /nfs/dbraw/zinc/21/55/17/1131215517.db2.gz WLCALFRCBGQMEN-QGZVFWFLSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001118196017 1131215520 /nfs/dbraw/zinc/21/55/20/1131215520.db2.gz WLCALFRCBGQMEN-QGZVFWFLSA-N 1 2 297.789 3.944 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558695 1131216521 /nfs/dbraw/zinc/21/65/21/1131216521.db2.gz IUICWLQDUUTVSI-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558695 1131216528 /nfs/dbraw/zinc/21/65/28/1131216528.db2.gz IUICWLQDUUTVSI-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO COc1ccc([NH2+]C2CCC(C)(C#N)CC2)c(OC)c1 ZINC000823490079 1131429121 /nfs/dbraw/zinc/42/91/21/1131429121.db2.gz TXKHRRLWLCIXJV-UHFFFAOYSA-N 1 2 274.364 3.588 20 30 CHEDLO Cc1cc([NH2+]C2CCC(C)(C#N)CC2)ccc1N(C)C ZINC000823534851 1131431079 /nfs/dbraw/zinc/43/10/79/1131431079.db2.gz WMQJJPKNFYZDMU-UHFFFAOYSA-N 1 2 271.408 3.945 20 30 CHEDLO Cc1cc(NC2CCC(C)(C#N)CC2)ccc1[NH+](C)C ZINC000823534851 1131431081 /nfs/dbraw/zinc/43/10/81/1131431081.db2.gz WMQJJPKNFYZDMU-UHFFFAOYSA-N 1 2 271.408 3.945 20 30 CHEDLO Fc1ccc(F)c(C[NH+]2CCC(S)CC2)c1Cl ZINC001138004970 1131450148 /nfs/dbraw/zinc/45/01/48/1131450148.db2.gz LBGAOSNNRUCUNN-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO Cc1ccc(Cl)c(C[NH+]2CCC(C#N)CC2)c1F ZINC001138030665 1131455189 /nfs/dbraw/zinc/45/51/89/1131455189.db2.gz NTNZSEZBQOAGLJ-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(F)ccc1C(F)(F)F ZINC001138092554 1131463186 /nfs/dbraw/zinc/46/31/86/1131463186.db2.gz NLTFWWYMSXREQV-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(F)ccc1C(F)(F)F ZINC001138092554 1131463188 /nfs/dbraw/zinc/46/31/88/1131463188.db2.gz NLTFWWYMSXREQV-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)o1 ZINC001138175871 1131475656 /nfs/dbraw/zinc/47/56/56/1131475656.db2.gz JLIKJFGJLMQWOS-UHFFFAOYSA-N 1 2 289.423 3.786 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)o1 ZINC001138175871 1131475659 /nfs/dbraw/zinc/47/56/59/1131475659.db2.gz JLIKJFGJLMQWOS-UHFFFAOYSA-N 1 2 289.423 3.786 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc2cc(C)ccc2[nH]1 ZINC001138415289 1131501024 /nfs/dbraw/zinc/50/10/24/1131501024.db2.gz ASARWQFCFQLYTQ-UHFFFAOYSA-N 1 2 255.365 3.602 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc2cc(C)ccc2[nH]1 ZINC001138415289 1131501027 /nfs/dbraw/zinc/50/10/27/1131501027.db2.gz ASARWQFCFQLYTQ-UHFFFAOYSA-N 1 2 255.365 3.602 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(C)ccc1OC ZINC001138485920 1131511509 /nfs/dbraw/zinc/51/15/09/1131511509.db2.gz CSWVBZSAYAYUJA-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(C)ccc1OC ZINC001138485920 1131511510 /nfs/dbraw/zinc/51/15/10/1131511510.db2.gz CSWVBZSAYAYUJA-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441404 1131564885 /nfs/dbraw/zinc/56/48/85/1131564885.db2.gz MRZCPIJQWUPDAA-AWEZNQCLSA-N 1 2 296.748 3.833 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441404 1131564888 /nfs/dbraw/zinc/56/48/88/1131564888.db2.gz MRZCPIJQWUPDAA-AWEZNQCLSA-N 1 2 296.748 3.833 20 30 CHEDLO Cc1c[nH+]c(C)c(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000844704411 1131595113 /nfs/dbraw/zinc/59/51/13/1131595113.db2.gz IURUECXQLLLLMF-UHFFFAOYSA-N 1 2 294.402 3.660 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1C#N ZINC001139691396 1131629343 /nfs/dbraw/zinc/62/93/43/1131629343.db2.gz WVNFEFPBSVHBMU-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1C#N ZINC001139691396 1131629345 /nfs/dbraw/zinc/62/93/45/1131629345.db2.gz WVNFEFPBSVHBMU-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001139823467 1131639243 /nfs/dbraw/zinc/63/92/43/1131639243.db2.gz NWAOSKBEZXRCOT-CQSZACIVSA-N 1 2 297.427 3.854 20 30 CHEDLO Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001139823467 1131639245 /nfs/dbraw/zinc/63/92/45/1131639245.db2.gz NWAOSKBEZXRCOT-CQSZACIVSA-N 1 2 297.427 3.854 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccnc(Cl)c2Cl)CCCC1 ZINC000846011330 1131678538 /nfs/dbraw/zinc/67/85/38/1131678538.db2.gz SDLQABPQDSOILL-UHFFFAOYSA-N 1 2 284.190 3.562 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144727119 1131692396 /nfs/dbraw/zinc/69/23/96/1131692396.db2.gz QZJNJIXTTVZDSL-JTQLQIEISA-N 1 2 284.737 3.744 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144727119 1131692398 /nfs/dbraw/zinc/69/23/98/1131692398.db2.gz QZJNJIXTTVZDSL-JTQLQIEISA-N 1 2 284.737 3.744 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)cc1Cl ZINC001144729559 1131692933 /nfs/dbraw/zinc/69/29/33/1131692933.db2.gz QPGDDLKOVLHRAS-WLLOZRIZSA-N 1 2 296.748 3.885 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1Cl ZINC001144729559 1131692934 /nfs/dbraw/zinc/69/29/34/1131692934.db2.gz QPGDDLKOVLHRAS-WLLOZRIZSA-N 1 2 296.748 3.885 20 30 CHEDLO C#C[C@@H](CCCCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228089781 1131806091 /nfs/dbraw/zinc/80/60/91/1131806091.db2.gz KXISYYVUFKEVMO-INIZCTEOSA-N 1 2 285.387 3.631 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001171373440 1131924971 /nfs/dbraw/zinc/92/49/71/1131924971.db2.gz HVLZPZBTKXAAPS-LBPRGKRZSA-N 1 2 269.348 3.523 20 30 CHEDLO CC[N@H+](Cc1ccncc1)Cc1cccc(C#N)c1Cl ZINC001140806494 1131928143 /nfs/dbraw/zinc/92/81/43/1131928143.db2.gz KRCKPDNHYASTIN-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccncc1)Cc1cccc(C#N)c1Cl ZINC001140806494 1131928147 /nfs/dbraw/zinc/92/81/47/1131928147.db2.gz KRCKPDNHYASTIN-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141210510 1132043404 /nfs/dbraw/zinc/04/34/04/1132043404.db2.gz SEDIWPAJQMZELE-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141210510 1132043407 /nfs/dbraw/zinc/04/34/07/1132043407.db2.gz SEDIWPAJQMZELE-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317367 1132081744 /nfs/dbraw/zinc/08/17/44/1132081744.db2.gz WVBROAGTQZKZBE-OAHLLOKOSA-N 1 2 296.345 3.963 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317367 1132081751 /nfs/dbraw/zinc/08/17/51/1132081751.db2.gz WVBROAGTQZKZBE-OAHLLOKOSA-N 1 2 296.345 3.963 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001172316386 1132157332 /nfs/dbraw/zinc/15/73/32/1132157332.db2.gz NPHOGOHKCAQSTQ-LBPRGKRZSA-N 1 2 297.789 3.553 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001172316386 1132157334 /nfs/dbraw/zinc/15/73/34/1132157334.db2.gz NPHOGOHKCAQSTQ-LBPRGKRZSA-N 1 2 297.789 3.553 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172336732 1132175337 /nfs/dbraw/zinc/17/53/37/1132175337.db2.gz NWPISBCTQAXCFH-QWHCGFSZSA-N 1 2 253.361 3.867 20 30 CHEDLO C=CC[C@H](CCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922107 1132229338 /nfs/dbraw/zinc/22/93/38/1132229338.db2.gz YXQNPHUSNILTHK-OAHLLOKOSA-N 1 2 273.376 3.881 20 30 CHEDLO C=C(C)C[N@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000840040556 1132245140 /nfs/dbraw/zinc/24/51/40/1132245140.db2.gz GBCYCVMAGIITPO-KRWDZBQOSA-N 1 2 298.430 3.596 20 30 CHEDLO C=C(C)C[N@@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000840040556 1132245144 /nfs/dbraw/zinc/24/51/44/1132245144.db2.gz GBCYCVMAGIITPO-KRWDZBQOSA-N 1 2 298.430 3.596 20 30 CHEDLO C#C[C@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccccc1 ZINC001231078735 1132253805 /nfs/dbraw/zinc/25/38/05/1132253805.db2.gz DFELEXZMWWHRKH-IBGZPJMESA-N 1 2 288.350 3.840 20 30 CHEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001172724193 1132297187 /nfs/dbraw/zinc/29/71/87/1132297187.db2.gz OGPHXMNQBCWVAU-KDOFPFPSSA-N 1 2 291.435 3.587 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231523441 1132313674 /nfs/dbraw/zinc/31/36/74/1132313674.db2.gz WIJZMKSCKVFZSO-UHFFFAOYSA-N 1 2 286.297 3.537 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231523441 1132313682 /nfs/dbraw/zinc/31/36/82/1132313682.db2.gz WIJZMKSCKVFZSO-UHFFFAOYSA-N 1 2 286.297 3.537 20 30 CHEDLO N#Cc1ccc(F)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697665 1132377781 /nfs/dbraw/zinc/37/77/81/1132377781.db2.gz MNIVEPKCYLLRSG-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO N#CCc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697555 1132377814 /nfs/dbraw/zinc/37/78/14/1132377814.db2.gz FRSQTPNLFDSUTL-UHFFFAOYSA-N 1 2 288.354 3.741 20 30 CHEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173200110 1132409447 /nfs/dbraw/zinc/40/94/47/1132409447.db2.gz LJQIETBLAJAQSF-PREGVCBESA-N 1 2 272.392 3.658 20 30 CHEDLO N#CCC[N@@H+](Cc1cncc(O)c1)C1CCCCCCC1 ZINC001232042858 1132415149 /nfs/dbraw/zinc/41/51/49/1132415149.db2.gz LGRJMZSFSQBZCT-UHFFFAOYSA-N 1 2 287.407 3.616 20 30 CHEDLO N#CCC[N@H+](Cc1cncc(O)c1)C1CCCCCCC1 ZINC001232042858 1132415154 /nfs/dbraw/zinc/41/51/54/1132415154.db2.gz LGRJMZSFSQBZCT-UHFFFAOYSA-N 1 2 287.407 3.616 20 30 CHEDLO CCCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001173308856 1132449846 /nfs/dbraw/zinc/44/98/46/1132449846.db2.gz CYKPQBCYAPSJDJ-IAGOWNOFSA-N 1 2 279.472 3.703 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001232612827 1132493063 /nfs/dbraw/zinc/49/30/63/1132493063.db2.gz PDXPJQHPJQXUGI-CYBMUJFWSA-N 1 2 256.374 3.637 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001232612827 1132493068 /nfs/dbraw/zinc/49/30/68/1132493068.db2.gz PDXPJQHPJQXUGI-CYBMUJFWSA-N 1 2 256.374 3.637 20 30 CHEDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678740 1132504878 /nfs/dbraw/zinc/50/48/78/1132504878.db2.gz OABIVTDWHSOXMP-SFHVURJKSA-N 1 2 292.382 3.773 20 30 CHEDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678740 1132504889 /nfs/dbraw/zinc/50/48/89/1132504889.db2.gz OABIVTDWHSOXMP-SFHVURJKSA-N 1 2 292.382 3.773 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001232680146 1132505375 /nfs/dbraw/zinc/50/53/75/1132505375.db2.gz YJIIQGCVQQBKSU-KRWDZBQOSA-N 1 2 278.355 3.601 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001232680146 1132505378 /nfs/dbraw/zinc/50/53/78/1132505378.db2.gz YJIIQGCVQQBKSU-KRWDZBQOSA-N 1 2 278.355 3.601 20 30 CHEDLO C[N@H+](Cc1ccccc1Cl)Cc1cc(C#N)ccc1O ZINC001232675672 1132506430 /nfs/dbraw/zinc/50/64/30/1132506430.db2.gz CNZWARFHFZGNEA-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1ccccc1Cl)Cc1cc(C#N)ccc1O ZINC001232675672 1132506431 /nfs/dbraw/zinc/50/64/31/1132506431.db2.gz CNZWARFHFZGNEA-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2ccsc2)c(C#N)c1 ZINC001232965986 1132550954 /nfs/dbraw/zinc/55/09/54/1132550954.db2.gz COHAAQMOSOQYJM-UHFFFAOYSA-N 1 2 256.374 3.560 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2ccsc2)c(C#N)c1 ZINC001232965986 1132550959 /nfs/dbraw/zinc/55/09/59/1132550959.db2.gz COHAAQMOSOQYJM-UHFFFAOYSA-N 1 2 256.374 3.560 20 30 CHEDLO CNc1ccc(CNc2[nH+]ccc3ccc(C#N)cc32)cc1 ZINC001156139464 1132683846 /nfs/dbraw/zinc/68/38/46/1132683846.db2.gz WGLSNGLDZWQMMS-UHFFFAOYSA-N 1 2 288.354 3.760 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NCCCc3ccncc3)c2c1 ZINC001156406900 1132692278 /nfs/dbraw/zinc/69/22/78/1132692278.db2.gz IBGMXUIEBUJNAP-UHFFFAOYSA-N 1 2 288.354 3.546 20 30 CHEDLO CSc1c[nH+]c(NCCc2ccc(C#N)cc2)c(C)c1 ZINC001156837746 1132711258 /nfs/dbraw/zinc/71/12/58/1132711258.db2.gz OGVIBRGHNQTBIV-UHFFFAOYSA-N 1 2 283.400 3.638 20 30 CHEDLO CSc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001156876318 1132712916 /nfs/dbraw/zinc/71/29/16/1132712916.db2.gz SMMAFQKLTMSNJX-NSHDSACASA-N 1 2 269.373 3.848 20 30 CHEDLO N#CCCCCNc1[nH+]ccc2cc(Cl)ccc21 ZINC001157637680 1132736298 /nfs/dbraw/zinc/73/62/98/1132736298.db2.gz ASMVVMARLXMTPR-UHFFFAOYSA-N 1 2 259.740 3.994 20 30 CHEDLO CN(c1[nH+]ccc2[nH]cc(C#N)c21)[C@@H]1CCc2ccccc21 ZINC001158920484 1132798558 /nfs/dbraw/zinc/79/85/58/1132798558.db2.gz PFMCBHSBOWTFOF-MRXNPFEDSA-N 1 2 288.354 3.558 20 30 CHEDLO CSCc1ccc(NCc2ccc(C#N)c(F)c2)[nH+]c1 ZINC001159087163 1132806090 /nfs/dbraw/zinc/80/60/90/1132806090.db2.gz UPWYKKIZLTYQHU-UHFFFAOYSA-N 1 2 287.363 3.567 20 30 CHEDLO Cn1c[nH+]c2cc(Nc3ccc(Cl)c(C#N)c3)ccc21 ZINC001174402942 1132817148 /nfs/dbraw/zinc/81/71/48/1132817148.db2.gz BRYAWVKDRNFROD-UHFFFAOYSA-N 1 2 282.734 3.842 20 30 CHEDLO N#CC1=C(Nc2ccc(C3CC[NH2+]CC3)cc2)SCC1=O ZINC001159249547 1132818047 /nfs/dbraw/zinc/81/80/47/1132818047.db2.gz PXBPMEUMURPFLL-UHFFFAOYSA-N 1 2 299.399 3.536 20 30 CHEDLO Cc1ncc(C#N)cc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381843 1132829359 /nfs/dbraw/zinc/82/93/59/1132829359.db2.gz QMGDRPQASSCEAT-UHFFFAOYSA-N 1 2 291.358 3.936 20 30 CHEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001174524036 1132913601 /nfs/dbraw/zinc/91/36/01/1132913601.db2.gz ARZHPCYEDIXECD-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#C[C@H](Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC001161718923 1133019032 /nfs/dbraw/zinc/01/90/32/1133019032.db2.gz WAVQIVLRVISAQO-SFHVURJKSA-N 1 2 288.354 3.608 20 30 CHEDLO CC(C)(CNc1cc(CC#N)cc[nH+]1)CC(F)(F)F ZINC001162249117 1133064274 /nfs/dbraw/zinc/06/42/74/1133064274.db2.gz HCRAZKIYKBYODT-UHFFFAOYSA-N 1 2 271.286 3.538 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1c2cc(C)ccc2NC1=O ZINC001162566580 1133092296 /nfs/dbraw/zinc/09/22/96/1133092296.db2.gz MIRJBSLHFAJWSB-MRXNPFEDSA-N 1 2 293.370 3.532 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cnc2cc(C)ccn12 ZINC001162817612 1133113547 /nfs/dbraw/zinc/11/35/47/1133113547.db2.gz ACOYGAMYCOMCDZ-UHFFFAOYSA-N 1 2 292.386 3.687 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(F)c(C#N)c2F)c(C)[nH+]1 ZINC001203381241 1133156102 /nfs/dbraw/zinc/15/61/02/1133156102.db2.gz RRXBBEVZVNQBQW-UHFFFAOYSA-N 1 2 277.249 3.731 20 30 CHEDLO Cc1cc(C)cc(CNc2cc(C3(C#N)CC3)cc[nH+]2)c1 ZINC001163751083 1133171185 /nfs/dbraw/zinc/17/11/85/1133171185.db2.gz HHNGHFKQWSUIJG-UHFFFAOYSA-N 1 2 277.371 3.866 20 30 CHEDLO Cc1ccc(Nc2cc(F)cc(F)c2C#N)c(C)[nH+]1 ZINC001203381404 1133225938 /nfs/dbraw/zinc/22/59/38/1133225938.db2.gz WUZMOZYJXSUGMR-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C[C@H]1CN(c2[nH+]ccc3[nH]cc(C#N)c32)Cc2ccccc21 ZINC001165217552 1133230916 /nfs/dbraw/zinc/23/09/16/1133230916.db2.gz PJTOOFGRWOVFEY-LBPRGKRZSA-N 1 2 288.354 3.558 20 30 CHEDLO CN(Cc1ccc(Cl)cc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166676342 1133280461 /nfs/dbraw/zinc/28/04/61/1133280461.db2.gz BGIMBMGNMSNJPY-UHFFFAOYSA-N 1 2 296.761 3.724 20 30 CHEDLO C#C[C@@H]1CCCN(c2cc(C3CCCCC3)[nH+]c(C)n2)C1 ZINC001167008515 1133298850 /nfs/dbraw/zinc/29/88/50/1133298850.db2.gz ZOXMVTOHYYXJKL-OAHLLOKOSA-N 1 2 283.419 3.682 20 30 CHEDLO N#Cc1c(F)cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001203674442 1133352715 /nfs/dbraw/zinc/35/27/15/1133352715.db2.gz BBBDUFWKRONJSA-UHFFFAOYSA-N 1 2 296.280 3.766 20 30 CHEDLO COc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1C ZINC001203893467 1133382136 /nfs/dbraw/zinc/38/21/36/1133382136.db2.gz HHIXQEQLLFJOPS-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO COc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1C ZINC001203893467 1133382139 /nfs/dbraw/zinc/38/21/39/1133382139.db2.gz HHIXQEQLLFJOPS-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@@H+](C)C[C@H](C)C#N)cc1C ZINC001204826544 1133490447 /nfs/dbraw/zinc/49/04/47/1133490447.db2.gz LXAVBKPQRKLAIL-FMFIFOJESA-N 1 2 256.393 3.717 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@H+](C)C[C@H](C)C#N)cc1C ZINC001204826544 1133490448 /nfs/dbraw/zinc/49/04/48/1133490448.db2.gz LXAVBKPQRKLAIL-FMFIFOJESA-N 1 2 256.393 3.717 20 30 CHEDLO C[C@H](C#N)c1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001204982668 1133511985 /nfs/dbraw/zinc/51/19/85/1133511985.db2.gz DBHNRSLHPNBOKW-GFCCVEGCSA-N 1 2 262.316 3.705 20 30 CHEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)c1Cl ZINC001204998129 1133515177 /nfs/dbraw/zinc/51/51/77/1133515177.db2.gz UYLDAVJYGUJZSK-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO C=CCC[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OCC ZINC001205849331 1133622641 /nfs/dbraw/zinc/62/26/41/1133622641.db2.gz OTCGMECAKRBSEO-WBVHZDCISA-N 1 2 289.419 3.668 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CCCc1ccc(F)c(F)c1)C2 ZINC001206505045 1133712283 /nfs/dbraw/zinc/71/22/83/1133712283.db2.gz MRGIWOQSGUIYBY-UHFFFAOYSA-N 1 2 298.336 3.785 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CCCc1ccc(F)c(F)c1)C2 ZINC001206505045 1133712287 /nfs/dbraw/zinc/71/22/87/1133712287.db2.gz MRGIWOQSGUIYBY-UHFFFAOYSA-N 1 2 298.336 3.785 20 30 CHEDLO N#CCC[N@@H+](CCCc1ccccc1F)Cc1cccnc1 ZINC001207490602 1133808928 /nfs/dbraw/zinc/80/89/28/1133808928.db2.gz ULUMILZZUNATIG-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO N#CCC[N@H+](CCCc1ccccc1F)Cc1cccnc1 ZINC001207490602 1133808934 /nfs/dbraw/zinc/80/89/34/1133808934.db2.gz ULUMILZZUNATIG-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO CCCCCCC/C=C/C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001208119705 1133880356 /nfs/dbraw/zinc/88/03/56/1133880356.db2.gz GBUVDMBOGDQGFN-FHQWLQQXSA-N 1 2 289.410 3.648 20 30 CHEDLO CCCCCCC/C=C/C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001208119705 1133880359 /nfs/dbraw/zinc/88/03/59/1133880359.db2.gz GBUVDMBOGDQGFN-FHQWLQQXSA-N 1 2 289.410 3.648 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCOC[C@@H]2c2cccnc2)CC1 ZINC001208178560 1133898479 /nfs/dbraw/zinc/89/84/79/1133898479.db2.gz RFYORJHLEAEHCZ-IEBWSBKVSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCOC[C@@H]2c2cccnc2)CC1 ZINC001208178560 1133898481 /nfs/dbraw/zinc/89/84/81/1133898481.db2.gz RFYORJHLEAEHCZ-IEBWSBKVSA-N 1 2 298.430 3.758 20 30 CHEDLO C[C@H](CC[N@@H+]1CC[C@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653845 1133922718 /nfs/dbraw/zinc/92/27/18/1133922718.db2.gz JALLKTIQHBPVKJ-TZMCWYRMSA-N 1 2 281.465 3.723 20 30 CHEDLO C[C@H](CC[N@H+]1CC[C@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653845 1133922723 /nfs/dbraw/zinc/92/27/23/1133922723.db2.gz JALLKTIQHBPVKJ-TZMCWYRMSA-N 1 2 281.465 3.723 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001209083025 1133973790 /nfs/dbraw/zinc/97/37/90/1133973790.db2.gz MSAIXNRUHCONBV-CQSZACIVSA-N 1 2 283.202 3.771 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](CCc2ccc(Cl)cc2Cl)C1 ZINC001209083025 1133973793 /nfs/dbraw/zinc/97/37/93/1133973793.db2.gz MSAIXNRUHCONBV-CQSZACIVSA-N 1 2 283.202 3.771 20 30 CHEDLO N#C[C@H]1CCCC[N@@H+]1CCCCCc1ccccc1 ZINC001209236308 1133994077 /nfs/dbraw/zinc/99/40/77/1133994077.db2.gz YJXFHNUZQZASOI-QGZVFWFLSA-N 1 2 256.393 3.777 20 30 CHEDLO N#C[C@H]1CCCC[N@H+]1CCCCCc1ccccc1 ZINC001209236308 1133994079 /nfs/dbraw/zinc/99/40/79/1133994079.db2.gz YJXFHNUZQZASOI-QGZVFWFLSA-N 1 2 256.393 3.777 20 30 CHEDLO Cc1ccc2c(Nc3ccc(C#N)nc3)cccc2[nH+]1 ZINC001209615885 1134042612 /nfs/dbraw/zinc/04/26/12/1134042612.db2.gz JZOYIVWYZBJYHD-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1cc(Nc2ccc(F)c(C#N)c2)ccc1[NH+](C)C ZINC001210040720 1134131209 /nfs/dbraw/zinc/13/12/09/1134131209.db2.gz AKKXLSMCVGISDV-UHFFFAOYSA-N 1 2 269.323 3.815 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCC3)c(C#N)c2)[nH+]c1 ZINC001211011805 1134349181 /nfs/dbraw/zinc/34/91/81/1134349181.db2.gz CBYWBLSZMPPIND-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1-n1ccc2c1cc(C#N)cc2N ZINC001213501098 1134455960 /nfs/dbraw/zinc/45/59/60/1134455960.db2.gz HVYQJUMOBAEVEH-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1c(O)cccc1C#N ZINC001213500957 1134456586 /nfs/dbraw/zinc/45/65/86/1134456586.db2.gz GBLDYPNLSZUUAI-UHFFFAOYSA-N 1 2 265.316 3.588 20 30 CHEDLO N#Cc1ccc(F)c(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001214598149 1134554989 /nfs/dbraw/zinc/55/49/89/1134554989.db2.gz BWAFDCBQBPORRR-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2cc(C#N)ccc2F)cc1 ZINC001214603905 1134556100 /nfs/dbraw/zinc/55/61/00/1134556100.db2.gz FDAMRUXUQBNQFS-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2cc(C#N)ccc2F)cc1 ZINC001214603905 1134556103 /nfs/dbraw/zinc/55/61/03/1134556103.db2.gz FDAMRUXUQBNQFS-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO COc1ccc(Nc2cccc(C(C)C)[nH+]2)cc1C#N ZINC001214995906 1134592196 /nfs/dbraw/zinc/59/21/96/1134592196.db2.gz UDVVDWRDWYXFAH-UHFFFAOYSA-N 1 2 267.332 3.829 20 30 CHEDLO Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC001216076077 1134767236 /nfs/dbraw/zinc/76/72/36/1134767236.db2.gz OYZLFRYZWXRNDA-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO N#Cc1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1F ZINC001216414229 1134887915 /nfs/dbraw/zinc/88/79/15/1134887915.db2.gz KSZHKDBSEKDSLP-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO CCCCCCCCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217855903 1135010150 /nfs/dbraw/zinc/01/01/50/1135010150.db2.gz NRYRNTYJXORYDS-CYBMUJFWSA-N 1 2 263.372 3.751 20 30 CHEDLO COC(=[NH2+])c1cccc(-c2c(C)cc(C#N)cc2C)c1 ZINC001222666899 1135262050 /nfs/dbraw/zinc/26/20/50/1135262050.db2.gz PRAIYARXKSQICF-UHFFFAOYSA-N 1 2 264.328 3.814 20 30 CHEDLO C=C[C@@H](CC(=O)OC(C)(C)C)OCc1cc(C)[nH+]c(C)c1 ZINC001223422194 1135343683 /nfs/dbraw/zinc/34/36/83/1135343683.db2.gz UQSBLQPGXJCWNI-HNNXBMFYSA-N 1 2 291.391 3.501 20 30 CHEDLO C=C[C@H](C#CC(C)(C)C)OCc1cc(C)[nH+]c(C)c1 ZINC001223423289 1135343770 /nfs/dbraw/zinc/34/37/70/1135343770.db2.gz AJJQTJJNXNBXOR-MRXNPFEDSA-N 1 2 257.377 3.819 20 30 CHEDLO Cc1cc(CO[C@@H](C#N)c2ccccc2F)cc(C)[nH+]1 ZINC001223426192 1135345024 /nfs/dbraw/zinc/34/50/24/1135345024.db2.gz ZWLNRKMUDCOPES-INIZCTEOSA-N 1 2 270.307 3.619 20 30 CHEDLO CCC[C@@H](C#Cc1ccccc1)Oc1cc[nH+]cc1 ZINC001225294128 1135536599 /nfs/dbraw/zinc/53/65/99/1135536599.db2.gz FUNHJFZWIGYHOY-INIZCTEOSA-N 1 2 251.329 3.681 20 30 CHEDLO CCc1ccc(C[N@H+](Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000356053523 529638614 /nfs/dbraw/zinc/63/86/14/529638614.db2.gz AFECHGVVIAMWKQ-UHFFFAOYSA-N 1 2 297.427 3.742 20 30 CHEDLO CCc1ccc(C[N@@H+](Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000356053523 529638619 /nfs/dbraw/zinc/63/86/19/529638619.db2.gz AFECHGVVIAMWKQ-UHFFFAOYSA-N 1 2 297.427 3.742 20 30 CHEDLO COc1ccc(C)cc1C[N@H+](CCC#N)CCC(C)C ZINC000353421441 533384002 /nfs/dbraw/zinc/38/40/02/533384002.db2.gz JUKWOFQALVCWGZ-UHFFFAOYSA-N 1 2 274.408 3.765 20 30 CHEDLO COc1ccc(C)cc1C[N@@H+](CCC#N)CCC(C)C ZINC000353421441 533384006 /nfs/dbraw/zinc/38/40/06/533384006.db2.gz JUKWOFQALVCWGZ-UHFFFAOYSA-N 1 2 274.408 3.765 20 30 CHEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H](c2ccco2)C1 ZINC000336011903 533642439 /nfs/dbraw/zinc/64/24/39/533642439.db2.gz OTNXNJNFMWDNCO-AAEUAGOBSA-N 1 2 287.388 3.581 20 30 CHEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H](c2ccco2)C1 ZINC000336011903 533642451 /nfs/dbraw/zinc/64/24/51/533642451.db2.gz OTNXNJNFMWDNCO-AAEUAGOBSA-N 1 2 287.388 3.581 20 30 CHEDLO Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000330002422 228013553 /nfs/dbraw/zinc/01/35/53/228013553.db2.gz BAYIUIWCKYVSDW-UHFFFAOYSA-N 1 2 285.347 3.584 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000353421074 228099931 /nfs/dbraw/zinc/09/99/31/228099931.db2.gz XZCXHNGSRJFSLE-UHFFFAOYSA-N 1 2 262.372 3.896 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000353421074 228099933 /nfs/dbraw/zinc/09/99/33/228099933.db2.gz XZCXHNGSRJFSLE-UHFFFAOYSA-N 1 2 262.372 3.896 20 30 CHEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356120491 228128988 /nfs/dbraw/zinc/12/89/88/228128988.db2.gz DMMCEQQWBLWFIZ-ZDUSSCGKSA-N 1 2 286.272 3.511 20 30 CHEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356120491 228128990 /nfs/dbraw/zinc/12/89/90/228128990.db2.gz DMMCEQQWBLWFIZ-ZDUSSCGKSA-N 1 2 286.272 3.511 20 30 CHEDLO N#CC[C@@H]1CC[C@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000336189129 228208810 /nfs/dbraw/zinc/20/88/10/228208810.db2.gz DIPTWEHOVUXKTL-FZMZJTMJSA-N 1 2 269.323 3.868 20 30 CHEDLO N#CC1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000336012039 228177896 /nfs/dbraw/zinc/17/78/96/228177896.db2.gz RXLPKDSLAUFHFG-UHFFFAOYSA-N 1 2 274.311 3.502 20 30 CHEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000037871229 260164971 /nfs/dbraw/zinc/16/49/71/260164971.db2.gz UZKBVDZGWGDRML-IUCAKERBSA-N 1 2 257.164 3.946 20 30 CHEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000154234044 261089270 /nfs/dbraw/zinc/08/92/70/261089270.db2.gz VQHJXYNTPSJJGW-CYJQLDTJSA-N 1 2 281.355 3.731 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1C1CCCC1 ZINC000449023221 261104703 /nfs/dbraw/zinc/10/47/03/261104703.db2.gz OQODDWAGDWXNKB-UHFFFAOYSA-N 1 2 288.439 3.760 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1C1CCCC1 ZINC000449023221 261104704 /nfs/dbraw/zinc/10/47/04/261104704.db2.gz OQODDWAGDWXNKB-UHFFFAOYSA-N 1 2 288.439 3.760 20 30 CHEDLO CCOc1ccccc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103226706 261277828 /nfs/dbraw/zinc/27/78/28/261277828.db2.gz LRULEGKQKYVAJS-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103226706 261277829 /nfs/dbraw/zinc/27/78/29/261277829.db2.gz LRULEGKQKYVAJS-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000164475025 261353223 /nfs/dbraw/zinc/35/32/23/261353223.db2.gz SLWWKEJEFNSPMW-JTQLQIEISA-N 1 2 262.740 3.868 20 30 CHEDLO COc1ccc2c(c1)C[N@@H+](CCC#N)[C@@H](c1ccccc1)C2 ZINC000164941795 261362279 /nfs/dbraw/zinc/36/22/79/261362279.db2.gz ZQKCWDYMUGKWMD-LJQANCHMSA-N 1 2 292.382 3.708 20 30 CHEDLO COc1ccc2c(c1)C[N@H+](CCC#N)[C@@H](c1ccccc1)C2 ZINC000164941795 261362281 /nfs/dbraw/zinc/36/22/81/261362281.db2.gz ZQKCWDYMUGKWMD-LJQANCHMSA-N 1 2 292.382 3.708 20 30 CHEDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cs1 ZINC000184737636 262028060 /nfs/dbraw/zinc/02/80/60/262028060.db2.gz URKXSWIHJOALPW-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(OCC3CC3)cc2)C1 ZINC000185729214 262068631 /nfs/dbraw/zinc/06/86/31/262068631.db2.gz UXRWFPXOLPLAKS-GOEBONIOSA-N 1 2 270.376 3.970 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192398492 262202517 /nfs/dbraw/zinc/20/25/17/262202517.db2.gz ZGUGRSCKFYGCKP-ZWILPSFYSA-N 1 2 281.355 3.589 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000227521015 262391604 /nfs/dbraw/zinc/39/16/04/262391604.db2.gz XELFTTWZUURIML-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000273823649 263019548 /nfs/dbraw/zinc/01/95/48/263019548.db2.gz DHUSRQJRAVFREK-NSHDSACASA-N 1 2 274.261 3.626 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000273851686 263019926 /nfs/dbraw/zinc/01/99/26/263019926.db2.gz KDUAJKQEDOCJFX-GFCCVEGCSA-N 1 2 272.323 3.868 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279642558 263056538 /nfs/dbraw/zinc/05/65/38/263056538.db2.gz LYMSNCZVTODROU-LLVKDONJSA-N 1 2 299.340 3.505 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279642558 263056539 /nfs/dbraw/zinc/05/65/39/263056539.db2.gz LYMSNCZVTODROU-LLVKDONJSA-N 1 2 299.340 3.505 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnn1C(C)C ZINC000279645528 263056642 /nfs/dbraw/zinc/05/66/42/263056642.db2.gz MGDBIEIXKJOACQ-UHFFFAOYSA-N 1 2 276.428 3.616 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1C(C)C ZINC000279645528 263056643 /nfs/dbraw/zinc/05/66/43/263056643.db2.gz MGDBIEIXKJOACQ-UHFFFAOYSA-N 1 2 276.428 3.616 20 30 CHEDLO Cc1cc[nH+]cc1CCCNc1ccccc1O[C@H](C)C#N ZINC000289961432 263113469 /nfs/dbraw/zinc/11/34/69/263113469.db2.gz BGXBWKITGKGUGS-OAHLLOKOSA-N 1 2 295.386 3.726 20 30 CHEDLO N#CC[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000295076939 263172007 /nfs/dbraw/zinc/17/20/07/263172007.db2.gz XDMYGHLPBIZBLA-ONGXEEELSA-N 1 2 269.270 3.595 20 30 CHEDLO C[C@H](CCC#N)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000298611561 263222956 /nfs/dbraw/zinc/22/29/56/263222956.db2.gz MGFIRJKTMXQFNJ-OCCSQVGLSA-N 1 2 271.389 3.514 20 30 CHEDLO C#CCCCCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000120342441 263283069 /nfs/dbraw/zinc/28/30/69/263283069.db2.gz GBZWJQYKUDENEM-UHFFFAOYSA-N 1 2 295.386 3.583 20 30 CHEDLO C=CCN(Cc1c[nH+]cn1C(C)C)c1ccccc1 ZINC000425346564 264018527 /nfs/dbraw/zinc/01/85/27/264018527.db2.gz WNDZJRLRSPZWLC-UHFFFAOYSA-N 1 2 255.365 3.657 20 30 CHEDLO CCC[C@H](CC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331336839 264193509 /nfs/dbraw/zinc/19/35/09/264193509.db2.gz QOSMHSXJJJMROO-ZDUSSCGKSA-N 1 2 263.385 3.911 20 30 CHEDLO CCSCC[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331340252 264194469 /nfs/dbraw/zinc/19/44/69/264194469.db2.gz SBDRSPYCPJCPQD-LLVKDONJSA-N 1 2 295.452 3.864 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1noc(C2CCCCC2)n1 ZINC000127721417 264262930 /nfs/dbraw/zinc/26/29/30/264262930.db2.gz OZGPGLILVBYTIG-UHFFFAOYSA-N 1 2 263.385 3.515 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1noc(C2CCCCC2)n1 ZINC000127721417 264262933 /nfs/dbraw/zinc/26/29/33/264262933.db2.gz OZGPGLILVBYTIG-UHFFFAOYSA-N 1 2 263.385 3.515 20 30 CHEDLO C=CC[N@@H+](Cc1csc(C(C)(C)C)n1)C1CC1 ZINC000357552097 266320419 /nfs/dbraw/zinc/32/04/19/266320419.db2.gz KERWCMUSZKPXJG-UHFFFAOYSA-N 1 2 250.411 3.591 20 30 CHEDLO C=CC[N@H+](Cc1csc(C(C)(C)C)n1)C1CC1 ZINC000357552097 266320422 /nfs/dbraw/zinc/32/04/22/266320422.db2.gz KERWCMUSZKPXJG-UHFFFAOYSA-N 1 2 250.411 3.591 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000357777781 266359305 /nfs/dbraw/zinc/35/93/05/266359305.db2.gz BAUPHUFMMLIUFZ-CYBMUJFWSA-N 1 2 280.346 3.644 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(F)cc1C#N ZINC000357777781 266359306 /nfs/dbraw/zinc/35/93/06/266359306.db2.gz BAUPHUFMMLIUFZ-CYBMUJFWSA-N 1 2 280.346 3.644 20 30 CHEDLO CCc1noc(C)c1C[N@@H+](CCC#N)CC(CC)CC ZINC000119417433 267334154 /nfs/dbraw/zinc/33/41/54/267334154.db2.gz MTNODMADPPNOOC-UHFFFAOYSA-N 1 2 277.412 3.697 20 30 CHEDLO CCc1noc(C)c1C[N@H+](CCC#N)CC(CC)CC ZINC000119417433 267334156 /nfs/dbraw/zinc/33/41/56/267334156.db2.gz MTNODMADPPNOOC-UHFFFAOYSA-N 1 2 277.412 3.697 20 30 CHEDLO N#CC1(C[NH2+]Cc2c(Cl)oc3ccccc32)CCC1 ZINC000418139017 267362086 /nfs/dbraw/zinc/36/20/86/267362086.db2.gz HCTKMQVHADGJJT-UHFFFAOYSA-N 1 2 274.751 3.870 20 30 CHEDLO N#CC1(C[NH2+]Cc2csc(-c3ccccc3)n2)CCC1 ZINC000418143517 267364764 /nfs/dbraw/zinc/36/47/64/267364764.db2.gz PXUPGSVUDJOAGW-UHFFFAOYSA-N 1 2 283.400 3.594 20 30 CHEDLO CC(C)COC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccco1 ZINC000179081359 327798716 /nfs/dbraw/zinc/79/87/16/327798716.db2.gz ZEZICWXDSXHKGU-QGZVFWFLSA-N 1 2 298.386 3.655 20 30 CHEDLO C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000582683829 329127834 /nfs/dbraw/zinc/12/78/34/329127834.db2.gz LUEFCHOKCMPDRU-ZIAGYGMSSA-N 1 2 259.397 3.694 20 30 CHEDLO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000287473670 328251235 /nfs/dbraw/zinc/25/12/35/328251235.db2.gz WNMKFRBWAFGTAK-GRTSSRMGSA-N 1 2 296.336 3.931 20 30 CHEDLO Cc1ccc(COc2ccc(C#N)c(Cl)c2)c(C)[nH+]1 ZINC000190269953 328490006 /nfs/dbraw/zinc/49/00/06/328490006.db2.gz WCVQKOOYLSBPOD-UHFFFAOYSA-N 1 2 272.735 3.803 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000560169826 327288458 /nfs/dbraw/zinc/28/84/58/327288458.db2.gz AHHPGFQEFZWHAQ-MRXNPFEDSA-N 1 2 296.336 3.775 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000560169826 327288459 /nfs/dbraw/zinc/28/84/59/327288459.db2.gz AHHPGFQEFZWHAQ-MRXNPFEDSA-N 1 2 296.336 3.775 20 30 CHEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000561169277 327371130 /nfs/dbraw/zinc/37/11/30/327371130.db2.gz QHMURXGQNOJDKR-UHFFFAOYSA-N 1 2 286.419 3.575 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171616767 329074847 /nfs/dbraw/zinc/07/48/47/329074847.db2.gz DMJAOIPVHLDVRK-UHFFFAOYSA-N 1 2 287.366 3.598 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171616767 329074848 /nfs/dbraw/zinc/07/48/48/329074848.db2.gz DMJAOIPVHLDVRK-UHFFFAOYSA-N 1 2 287.366 3.598 20 30 CHEDLO Cc1c(C[N@@H+](CCC#N)CCC(C)C)cccc1[N+](=O)[O-] ZINC000173545589 329148685 /nfs/dbraw/zinc/14/86/85/329148685.db2.gz RNHWLALIJUGOBK-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO Cc1c(C[N@H+](CCC#N)CCC(C)C)cccc1[N+](=O)[O-] ZINC000173545589 329148687 /nfs/dbraw/zinc/14/86/87/329148687.db2.gz RNHWLALIJUGOBK-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187056831 329351826 /nfs/dbraw/zinc/35/18/26/329351826.db2.gz YWTGJPYXAZDPPE-MNOVXSKESA-N 1 2 280.824 3.537 20 30 CHEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187056831 329351828 /nfs/dbraw/zinc/35/18/28/329351828.db2.gz YWTGJPYXAZDPPE-MNOVXSKESA-N 1 2 280.824 3.537 20 30 CHEDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000187099944 329353919 /nfs/dbraw/zinc/35/39/19/329353919.db2.gz KFSKUQATCQUTGN-CQSZACIVSA-N 1 2 280.824 3.539 20 30 CHEDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000187099944 329353920 /nfs/dbraw/zinc/35/39/20/329353920.db2.gz KFSKUQATCQUTGN-CQSZACIVSA-N 1 2 280.824 3.539 20 30 CHEDLO C=CCC1(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCC1 ZINC000189005036 329374880 /nfs/dbraw/zinc/37/48/80/329374880.db2.gz HOYAPWFSHXKNBC-UHFFFAOYSA-N 1 2 295.386 3.772 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000269761613 330070227 /nfs/dbraw/zinc/07/02/27/330070227.db2.gz HIGMMIHKXYYYDQ-UHFFFAOYSA-N 1 2 290.313 3.772 20 30 CHEDLO C#CC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000270225092 330074088 /nfs/dbraw/zinc/07/40/88/330074088.db2.gz NVPOJSOUFMYCQS-HNNXBMFYSA-N 1 2 263.344 3.531 20 30 CHEDLO C=CCc1cccc(C(C)C)c1NCc1c[nH+]cn1C ZINC000276558976 330114038 /nfs/dbraw/zinc/11/40/38/330114038.db2.gz MNTGFFUKTKCIEU-UHFFFAOYSA-N 1 2 269.392 3.884 20 30 CHEDLO C=CC[C@@H]1[N@@H+](Cc2noc(C3CC3)n2)CCCC1(C)C ZINC000277874184 330118548 /nfs/dbraw/zinc/11/85/48/330118548.db2.gz UYUDULNCYIXBMS-ZDUSSCGKSA-N 1 2 275.396 3.514 20 30 CHEDLO C=CC[C@@H]1[N@H+](Cc2noc(C3CC3)n2)CCCC1(C)C ZINC000277874184 330118550 /nfs/dbraw/zinc/11/85/50/330118550.db2.gz UYUDULNCYIXBMS-ZDUSSCGKSA-N 1 2 275.396 3.514 20 30 CHEDLO C=C(C)C[N@H+](Cc1nccn1C(F)F)Cc1ccccc1 ZINC000279275524 330125128 /nfs/dbraw/zinc/12/51/28/330125128.db2.gz JQYSREZVZQHMFB-UHFFFAOYSA-N 1 2 291.345 3.857 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nccn1C(F)F)Cc1ccccc1 ZINC000279275524 330125130 /nfs/dbraw/zinc/12/51/30/330125130.db2.gz JQYSREZVZQHMFB-UHFFFAOYSA-N 1 2 291.345 3.857 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc(C(C)(C)C)cs1 ZINC000121047790 330395390 /nfs/dbraw/zinc/39/53/90/330395390.db2.gz VAQHZNYVVZYMOE-UHFFFAOYSA-N 1 2 250.411 3.615 20 30 CHEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121267798 330398843 /nfs/dbraw/zinc/39/88/43/330398843.db2.gz OGCQPYIBWMOFAS-UHFFFAOYSA-N 1 2 298.173 3.661 20 30 CHEDLO C=CC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121267798 330398844 /nfs/dbraw/zinc/39/88/44/330398844.db2.gz OGCQPYIBWMOFAS-UHFFFAOYSA-N 1 2 298.173 3.661 20 30 CHEDLO CCCc1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433019481 330612376 /nfs/dbraw/zinc/61/23/76/330612376.db2.gz JTTRCPJVGPMNOE-HNNXBMFYSA-N 1 2 298.390 3.547 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000447326349 330864914 /nfs/dbraw/zinc/86/49/14/330864914.db2.gz OOBNOXMMUZLEDH-VIFPVBQESA-N 1 2 269.175 3.948 20 30 CHEDLO Cc1ccc([C@H]([NH2+]CC2(C#N)CCC2)c2ccccn2)cc1 ZINC000450889696 331005065 /nfs/dbraw/zinc/00/50/65/331005065.db2.gz RVGLZEDYAOLTGB-SFHVURJKSA-N 1 2 291.398 3.763 20 30 CHEDLO N#CCC[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451161444 331018150 /nfs/dbraw/zinc/01/81/50/331018150.db2.gz YMSODYQNFLJLDK-UHFFFAOYSA-N 1 2 262.356 3.625 20 30 CHEDLO N#CCC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451161444 331018151 /nfs/dbraw/zinc/01/81/51/331018151.db2.gz YMSODYQNFLJLDK-UHFFFAOYSA-N 1 2 262.356 3.625 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000451972434 331049058 /nfs/dbraw/zinc/04/90/58/331049058.db2.gz OKLZIWGMIJDNHP-OAHLLOKOSA-N 1 2 276.330 3.796 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000451972434 331049059 /nfs/dbraw/zinc/04/90/59/331049059.db2.gz OKLZIWGMIJDNHP-OAHLLOKOSA-N 1 2 276.330 3.796 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000164676203 331280791 /nfs/dbraw/zinc/28/07/91/331280791.db2.gz QJQMOSSLYUQMJC-UHFFFAOYSA-N 1 2 257.164 3.633 20 30 CHEDLO C=C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C=C)[nH+]cn1 ZINC000486498305 331938655 /nfs/dbraw/zinc/93/86/55/331938655.db2.gz QDXXRCHLWMQPOD-HOTGVXAUSA-N 1 2 298.434 3.566 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000489410959 332051001 /nfs/dbraw/zinc/05/10/01/332051001.db2.gz VKHXZEXZSYVAQM-CYBMUJFWSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000489410959 332051002 /nfs/dbraw/zinc/05/10/02/332051002.db2.gz VKHXZEXZSYVAQM-CYBMUJFWSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc([C@@H](C)OCC)n1 ZINC000489442074 332052627 /nfs/dbraw/zinc/05/26/27/332052627.db2.gz ACEQQEUQFAADFC-OCCSQVGLSA-N 1 2 280.437 3.781 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc([C@@H](C)OCC)n1 ZINC000489442074 332052629 /nfs/dbraw/zinc/05/26/29/332052629.db2.gz ACEQQEUQFAADFC-OCCSQVGLSA-N 1 2 280.437 3.781 20 30 CHEDLO Cc1cc(C)c(NC(=O)/C=C/c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000491279964 332180472 /nfs/dbraw/zinc/18/04/72/332180472.db2.gz ROMCYHIAPLCCTM-CMDGGOBGSA-N 1 2 291.354 3.530 20 30 CHEDLO Cc1cc(C)c(NC(=O)/C=C\c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000491279965 332180572 /nfs/dbraw/zinc/18/05/72/332180572.db2.gz ROMCYHIAPLCCTM-HJWRWDBZSA-N 1 2 291.354 3.530 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cscn1 ZINC000576293320 335185361 /nfs/dbraw/zinc/18/53/61/335185361.db2.gz QIHZLMKYEAMVNZ-UWVGGRQHSA-N 1 2 275.352 3.566 20 30 CHEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000249877326 334341813 /nfs/dbraw/zinc/34/18/13/334341813.db2.gz MCYWOQKIMDOVQP-NWDGAFQWSA-N 1 2 250.773 3.883 20 30 CHEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000249877326 334341814 /nfs/dbraw/zinc/34/18/14/334341814.db2.gz MCYWOQKIMDOVQP-NWDGAFQWSA-N 1 2 250.773 3.883 20 30 CHEDLO C=CC[NH+](CC=C)Cc1c(Cl)cccc1OC ZINC000505903703 332757395 /nfs/dbraw/zinc/75/73/95/332757395.db2.gz USOJCNUYLBOLNZ-UHFFFAOYSA-N 1 2 251.757 3.523 20 30 CHEDLO C=CCOc1ccccc1CNc1ccc2ccccc2[nH+]1 ZINC000512945517 332995262 /nfs/dbraw/zinc/99/52/62/332995262.db2.gz AHAJAAGFHLTSSC-UHFFFAOYSA-N 1 2 290.366 3.834 20 30 CHEDLO Cn1c(NCc2ccc(C#N)cc2)[nH+]c2cccc(Cl)c21 ZINC000184310240 333126738 /nfs/dbraw/zinc/12/67/38/333126738.db2.gz LRZXHHJOVDIYLX-UHFFFAOYSA-N 1 2 296.761 3.710 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1ccco1)c1ccc(F)c(F)c1 ZINC000187369810 333169752 /nfs/dbraw/zinc/16/97/52/333169752.db2.gz RVEGMHSNVFWREQ-HNNXBMFYSA-N 1 2 263.287 3.965 20 30 CHEDLO Cc1cc(Nc2cccc(OCCCC#N)c2)nc(C)[nH+]1 ZINC000194080472 333264959 /nfs/dbraw/zinc/26/49/59/333264959.db2.gz QDPMUWUMWFDANJ-UHFFFAOYSA-N 1 2 282.347 3.520 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nc(C(C)(C)C)cs1 ZINC000174365507 335153349 /nfs/dbraw/zinc/15/33/49/335153349.db2.gz SWWYKMHRBJRJRW-JTQLQIEISA-N 1 2 289.404 3.756 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)o1 ZINC000135135377 334117303 /nfs/dbraw/zinc/11/73/03/334117303.db2.gz UAICSPMNHUCJDI-KRWDZBQOSA-N 1 2 278.311 3.623 20 30 CHEDLO C=C(C)C[C@H](C)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000565917107 334608723 /nfs/dbraw/zinc/60/87/23/334608723.db2.gz REFJAGWJPKGEBP-ZDUSSCGKSA-N 1 2 296.374 3.686 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1nc(-c2ccc(C)cc2)cs1 ZINC000581675344 336126614 /nfs/dbraw/zinc/12/66/14/336126614.db2.gz PDYVJXVGTSTCDR-CQSZACIVSA-N 1 2 285.416 3.900 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CC[C@H](C)O2)[nH+]1 ZINC000330208087 534520551 /nfs/dbraw/zinc/52/05/51/534520551.db2.gz ATPDCQFIGXXFRT-SMDDNHRTSA-N 1 2 285.347 3.541 20 30 CHEDLO CC[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1C#N ZINC000274814397 521420655 /nfs/dbraw/zinc/42/06/55/521420655.db2.gz IMYCUDXCQJVYTB-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(Cl)cc1C#N ZINC000274814397 521420662 /nfs/dbraw/zinc/42/06/62/521420662.db2.gz IMYCUDXCQJVYTB-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[N@H+](Cc1ncc(C(C)(C)C)s1)Cc1cccc(C#N)c1 ZINC000280041919 523576270 /nfs/dbraw/zinc/57/62/70/523576270.db2.gz ZKQLYUKDFSJALA-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[N@@H+](Cc1ncc(C(C)(C)C)s1)Cc1cccc(C#N)c1 ZINC000280041919 523576275 /nfs/dbraw/zinc/57/62/75/523576275.db2.gz ZKQLYUKDFSJALA-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCC1(F)F ZINC000289941525 524993658 /nfs/dbraw/zinc/99/36/58/524993658.db2.gz VJMUTULSVSHAFV-SNVBAGLBSA-N 1 2 284.737 3.689 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC1(F)F ZINC000289941525 524993667 /nfs/dbraw/zinc/99/36/67/524993667.db2.gz VJMUTULSVSHAFV-SNVBAGLBSA-N 1 2 284.737 3.689 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1Nc1snc(Cl)c1C#N ZINC000301936785 525024819 /nfs/dbraw/zinc/02/48/19/525024819.db2.gz VAVKBCOJZQRSJD-UHFFFAOYSA-N 1 2 292.795 3.786 20 30 CHEDLO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C2CC2)[nH+]1 ZINC000265373476 525300252 /nfs/dbraw/zinc/30/02/52/525300252.db2.gz PDSDRJRUHDINKC-GFCCVEGCSA-N 1 2 278.359 3.707 20 30 CHEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000069067447 526135131 /nfs/dbraw/zinc/13/51/31/526135131.db2.gz DPODWNAAWTZJLD-ZDUSSCGKSA-N 1 2 279.343 3.597 20 30 CHEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000069067447 526135136 /nfs/dbraw/zinc/13/51/36/526135136.db2.gz DPODWNAAWTZJLD-ZDUSSCGKSA-N 1 2 279.343 3.597 20 30 CHEDLO C=C(CNC(=O)Nc1c(C)cc[nH+]c1C)c1ccccc1 ZINC000351930869 526876840 /nfs/dbraw/zinc/87/68/40/526876840.db2.gz KYPZFDXHFVGDKQ-UHFFFAOYSA-N 1 2 281.359 3.533 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(F)ccc1F ZINC000353416162 527716204 /nfs/dbraw/zinc/71/62/04/527716204.db2.gz LBKDRKVWPFAAML-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(F)ccc1F ZINC000353416162 527716207 /nfs/dbraw/zinc/71/62/07/527716207.db2.gz LBKDRKVWPFAAML-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cscc1C(F)(F)F ZINC000356096104 528376354 /nfs/dbraw/zinc/37/63/54/528376354.db2.gz YCUFMEKCWJNULM-UHFFFAOYSA-N 1 2 262.300 3.502 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cscc1C(F)(F)F ZINC000356096104 528376361 /nfs/dbraw/zinc/37/63/61/528376361.db2.gz YCUFMEKCWJNULM-UHFFFAOYSA-N 1 2 262.300 3.502 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352011007 528376548 /nfs/dbraw/zinc/37/65/48/528376548.db2.gz MZMGEQYCJDEMPC-UHFFFAOYSA-N 1 2 255.365 3.520 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352011007 528376552 /nfs/dbraw/zinc/37/65/52/528376552.db2.gz MZMGEQYCJDEMPC-UHFFFAOYSA-N 1 2 255.365 3.520 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2c(C)cccn12 ZINC000353420915 528749468 /nfs/dbraw/zinc/74/94/68/528749468.db2.gz IINOMXQQKYUSNI-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2c(C)cccn12 ZINC000353420915 528749471 /nfs/dbraw/zinc/74/94/71/528749471.db2.gz IINOMXQQKYUSNI-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)CN(CCC#N)Cc1c[nH+]c2c(C)cccn12 ZINC000353420915 528749476 /nfs/dbraw/zinc/74/94/76/528749476.db2.gz IINOMXQQKYUSNI-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CC1(C#N)CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000332374180 528833089 /nfs/dbraw/zinc/83/30/89/528833089.db2.gz CISUHTBEDKVXAM-UHFFFAOYSA-N 1 2 298.434 3.956 20 30 CHEDLO CCCCCCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212743174 1125481906 /nfs/dbraw/zinc/48/19/06/1125481906.db2.gz CCAMBLBNLOUPFR-UHFFFAOYSA-N 1 2 291.439 3.866 20 30 CHEDLO CCCCCCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212743174 1125481909 /nfs/dbraw/zinc/48/19/09/1125481909.db2.gz CCAMBLBNLOUPFR-UHFFFAOYSA-N 1 2 291.439 3.866 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccsc2)cc1C#N ZINC001239511248 1118327050 /nfs/dbraw/zinc/32/70/50/1118327050.db2.gz AXCJOHLMKKCGTN-MHWRWJLKSA-N 1 2 255.346 3.508 20 30 CHEDLO COc1ccsc1C[N@H+](CCC#N)CCC(C)C ZINC000093100816 1119569747 /nfs/dbraw/zinc/56/97/47/1119569747.db2.gz VHZQCBHIRLAAKG-UHFFFAOYSA-N 1 2 266.410 3.518 20 30 CHEDLO COc1ccsc1C[N@@H+](CCC#N)CCC(C)C ZINC000093100816 1119569749 /nfs/dbraw/zinc/56/97/49/1119569749.db2.gz VHZQCBHIRLAAKG-UHFFFAOYSA-N 1 2 266.410 3.518 20 30 CHEDLO CC([NH2+]Nc1ccc(F)c(F)c1F)=C1CC1(F)F ZINC000841641618 1125339841 /nfs/dbraw/zinc/33/98/41/1125339841.db2.gz YGOCQKBEAODAIF-LURJTMIESA-N 1 2 264.197 3.547 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112104 1132423541 /nfs/dbraw/zinc/42/35/41/1132423541.db2.gz OOGRNTQEYNAKSA-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000058575374 1125541687 /nfs/dbraw/zinc/54/16/87/1125541687.db2.gz NNKKWCAPRKIUCB-SECBINFHSA-N 1 2 257.164 3.727 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000058575374 1125541692 /nfs/dbraw/zinc/54/16/92/1125541692.db2.gz NNKKWCAPRKIUCB-SECBINFHSA-N 1 2 257.164 3.727 20 30 CHEDLO C=CCOCCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000475996638 1125729350 /nfs/dbraw/zinc/72/93/50/1125729350.db2.gz RPYRRQVNJJYCPE-UHFFFAOYSA-N 1 2 287.359 3.523 20 30 CHEDLO Cc1ccc(O)c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c1 ZINC000757468606 1125756712 /nfs/dbraw/zinc/75/67/12/1125756712.db2.gz SKHOKMPDMOVEMD-VURMDHGXSA-N 1 2 292.338 3.553 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(C2CCC2)s1 ZINC000768155324 1129837020 /nfs/dbraw/zinc/83/70/20/1129837020.db2.gz YUJUEVGIOFPZOQ-UHFFFAOYSA-N 1 2 277.437 3.782 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(C2CCC2)s1 ZINC000768155324 1129837024 /nfs/dbraw/zinc/83/70/24/1129837024.db2.gz YUJUEVGIOFPZOQ-UHFFFAOYSA-N 1 2 277.437 3.782 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000483072762 1126767155 /nfs/dbraw/zinc/76/71/55/1126767155.db2.gz WJHREIFMOVFGNN-FZKQIMNGSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000483072762 1126767159 /nfs/dbraw/zinc/76/71/59/1126767159.db2.gz WJHREIFMOVFGNN-FZKQIMNGSA-N 1 2 280.346 3.890 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(Br)s1)CC1CC1 ZINC000174692644 1126772783 /nfs/dbraw/zinc/77/27/83/1126772783.db2.gz KRQSBUUOIUAVLK-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Br)s1)CC1CC1 ZINC000174692644 1126772785 /nfs/dbraw/zinc/77/27/85/1126772785.db2.gz KRQSBUUOIUAVLK-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO CC(C)[C@H](C#N)Oc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904849482 1126879726 /nfs/dbraw/zinc/87/97/26/1126879726.db2.gz NMZPAZKFCSKAJX-KRWDZBQOSA-N 1 2 295.386 3.742 20 30 CHEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cs1 ZINC000184680111 1126896616 /nfs/dbraw/zinc/89/66/16/1126896616.db2.gz CJEMWMKCOBDRMU-LBPRGKRZSA-N 1 2 288.391 3.547 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cnccn1)c1ccc(F)c(F)c1 ZINC000186455483 1126906820 /nfs/dbraw/zinc/90/68/20/1126906820.db2.gz ROBHZRRAHWHAOB-BZNIZROVSA-N 1 2 289.329 3.723 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000187941174 1126917838 /nfs/dbraw/zinc/91/78/38/1126917838.db2.gz QFWZEFMUBAKNFT-LBPRGKRZSA-N 1 2 280.799 3.861 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000187941174 1126917839 /nfs/dbraw/zinc/91/78/39/1126917839.db2.gz QFWZEFMUBAKNFT-LBPRGKRZSA-N 1 2 280.799 3.861 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1sccc1Br ZINC000129202853 1127006889 /nfs/dbraw/zinc/00/68/89/1127006889.db2.gz HIBRIRRZQZEKCR-QMMMGPOBSA-N 1 2 287.226 3.711 20 30 CHEDLO C=C[C@H](CC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000339208958 1127119478 /nfs/dbraw/zinc/11/94/78/1127119478.db2.gz SFDJBJAWTRCRIB-CQSZACIVSA-N 1 2 291.354 3.633 20 30 CHEDLO C=C(Cl)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000913395715 1127131475 /nfs/dbraw/zinc/13/14/75/1127131475.db2.gz PHPPYQIXJHIURL-CYBMUJFWSA-N 1 2 299.245 3.771 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c1 ZINC000151386642 1127133296 /nfs/dbraw/zinc/13/32/96/1127133296.db2.gz XWZOWHVVFSBQJD-BQYQJAHWSA-N 1 2 276.339 3.847 20 30 CHEDLO C=CC[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000667118938 1127260860 /nfs/dbraw/zinc/26/08/60/1127260860.db2.gz CHQCCPWTQZAIKD-OAHLLOKOSA-N 1 2 287.407 3.827 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000590648766 1127267146 /nfs/dbraw/zinc/26/71/46/1127267146.db2.gz DCYMKQFUESGLIN-OAHLLOKOSA-N 1 2 289.766 3.607 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000590648766 1127267148 /nfs/dbraw/zinc/26/71/48/1127267148.db2.gz DCYMKQFUESGLIN-OAHLLOKOSA-N 1 2 289.766 3.607 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)ccn1 ZINC000590763964 1127270534 /nfs/dbraw/zinc/27/05/34/1127270534.db2.gz SHAUTGFWJNHEAO-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)ccn1 ZINC000590763964 1127270535 /nfs/dbraw/zinc/27/05/35/1127270535.db2.gz SHAUTGFWJNHEAO-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000354025458 1127286748 /nfs/dbraw/zinc/28/67/48/1127286748.db2.gz DSJOINXPXQAENT-JTQLQIEISA-N 1 2 298.308 3.551 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000354025458 1127286751 /nfs/dbraw/zinc/28/67/51/1127286751.db2.gz DSJOINXPXQAENT-JTQLQIEISA-N 1 2 298.308 3.551 20 30 CHEDLO N#CC1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000057906918 1127288923 /nfs/dbraw/zinc/28/89/23/1127288923.db2.gz CEKDUJDMZQWFDH-UHFFFAOYSA-N 1 2 285.778 3.624 20 30 CHEDLO C=CC[N@H+](Cc1cc(C2CC2)no1)Cc1cccc(C#N)c1 ZINC000595296877 1127457649 /nfs/dbraw/zinc/45/76/49/1127457649.db2.gz NFFRQTFJSAOYFF-UHFFFAOYSA-N 1 2 293.370 3.612 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C2CC2)no1)Cc1cccc(C#N)c1 ZINC000595296877 1127457650 /nfs/dbraw/zinc/45/76/50/1127457650.db2.gz NFFRQTFJSAOYFF-UHFFFAOYSA-N 1 2 293.370 3.612 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595347272 1127458896 /nfs/dbraw/zinc/45/88/96/1127458896.db2.gz PLKLOBKMCMWYCH-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595347272 1127458898 /nfs/dbraw/zinc/45/88/98/1127458898.db2.gz PLKLOBKMCMWYCH-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO CC[C@H](CC(F)F)C[N@H+](CCC#N)Cc1ccco1 ZINC000595332262 1127459116 /nfs/dbraw/zinc/45/91/16/1127459116.db2.gz IHVSFKVMYVARNE-GFCCVEGCSA-N 1 2 270.323 3.677 20 30 CHEDLO CC[C@H](CC(F)F)C[N@@H+](CCC#N)Cc1ccco1 ZINC000595332262 1127459118 /nfs/dbraw/zinc/45/91/18/1127459118.db2.gz IHVSFKVMYVARNE-GFCCVEGCSA-N 1 2 270.323 3.677 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)CCSc1cccc(Cl)c1 ZINC000595302145 1127459398 /nfs/dbraw/zinc/45/93/98/1127459398.db2.gz RYFUYTUXQMAKKW-NSHDSACASA-N 1 2 268.813 3.524 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1cccc(Cl)c1 ZINC000595302145 1127459399 /nfs/dbraw/zinc/45/93/99/1127459399.db2.gz RYFUYTUXQMAKKW-NSHDSACASA-N 1 2 268.813 3.524 20 30 CHEDLO CC[C@@H](CC(F)F)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000595463858 1127463610 /nfs/dbraw/zinc/46/36/10/1127463610.db2.gz BBTJFQYRRRFXQE-RYUDHWBXSA-N 1 2 258.356 3.682 20 30 CHEDLO CC[C@@H](CC(F)F)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000595463858 1127463611 /nfs/dbraw/zinc/46/36/11/1127463611.db2.gz BBTJFQYRRRFXQE-RYUDHWBXSA-N 1 2 258.356 3.682 20 30 CHEDLO CC(C)c1ccc2c(c1)C[N@@H+](C[C@H](C#N)CCC#N)CC2 ZINC000595657794 1127472222 /nfs/dbraw/zinc/47/22/22/1127472222.db2.gz OMNOOIGVQNOQKT-HNNXBMFYSA-N 1 2 281.403 3.612 20 30 CHEDLO CC(C)c1ccc2c(c1)C[N@H+](C[C@H](C#N)CCC#N)CC2 ZINC000595657794 1127472223 /nfs/dbraw/zinc/47/22/23/1127472223.db2.gz OMNOOIGVQNOQKT-HNNXBMFYSA-N 1 2 281.403 3.612 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000595843833 1127478097 /nfs/dbraw/zinc/47/80/97/1127478097.db2.gz NUHODLKQFJZBFC-GJZGRUSLSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000595843833 1127478099 /nfs/dbraw/zinc/47/80/99/1127478099.db2.gz NUHODLKQFJZBFC-GJZGRUSLSA-N 1 2 260.768 3.563 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842624 1127478119 /nfs/dbraw/zinc/47/81/19/1127478119.db2.gz UDNNLXQVLQLUSL-KRWDZBQOSA-N 1 2 271.408 3.503 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842624 1127478121 /nfs/dbraw/zinc/47/81/21/1127478121.db2.gz UDNNLXQVLQLUSL-KRWDZBQOSA-N 1 2 271.408 3.503 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000595843834 1127478497 /nfs/dbraw/zinc/47/84/97/1127478497.db2.gz NUHODLKQFJZBFC-HUUCEWRRSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000595843834 1127478500 /nfs/dbraw/zinc/47/85/00/1127478500.db2.gz NUHODLKQFJZBFC-HUUCEWRRSA-N 1 2 260.768 3.563 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CCSCc1ccccc1)C2 ZINC000593127449 1127479194 /nfs/dbraw/zinc/47/91/94/1127479194.db2.gz QSEAMZAAYWJJDR-UHFFFAOYSA-N 1 2 294.423 3.807 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CCSCc1ccccc1)C2 ZINC000593127449 1127479198 /nfs/dbraw/zinc/47/91/98/1127479198.db2.gz QSEAMZAAYWJJDR-UHFFFAOYSA-N 1 2 294.423 3.807 20 30 CHEDLO N#Cc1cnnc(Nc2ccc([NH2+]CC3CCCC3)cc2)c1 ZINC000596109838 1127484302 /nfs/dbraw/zinc/48/43/02/1127484302.db2.gz KZUHNUJCTYDWHM-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO N#CC1(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000360748035 1127509494 /nfs/dbraw/zinc/50/94/94/1127509494.db2.gz UULYKZOGYLBNKG-UHFFFAOYSA-N 1 2 272.779 3.733 20 30 CHEDLO N#CC1(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000360748035 1127509496 /nfs/dbraw/zinc/50/94/96/1127509496.db2.gz UULYKZOGYLBNKG-UHFFFAOYSA-N 1 2 272.779 3.733 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361308549 1127555635 /nfs/dbraw/zinc/55/56/35/1127555635.db2.gz AJPHCGBAAWJEHY-RBUKOAKNSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361308549 1127555638 /nfs/dbraw/zinc/55/56/38/1127555638.db2.gz AJPHCGBAAWJEHY-RBUKOAKNSA-N 1 2 291.398 3.601 20 30 CHEDLO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602017042 1127558073 /nfs/dbraw/zinc/55/80/73/1127558073.db2.gz LKHPRLHKEGJOQP-QGZVFWFLSA-N 1 2 296.345 3.619 20 30 CHEDLO C[N@H+](Cc1ccc(Br)s1)[C@H]1CCC[C@@H]1C#N ZINC000602976105 1127625790 /nfs/dbraw/zinc/62/57/90/1127625790.db2.gz KWBXPPOWYMMRNQ-KOLCDFICSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCC[C@@H]1C#N ZINC000602976105 1127625791 /nfs/dbraw/zinc/62/57/91/1127625791.db2.gz KWBXPPOWYMMRNQ-KOLCDFICSA-N 1 2 299.237 3.635 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@H](C(F)F)C2CCCCC2)cc1 ZINC000598647471 1127630567 /nfs/dbraw/zinc/63/05/67/1127630567.db2.gz BFTBGCHFUZJWQG-HNNXBMFYSA-N 1 2 278.346 3.862 20 30 CHEDLO N#Cc1cccc(C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598649802 1127630678 /nfs/dbraw/zinc/63/06/78/1127630678.db2.gz GEXGKHGPHRPCDP-HNNXBMFYSA-N 1 2 278.346 3.862 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000411159962 1127845256 /nfs/dbraw/zinc/84/52/56/1127845256.db2.gz ASJXAHVCYNQFMQ-LLVKDONJSA-N 1 2 275.377 3.533 20 30 CHEDLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCC#N ZINC000411469254 1127861224 /nfs/dbraw/zinc/86/12/24/1127861224.db2.gz LNHSLTKEAPNLEX-AWEZNQCLSA-N 1 2 280.799 3.939 20 30 CHEDLO Cc1cc(NCCCCC#N)nc(-c2ccccc2)[nH+]1 ZINC001168427154 1127909373 /nfs/dbraw/zinc/90/93/73/1127909373.db2.gz GLVYJBQCVINQJX-UHFFFAOYSA-N 1 2 266.348 3.558 20 30 CHEDLO CCCc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000271754358 1128053028 /nfs/dbraw/zinc/05/30/28/1128053028.db2.gz GOQBEJAJNHMGBK-UHFFFAOYSA-N 1 2 297.427 3.746 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(C)cc1)c1cccc(C#N)c1O ZINC000924549087 1128104787 /nfs/dbraw/zinc/10/47/87/1128104787.db2.gz QGZWCUIEOWTPGZ-KRWDZBQOSA-N 1 2 280.371 3.813 20 30 CHEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000925927030 1128146470 /nfs/dbraw/zinc/14/64/70/1128146470.db2.gz WZPFSNIXFVIVQR-OAHLLOKOSA-N 1 2 293.370 3.511 20 30 CHEDLO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000926408454 1128170846 /nfs/dbraw/zinc/17/08/46/1128170846.db2.gz KNVVIQBZLPPNLY-GFCCVEGCSA-N 1 2 298.308 3.647 20 30 CHEDLO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C#N)c1O ZINC000926427369 1128172028 /nfs/dbraw/zinc/17/20/28/1128172028.db2.gz ZCTBKDNGJCSRHR-HNNXBMFYSA-N 1 2 285.391 3.635 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc(C#N)c1O ZINC000926674846 1128187337 /nfs/dbraw/zinc/18/73/37/1128187337.db2.gz FIXJKVZKLUVFCI-CZUORRHYSA-N 1 2 295.386 3.503 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccco1 ZINC000927108787 1128218227 /nfs/dbraw/zinc/21/82/27/1128218227.db2.gz QRAYVYSMIOJRMG-OAHLLOKOSA-N 1 2 285.391 3.688 20 30 CHEDLO C=C(Cl)COc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000914685732 1128230433 /nfs/dbraw/zinc/23/04/33/1128230433.db2.gz PGGZJCNBIAFWFB-UHFFFAOYSA-N 1 2 263.724 3.683 20 30 CHEDLO C=CC[N@@H+](Cc1c(C)noc1CC)Cc1cccc(C#N)c1 ZINC000929364264 1128271165 /nfs/dbraw/zinc/27/11/65/1128271165.db2.gz OCQLRJVQCNZVJL-UHFFFAOYSA-N 1 2 295.386 3.605 20 30 CHEDLO C=CC[N@H+](Cc1c(C)noc1CC)Cc1cccc(C#N)c1 ZINC000929364264 1128271167 /nfs/dbraw/zinc/27/11/67/1128271167.db2.gz OCQLRJVQCNZVJL-UHFFFAOYSA-N 1 2 295.386 3.605 20 30 CHEDLO C=C(C)C[N@H+](C)Cn1ccn(Cc2ccccc2)c1=S ZINC000777959393 1128349204 /nfs/dbraw/zinc/34/92/04/1128349204.db2.gz HWVHQLDTEAOVDL-UHFFFAOYSA-N 1 2 287.432 3.533 20 30 CHEDLO C=C(C)C[N@@H+](C)Cn1ccn(Cc2ccccc2)c1=S ZINC000777959393 1128349209 /nfs/dbraw/zinc/34/92/09/1128349209.db2.gz HWVHQLDTEAOVDL-UHFFFAOYSA-N 1 2 287.432 3.533 20 30 CHEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932150826 1128397132 /nfs/dbraw/zinc/39/71/32/1128397132.db2.gz TXPDWORELRGZFC-OAHLLOKOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932150826 1128397134 /nfs/dbraw/zinc/39/71/34/1128397134.db2.gz TXPDWORELRGZFC-OAHLLOKOSA-N 1 2 272.392 3.599 20 30 CHEDLO N#Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000915961301 1128400477 /nfs/dbraw/zinc/40/04/77/1128400477.db2.gz FFRCDLKSKBLOCE-UHFFFAOYSA-N 1 2 294.358 3.588 20 30 CHEDLO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774250 1128442629 /nfs/dbraw/zinc/44/26/29/1128442629.db2.gz YZSRWZXCPDSAGX-LLVKDONJSA-N 1 2 297.383 3.954 20 30 CHEDLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774250 1128442630 /nfs/dbraw/zinc/44/26/30/1128442630.db2.gz YZSRWZXCPDSAGX-LLVKDONJSA-N 1 2 297.383 3.954 20 30 CHEDLO Cc1[nH]c[nH+]c1CN=Nc1nc2cc(Cl)ccc2cc1C ZINC000778554606 1128552358 /nfs/dbraw/zinc/55/23/58/1128552358.db2.gz ZBALIYRGHDLJED-UHFFFAOYSA-N 1 2 299.765 3.674 20 30 CHEDLO CCCCCCC[C@@H](C)[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001258044243 1128686251 /nfs/dbraw/zinc/68/62/51/1128686251.db2.gz KLJZXUBJNHKEFN-ZIAGYGMSSA-N 1 2 277.399 3.685 20 30 CHEDLO CCCCCCC[C@@H](C)[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001258044243 1128686253 /nfs/dbraw/zinc/68/62/53/1128686253.db2.gz KLJZXUBJNHKEFN-ZIAGYGMSSA-N 1 2 277.399 3.685 20 30 CHEDLO CCN(CC/[NH+]=C\c1ccccc1O)c1cccc(C)c1 ZINC000920944304 1128696037 /nfs/dbraw/zinc/69/60/37/1128696037.db2.gz AQIZJXCDFKLAAU-RGEXLXHISA-N 1 2 282.387 3.646 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCCSc1ccccc1 ZINC000920944917 1128696050 /nfs/dbraw/zinc/69/60/50/1128696050.db2.gz VRXFLNSUSHMCGF-LGMDPLHJSA-N 1 2 271.385 3.994 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCc2ccc(C)cc2C)c1 ZINC000920864473 1128692655 /nfs/dbraw/zinc/69/26/55/1128692655.db2.gz WSZMYZYTEHSRCI-XDHOZWIPSA-N 1 2 283.371 3.679 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CC=CCC2)c1 ZINC000920990969 1128696720 /nfs/dbraw/zinc/69/67/20/1128696720.db2.gz LXDWHCSXIZUZJR-LVLBFHFTSA-N 1 2 259.349 3.566 20 30 CHEDLO Cc1cnc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)s1 ZINC000348511916 1117749440 /nfs/dbraw/zinc/74/94/40/1117749440.db2.gz HCEWKCJEHLJHJL-LBPRGKRZSA-N 1 2 290.819 3.807 20 30 CHEDLO C[N@H+](Cc1ccc(CC#N)cc1)Cc1c(F)cccc1F ZINC000339602485 1117904444 /nfs/dbraw/zinc/90/44/44/1117904444.db2.gz XPUIUSMSJJLIKI-UHFFFAOYSA-N 1 2 286.325 3.663 20 30 CHEDLO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1c(F)cccc1F ZINC000339602485 1117904448 /nfs/dbraw/zinc/90/44/48/1117904448.db2.gz XPUIUSMSJJLIKI-UHFFFAOYSA-N 1 2 286.325 3.663 20 30 CHEDLO COc1cc(C#N)ccc1Nc1cccc2cc[nH+]cc21 ZINC001209411428 1118040598 /nfs/dbraw/zinc/04/05/98/1118040598.db2.gz OKYYTXYUZJXFQG-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209442959 1118062472 /nfs/dbraw/zinc/06/24/72/1118062472.db2.gz JBSCWNZSSSCNQG-OAHLLOKOSA-N 1 2 269.404 3.906 20 30 CHEDLO C=CCCCCCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209442959 1118062477 /nfs/dbraw/zinc/06/24/77/1118062477.db2.gz JBSCWNZSSSCNQG-OAHLLOKOSA-N 1 2 269.404 3.906 20 30 CHEDLO COc1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001238795729 1118084198 /nfs/dbraw/zinc/08/41/98/1118084198.db2.gz VENLFXQGAILQBN-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001238795729 1118084200 /nfs/dbraw/zinc/08/42/00/1118084200.db2.gz VENLFXQGAILQBN-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000375608439 1118089352 /nfs/dbraw/zinc/08/93/52/1118089352.db2.gz YEEFAXTZASKDBM-KRWDZBQOSA-N 1 2 296.374 3.572 20 30 CHEDLO CNc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c[nH+]1 ZINC001203456465 1118138226 /nfs/dbraw/zinc/13/82/26/1118138226.db2.gz FCKFWYLDIMRMKK-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO C=CCCC[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000765516403 1118161125 /nfs/dbraw/zinc/16/11/25/1118161125.db2.gz SCEAPVYWTTYUCJ-HOCLYGCPSA-N 1 2 275.392 3.577 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1Cl ZINC000049800734 1118227598 /nfs/dbraw/zinc/22/75/98/1118227598.db2.gz BMJHSZZOJAZHQF-UHFFFAOYSA-N 1 2 250.773 3.712 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1Cl ZINC000049800734 1118227601 /nfs/dbraw/zinc/22/76/01/1118227601.db2.gz BMJHSZZOJAZHQF-UHFFFAOYSA-N 1 2 250.773 3.712 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(C)cc2C#N)[nH+]1 ZINC001210565497 1118327568 /nfs/dbraw/zinc/32/75/68/1118327568.db2.gz OKDDLWDKDRJAAC-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO N#Cc1ccccc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001210738730 1118371359 /nfs/dbraw/zinc/37/13/59/1118371359.db2.gz FJOBZVCGDJZWSF-UHFFFAOYSA-N 1 2 274.327 3.547 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1cc(C)[nH+]c(OC)c1 ZINC001210780111 1118385179 /nfs/dbraw/zinc/38/51/79/1118385179.db2.gz GXADSCQRAGTILT-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)c(C)s1 ZINC000255192677 1118418194 /nfs/dbraw/zinc/41/81/94/1118418194.db2.gz ZGJIMTWDGGKQAY-SREVYHEPSA-N 1 2 282.368 3.909 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc(F)cc(F)c1 ZINC000255396249 1118765657 /nfs/dbraw/zinc/76/56/57/1118765657.db2.gz DNMLMLOHYKDULQ-PLNGDYQASA-N 1 2 284.265 3.509 20 30 CHEDLO CCCCCCCCCCNc1[nH+]cnc2c1cnn2C ZINC000129426969 1118820349 /nfs/dbraw/zinc/82/03/49/1118820349.db2.gz ARWKUNRXRNFJLJ-UHFFFAOYSA-N 1 2 289.427 3.916 20 30 CHEDLO CC[N@@H+](Cc1cccn1CCC(C)C)C[C@@H](C)C#N ZINC000091984323 1118820598 /nfs/dbraw/zinc/82/05/98/1118820598.db2.gz ZUDUZYQKKZNTHU-HNNXBMFYSA-N 1 2 261.413 3.516 20 30 CHEDLO CC[N@H+](Cc1cccn1CCC(C)C)C[C@@H](C)C#N ZINC000091984323 1118820604 /nfs/dbraw/zinc/82/06/04/1118820604.db2.gz ZUDUZYQKKZNTHU-HNNXBMFYSA-N 1 2 261.413 3.516 20 30 CHEDLO CC[N@@H+](Cc1ccccc1OC1CCCC1)C[C@H](C)C#N ZINC000091982504 1118838576 /nfs/dbraw/zinc/83/85/76/1118838576.db2.gz ISZYHGFNIVTABW-OAHLLOKOSA-N 1 2 286.419 3.990 20 30 CHEDLO CC[N@H+](Cc1ccccc1OC1CCCC1)C[C@H](C)C#N ZINC000091982504 1118838581 /nfs/dbraw/zinc/83/85/81/1118838581.db2.gz ISZYHGFNIVTABW-OAHLLOKOSA-N 1 2 286.419 3.990 20 30 CHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892202058 1119022291 /nfs/dbraw/zinc/02/22/91/1119022291.db2.gz PCQMXLWBTJWGBR-IRXDYDNUSA-N 1 2 296.370 3.560 20 30 CHEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892202058 1119022295 /nfs/dbraw/zinc/02/22/95/1119022295.db2.gz PCQMXLWBTJWGBR-IRXDYDNUSA-N 1 2 296.370 3.560 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464559 1119079202 /nfs/dbraw/zinc/07/92/02/1119079202.db2.gz JNPOBMDBUXVQBJ-QWHCGFSZSA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464559 1119079204 /nfs/dbraw/zinc/07/92/04/1119079204.db2.gz JNPOBMDBUXVQBJ-QWHCGFSZSA-N 1 2 292.810 3.626 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cnc(C)o1)c1ccc(F)c(F)c1 ZINC000628240696 1128833584 /nfs/dbraw/zinc/83/35/84/1128833584.db2.gz PJITVCMMXVRDRA-HNNXBMFYSA-N 1 2 278.302 3.668 20 30 CHEDLO C#Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1F ZINC001213090167 1119393991 /nfs/dbraw/zinc/39/39/91/1119393991.db2.gz XHCGUOFVVANLHJ-UHFFFAOYSA-N 1 2 277.302 3.941 20 30 CHEDLO N#Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc(F)c1F ZINC001213090743 1119417238 /nfs/dbraw/zinc/41/72/38/1119417238.db2.gz DMTLMQIISUXZGM-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000343525292 1119442072 /nfs/dbraw/zinc/44/20/72/1119442072.db2.gz OOTZUZOLOMXGTF-OAHLLOKOSA-N 1 2 297.402 3.655 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(F)cc(F)c1 ZINC000755893549 1119872110 /nfs/dbraw/zinc/87/21/10/1119872110.db2.gz NJLFOOAYRKTRFZ-UHFFFAOYSA-N 1 2 297.308 3.771 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1csnn1 ZINC000414304427 1119973146 /nfs/dbraw/zinc/97/31/46/1119973146.db2.gz OSSTVYRJAGKJJL-IAQYHMDHSA-N 1 2 298.415 3.528 20 30 CHEDLO CC[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc(C#N)c1O ZINC000926789754 1120028688 /nfs/dbraw/zinc/02/86/88/1120028688.db2.gz JOAQFNYZFYRLDA-UKRRQHHQSA-N 1 2 290.432 3.590 20 30 CHEDLO C[C@H](Nc1[nH+]cccc1-n1cccc1)c1cccc(C#N)c1 ZINC001167707376 1120040258 /nfs/dbraw/zinc/04/02/58/1120040258.db2.gz SGVLAYLFMBAPRF-AWEZNQCLSA-N 1 2 288.354 3.917 20 30 CHEDLO Cc1csc(C2([NH2+]Cc3csc(C#N)c3)CCC2)n1 ZINC000921647294 1120043924 /nfs/dbraw/zinc/04/39/24/1120043924.db2.gz ZSBUNDVUJNUYOO-UHFFFAOYSA-N 1 2 289.429 3.554 20 30 CHEDLO CC[C@](C)(C#N)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921652835 1120054852 /nfs/dbraw/zinc/05/48/52/1120054852.db2.gz CEUFUAVBERPMBC-QGZVFWFLSA-N 1 2 296.374 3.572 20 30 CHEDLO C[C@H](Nc1ccc2[nH+]cn(C)c2c1)c1cccc(C#N)c1 ZINC001167710063 1120063474 /nfs/dbraw/zinc/06/34/74/1120063474.db2.gz KNNAXBCOLSGTQQ-LBPRGKRZSA-N 1 2 276.343 3.618 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1Br)C1CC1 ZINC000073653275 1120181169 /nfs/dbraw/zinc/18/11/69/1120181169.db2.gz YKYBJCWSBNOENC-UHFFFAOYSA-N 1 2 266.182 3.600 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1Br)C1CC1 ZINC000073653275 1120181172 /nfs/dbraw/zinc/18/11/72/1120181172.db2.gz YKYBJCWSBNOENC-UHFFFAOYSA-N 1 2 266.182 3.600 20 30 CHEDLO CC(C)Cc1cccc(C(=O)/C=C\c2c[nH+]cn2C)c1 ZINC000901507022 1128896664 /nfs/dbraw/zinc/89/66/64/1128896664.db2.gz SEWDUJMSYBDQAH-FPLPWBNLSA-N 1 2 268.360 3.515 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccccc2Br)CCCC1 ZINC000405212648 1120190406 /nfs/dbraw/zinc/19/04/06/1120190406.db2.gz DUCSYFIZFGRSEX-UHFFFAOYSA-N 1 2 293.208 3.623 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[C@H]1C#N ZINC000250225488 1120203159 /nfs/dbraw/zinc/20/31/59/1120203159.db2.gz JNRHWOSOGQALOE-GXSJLCMTSA-N 1 2 254.786 3.526 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[C@H]1C#N ZINC000250225488 1120203161 /nfs/dbraw/zinc/20/31/61/1120203161.db2.gz JNRHWOSOGQALOE-GXSJLCMTSA-N 1 2 254.786 3.526 20 30 CHEDLO CC[C@H](C)c1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901542457 1128940596 /nfs/dbraw/zinc/94/05/96/1128940596.db2.gz DYNJKXCRQDYFDV-XPSMFNQNSA-N 1 2 268.360 3.830 20 30 CHEDLO C=C(C)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662102510 1120876424 /nfs/dbraw/zinc/87/64/24/1120876424.db2.gz WRIPJPJUJFUFSS-CYBMUJFWSA-N 1 2 266.182 3.772 20 30 CHEDLO C=C(C)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662102510 1120876426 /nfs/dbraw/zinc/87/64/26/1120876426.db2.gz WRIPJPJUJFUFSS-CYBMUJFWSA-N 1 2 266.182 3.772 20 30 CHEDLO C=CCC(C)(C)C[NH2+]Cc1cccc(Cl)c1O ZINC000310156133 1120990100 /nfs/dbraw/zinc/99/01/00/1120990100.db2.gz KJMNGMXLQVTNAC-UHFFFAOYSA-N 1 2 253.773 3.738 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC001174883135 1121057324 /nfs/dbraw/zinc/05/73/24/1121057324.db2.gz PACIZIBFFVEFIV-AWEZNQCLSA-N 1 2 264.417 3.692 20 30 CHEDLO CCCCCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC001174883135 1121057332 /nfs/dbraw/zinc/05/73/32/1121057332.db2.gz PACIZIBFFVEFIV-AWEZNQCLSA-N 1 2 264.417 3.692 20 30 CHEDLO Cc1nc2ccccc2nc1C[N@H+](CCC#N)CC(C)(C)C ZINC000172164799 1121141798 /nfs/dbraw/zinc/14/17/98/1121141798.db2.gz OAUUUWBWALLACG-UHFFFAOYSA-N 1 2 296.418 3.700 20 30 CHEDLO Cc1nc2ccccc2nc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000172164799 1121141800 /nfs/dbraw/zinc/14/18/00/1121141800.db2.gz OAUUUWBWALLACG-UHFFFAOYSA-N 1 2 296.418 3.700 20 30 CHEDLO N#Cc1cc(F)cc(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001175685589 1121432672 /nfs/dbraw/zinc/43/26/72/1121432672.db2.gz WNHCMIZUCNBAGY-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO C[C@@H](CCC#N)[N@H+](C)Cc1cscc1Br ZINC000709981346 1121472982 /nfs/dbraw/zinc/47/29/82/1121472982.db2.gz DMRGRLWLWXFZNE-VIFPVBQESA-N 1 2 287.226 3.635 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1cscc1Br ZINC000709981346 1121472988 /nfs/dbraw/zinc/47/29/88/1121472988.db2.gz DMRGRLWLWXFZNE-VIFPVBQESA-N 1 2 287.226 3.635 20 30 CHEDLO C#Cc1cc(Nc2ccc(OC(C)C)c(Cl)c2)cc[nH+]1 ZINC001175868834 1121486685 /nfs/dbraw/zinc/48/66/85/1121486685.db2.gz HGEUDUJKVWSHKU-UHFFFAOYSA-N 1 2 286.762 3.669 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C#N)cc1C(F)(F)F ZINC001176120588 1121556056 /nfs/dbraw/zinc/55/60/56/1121556056.db2.gz GMFDWYCPEJNICS-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO C#Cc1cc(Nc2cc(Cl)c(OC)c(Cl)c2)cc[nH+]1 ZINC001176306934 1121606125 /nfs/dbraw/zinc/60/61/25/1121606125.db2.gz AVWYQLNIFJXVBC-UHFFFAOYSA-N 1 2 293.153 3.544 20 30 CHEDLO N#Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1F ZINC001176613203 1121661003 /nfs/dbraw/zinc/66/10/03/1121661003.db2.gz SFLGSRQSUBAVHW-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO Clc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000253677576 1121676631 /nfs/dbraw/zinc/67/66/31/1121676631.db2.gz AHTBHFHBLSJBPS-UHFFFAOYSA-N 1 2 281.746 3.756 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000397672577 1121691839 /nfs/dbraw/zinc/69/18/39/1121691839.db2.gz GBLYNKLSKAXBJT-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000397672577 1121691842 /nfs/dbraw/zinc/69/18/42/1121691842.db2.gz GBLYNKLSKAXBJT-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(OC)c1F ZINC000619725120 1129008486 /nfs/dbraw/zinc/00/84/86/1129008486.db2.gz WYDWLLLFUYUPFC-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(OC)c1F ZINC000619725120 1129008490 /nfs/dbraw/zinc/00/84/90/1129008490.db2.gz WYDWLLLFUYUPFC-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO N#Cc1c(Nc2ccn3cc[nH+]c3c2)sc2c1CCCC2 ZINC001204951251 1121778866 /nfs/dbraw/zinc/77/88/66/1121778866.db2.gz PQCKXAPLSVHDDZ-UHFFFAOYSA-N 1 2 294.383 3.890 20 30 CHEDLO CCOc1ccc(C#N)cc1NCc1cc(C)[nH+]c(C)c1 ZINC001178901294 1121829032 /nfs/dbraw/zinc/82/90/32/1121829032.db2.gz OLDNQCXLAIGTAS-UHFFFAOYSA-N 1 2 281.359 3.581 20 30 CHEDLO CCOc1ccc(/C=[NH+]/C[C@H]2CCc3ccccc32)c(O)c1 ZINC000731937648 1121897464 /nfs/dbraw/zinc/89/74/64/1121897464.db2.gz LSFYSZIUKCBOCN-OOWUWCJESA-N 1 2 295.382 3.940 20 30 CHEDLO C=CC[C@@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000664256832 1122030876 /nfs/dbraw/zinc/03/08/76/1122030876.db2.gz RRTUJVHVZUPGHI-CYBMUJFWSA-N 1 2 267.376 3.610 20 30 CHEDLO CCCCCCC[C@@H](C)C(=O)NCCOc1cc[nH+]cc1 ZINC001181135477 1122040410 /nfs/dbraw/zinc/04/04/10/1122040410.db2.gz YDHOTQVTQCIGEQ-OAHLLOKOSA-N 1 2 292.423 3.573 20 30 CHEDLO CC(C)(C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000183497650 1122069554 /nfs/dbraw/zinc/06/95/54/1122069554.db2.gz HICAAMPMSAOYIW-UHFFFAOYSA-N 1 2 282.387 3.973 20 30 CHEDLO CC(C)(C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000183497650 1122069560 /nfs/dbraw/zinc/06/95/60/1122069560.db2.gz HICAAMPMSAOYIW-UHFFFAOYSA-N 1 2 282.387 3.973 20 30 CHEDLO COc1cccc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774364293 1122157264 /nfs/dbraw/zinc/15/72/64/1122157264.db2.gz OTFNZWDXRJUMGH-UHFFFAOYSA-N 1 2 281.359 3.717 20 30 CHEDLO CSCc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC001182594616 1122178389 /nfs/dbraw/zinc/17/83/89/1122178389.db2.gz KATHUCNAODSUAO-UHFFFAOYSA-N 1 2 294.423 3.937 20 30 CHEDLO CSCc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC001182594616 1122178390 /nfs/dbraw/zinc/17/83/90/1122178390.db2.gz KATHUCNAODSUAO-UHFFFAOYSA-N 1 2 294.423 3.937 20 30 CHEDLO CO[C@@H]1CCC[C@@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000774543533 1122189445 /nfs/dbraw/zinc/18/94/45/1122189445.db2.gz XDKHMWANOCOLBN-QCIGAMRASA-N 1 2 283.371 3.779 20 30 CHEDLO C=CCC[C@@H](CC)[NH2+]Cc1cccc(Br)c1O ZINC000775146774 1122445345 /nfs/dbraw/zinc/44/53/45/1122445345.db2.gz QKSQOBDIRZTRHI-GFCCVEGCSA-N 1 2 298.224 3.989 20 30 CHEDLO CCNc1ccc(Nc2ncc(C#N)c3ccsc32)c[nH+]1 ZINC001187921159 1122447491 /nfs/dbraw/zinc/44/74/91/1122447491.db2.gz OXVDJRKCIXZUEV-UHFFFAOYSA-N 1 2 295.371 3.738 20 30 CHEDLO CC[C@@H](C/[NH+]=C/c1cccc(O)c1O)c1ccccc1 ZINC000017309550 1122741727 /nfs/dbraw/zinc/74/17/27/1122741727.db2.gz LOJBKFOQSZHVGC-HTMJNSLASA-N 1 2 269.344 3.711 20 30 CHEDLO CC(C)[C@@H](O)C1(C/[NH+]=C\c2c(O)ccc3ccccc32)CC1 ZINC000775628892 1122828761 /nfs/dbraw/zinc/82/87/61/1122828761.db2.gz BCTMHCTXFKPSHY-HDOAHBKWSA-N 1 2 297.398 3.761 20 30 CHEDLO C#C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(F)cc1 ZINC000894574669 1122875417 /nfs/dbraw/zinc/87/54/17/1122875417.db2.gz KCNSDOSHSKHFCL-SFHVURJKSA-N 1 2 294.373 3.564 20 30 CHEDLO CC(C)c1cnc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000183737338 1129090555 /nfs/dbraw/zinc/09/05/55/1129090555.db2.gz IIICFBSSEFBLQJ-UHFFFAOYSA-N 1 2 289.379 3.567 20 30 CHEDLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000440788337 1123040915 /nfs/dbraw/zinc/04/09/15/1123040915.db2.gz VPSGOPKMAUUVFO-HRCADAONSA-N 1 2 260.356 3.506 20 30 CHEDLO CC[C@H](F)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000440788337 1123040919 /nfs/dbraw/zinc/04/09/19/1123040919.db2.gz VPSGOPKMAUUVFO-HRCADAONSA-N 1 2 260.356 3.506 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000046438278 1123088641 /nfs/dbraw/zinc/08/86/41/1123088641.db2.gz AJUJJTYSIUBGAV-UHFFFAOYSA-N 1 2 286.419 3.731 20 30 CHEDLO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201485492 1123106966 /nfs/dbraw/zinc/10/69/66/1123106966.db2.gz HXPSUDMJGSMFLS-DZGCQCFKSA-N 1 2 279.449 3.643 20 30 CHEDLO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201485492 1123106969 /nfs/dbraw/zinc/10/69/69/1123106969.db2.gz HXPSUDMJGSMFLS-DZGCQCFKSA-N 1 2 279.449 3.643 20 30 CHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)c(F)c1 ZINC001201555789 1123119839 /nfs/dbraw/zinc/11/98/39/1123119839.db2.gz MUYYDXHUSYMBFJ-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc2ccccc2n1C(F)F ZINC000051766915 1123123284 /nfs/dbraw/zinc/12/32/84/1123123284.db2.gz RLYHRRHKSKKAGD-UHFFFAOYSA-N 1 2 277.318 3.605 20 30 CHEDLO C=CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000850502055 1123274831 /nfs/dbraw/zinc/27/48/31/1123274831.db2.gz JEIAZBLTVLKKNK-MRVPVSSYSA-N 1 2 288.160 3.521 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000428228622 1123280747 /nfs/dbraw/zinc/28/07/47/1123280747.db2.gz MJZCUZIEQZPCEH-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000428228622 1123280750 /nfs/dbraw/zinc/28/07/50/1123280750.db2.gz MJZCUZIEQZPCEH-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000032514663 1123285782 /nfs/dbraw/zinc/28/57/82/1123285782.db2.gz YZHPCCIRTVPVGH-MRXNPFEDSA-N 1 2 289.382 3.809 20 30 CHEDLO CC1(C)OCC[C@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000852998734 1123417878 /nfs/dbraw/zinc/41/78/78/1123417878.db2.gz QRVLYOUTGGINDY-BXUJETTOSA-N 1 2 283.371 3.779 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(F)cc1N(C)C ZINC000759200740 1123440249 /nfs/dbraw/zinc/44/02/49/1123440249.db2.gz APCTYORSYLDWHS-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCC1(F)F ZINC000853662857 1123446136 /nfs/dbraw/zinc/44/61/36/1123446136.db2.gz UVMZJNFMQSKOHC-ZDUSSCGKSA-N 1 2 294.345 3.721 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000896501371 1123590698 /nfs/dbraw/zinc/59/06/98/1123590698.db2.gz RCIYUWLIQSIUAL-AWEZNQCLSA-N 1 2 282.309 3.527 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000896501371 1123590701 /nfs/dbraw/zinc/59/07/01/1123590701.db2.gz RCIYUWLIQSIUAL-AWEZNQCLSA-N 1 2 282.309 3.527 20 30 CHEDLO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896504085 1123591357 /nfs/dbraw/zinc/59/13/57/1123591357.db2.gz BFPWYIALTCACCY-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896504085 1123591360 /nfs/dbraw/zinc/59/13/60/1123591360.db2.gz BFPWYIALTCACCY-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)o1 ZINC000083982106 1129152408 /nfs/dbraw/zinc/15/24/08/1129152408.db2.gz CQZGBPPJUOBUNO-SOFGYWHQSA-N 1 2 280.327 3.694 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1cccc(F)c1C#N ZINC000864004539 1123908472 /nfs/dbraw/zinc/90/84/72/1123908472.db2.gz QZAXSPNPQFFYJA-UHFFFAOYSA-N 1 2 283.350 3.684 20 30 CHEDLO CC(C)c1cnc(CNc2[nH]c3ccc(C#N)cc3[nH+]2)s1 ZINC000865296519 1123970819 /nfs/dbraw/zinc/97/08/19/1123970819.db2.gz YNOHSHRRFSWAGQ-UHFFFAOYSA-N 1 2 297.387 3.627 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(C#N)c1O ZINC000866221703 1124038725 /nfs/dbraw/zinc/03/87/25/1124038725.db2.gz UIRXEBVNBXSFBG-YVEFUNNKSA-N 1 2 278.355 3.602 20 30 CHEDLO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866239731 1124040490 /nfs/dbraw/zinc/04/04/90/1124040490.db2.gz XIGXGTHEVSVBCK-VXGBXAGGSA-N 1 2 286.400 3.607 20 30 CHEDLO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866249415 1124041984 /nfs/dbraw/zinc/04/19/84/1124041984.db2.gz JZGWQJZBOYLBBO-QWHCGFSZSA-N 1 2 296.370 3.684 20 30 CHEDLO CC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)c1cccc(C#N)c1O ZINC000925158806 1124056752 /nfs/dbraw/zinc/05/67/52/1124056752.db2.gz SLYOLCRBWIKANC-YDHLFZDLSA-N 1 2 290.432 3.589 20 30 CHEDLO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1cccc(C#N)c1O ZINC000866364495 1124057781 /nfs/dbraw/zinc/05/77/81/1124057781.db2.gz CELRRMKNRFIEET-WCQYABFASA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1cccc(C#N)c1O ZINC000866545813 1124081380 /nfs/dbraw/zinc/08/13/80/1124081380.db2.gz JSGUYPJVXNVOGW-SNVBAGLBSA-N 1 2 282.334 3.596 20 30 CHEDLO CCc1cc(C[N@@H+]2CCC[C@H]2c2nccs2)ccc1C#N ZINC001238779923 1131246320 /nfs/dbraw/zinc/24/63/20/1131246320.db2.gz YYENEKXQALQWLT-INIZCTEOSA-N 1 2 297.427 3.914 20 30 CHEDLO CCc1cc(C[N@H+]2CCC[C@H]2c2nccs2)ccc1C#N ZINC001238779923 1131246324 /nfs/dbraw/zinc/24/63/24/1131246324.db2.gz YYENEKXQALQWLT-INIZCTEOSA-N 1 2 297.427 3.914 20 30 CHEDLO C=CCCC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001119599983 1131258492 /nfs/dbraw/zinc/25/84/92/1131258492.db2.gz CFTQAPHRBKSXPP-RDJZCZTQSA-N 1 2 297.402 3.658 20 30 CHEDLO CN(C)c1cc[nH+]c(-c2ccc(C(F)(F)F)cc2C#N)c1 ZINC001238838606 1131254543 /nfs/dbraw/zinc/25/45/43/1131254543.db2.gz UXAZRFIXFJBZSK-UHFFFAOYSA-N 1 2 291.276 3.705 20 30 CHEDLO C=CCCC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001119599984 1131259217 /nfs/dbraw/zinc/25/92/17/1131259217.db2.gz CFTQAPHRBKSXPP-WBVHZDCISA-N 1 2 297.402 3.658 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(O)c1F ZINC000872089276 1124680390 /nfs/dbraw/zinc/68/03/90/1124680390.db2.gz WELBZEQZIOQSGI-LBPRGKRZSA-N 1 2 276.355 3.656 20 30 CHEDLO CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874128409 1124820183 /nfs/dbraw/zinc/82/01/83/1124820183.db2.gz PUUNSBQIMUSWOF-RRFJBIMHSA-N 1 2 291.439 3.626 20 30 CHEDLO CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874128409 1124820188 /nfs/dbraw/zinc/82/01/88/1124820188.db2.gz PUUNSBQIMUSWOF-RRFJBIMHSA-N 1 2 291.439 3.626 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000125211482 1124870669 /nfs/dbraw/zinc/87/06/69/1124870669.db2.gz BVUGAMGCZOQQOQ-MDZDMXLPSA-N 1 2 276.339 3.847 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(C#N)c1O ZINC000925224611 1124907320 /nfs/dbraw/zinc/90/73/20/1124907320.db2.gz JHVFRCXSJPJVCW-DYVFJYSZSA-N 1 2 295.386 3.503 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cnc2Cl)cc1 ZINC000876534447 1124958873 /nfs/dbraw/zinc/95/88/73/1124958873.db2.gz BNZKDFJCHIMKOD-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cnc2Cl)cc1 ZINC000876534447 1124958879 /nfs/dbraw/zinc/95/88/79/1124958879.db2.gz BNZKDFJCHIMKOD-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO CC(=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000450430361 1125022479 /nfs/dbraw/zinc/02/24/79/1125022479.db2.gz RFYRVSHXHWZAGB-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO CC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000450430361 1125022487 /nfs/dbraw/zinc/02/24/87/1125022487.db2.gz RFYRVSHXHWZAGB-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO CC(C)c1cc(N[C@H]2CC[C@@H](CC#N)C2)nc(C(C)C)[nH+]1 ZINC000450677648 1125088482 /nfs/dbraw/zinc/08/84/82/1125088482.db2.gz ZGUFVFHUOWKJKJ-KBPBESRZSA-N 1 2 286.423 3.640 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000877957630 1125105418 /nfs/dbraw/zinc/10/54/18/1125105418.db2.gz DEVAFHUJPKVFPA-CYBMUJFWSA-N 1 2 292.810 3.649 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000122127791 1125175817 /nfs/dbraw/zinc/17/58/17/1125175817.db2.gz LUJXMVLPMRTLPU-UHFFFAOYSA-N 1 2 290.382 3.660 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000122127791 1125175821 /nfs/dbraw/zinc/17/58/21/1125175821.db2.gz LUJXMVLPMRTLPU-UHFFFAOYSA-N 1 2 290.382 3.660 20 30 CHEDLO CC(C)(C#N)CCCOc1ccccc1-n1cc[nH+]c1 ZINC000532159931 1125236890 /nfs/dbraw/zinc/23/68/90/1125236890.db2.gz AOUHLRWYPCTEEI-UHFFFAOYSA-N 1 2 269.348 3.581 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1nc(CC)no1)c1ccccc1 ZINC000880388556 1125271090 /nfs/dbraw/zinc/27/10/90/1125271090.db2.gz MBQFCEDKHUYFIL-OAHLLOKOSA-N 1 2 285.391 3.819 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1nnc(CC)o1)c1ccccc1 ZINC000880387488 1125271400 /nfs/dbraw/zinc/27/14/00/1125271400.db2.gz AQPVQAAPORZWGV-OAHLLOKOSA-N 1 2 285.391 3.819 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccccc1C#N ZINC000016420986 1125364728 /nfs/dbraw/zinc/36/47/28/1125364728.db2.gz ACMZNFHGTYQAGO-GFCCVEGCSA-N 1 2 268.385 3.739 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1C#N ZINC000016420986 1125364730 /nfs/dbraw/zinc/36/47/30/1125364730.db2.gz ACMZNFHGTYQAGO-GFCCVEGCSA-N 1 2 268.385 3.739 20 30 CHEDLO CCC(CC)n1ccc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000269740926 1125377040 /nfs/dbraw/zinc/37/70/40/1125377040.db2.gz YZKIRRZVHOTYEI-UHFFFAOYSA-N 1 2 296.418 3.748 20 30 CHEDLO CCC(CC)n1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000269740926 1125377045 /nfs/dbraw/zinc/37/70/45/1125377045.db2.gz YZKIRRZVHOTYEI-UHFFFAOYSA-N 1 2 296.418 3.748 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(C#N)c1O ZINC000883259989 1125387414 /nfs/dbraw/zinc/38/74/14/1125387414.db2.gz GTFSJHMDHBUNAB-SNVBAGLBSA-N 1 2 282.334 3.596 20 30 CHEDLO Cc1ccc2c(Nc3cccc(C#N)n3)cccc2[nH+]1 ZINC001212794894 1125414143 /nfs/dbraw/zinc/41/41/43/1125414143.db2.gz BVBYIOAUKBQSHY-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO C=CCOc1cccc(C[N@H+](C)Cc2csc(C)n2)c1 ZINC000125019716 1125443871 /nfs/dbraw/zinc/44/38/71/1125443871.db2.gz VQFHHCDHXPXRRI-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO C=CCOc1cccc(C[N@@H+](C)Cc2csc(C)n2)c1 ZINC000125019716 1125443874 /nfs/dbraw/zinc/44/38/74/1125443874.db2.gz VQFHHCDHXPXRRI-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO Cc1ccc2c(Nc3c(O)cccc3C#N)cccc2[nH+]1 ZINC001212797778 1125444320 /nfs/dbraw/zinc/44/43/20/1125444320.db2.gz JOJSFFIAZDKGJA-UHFFFAOYSA-N 1 2 275.311 3.864 20 30 CHEDLO C=C(Br)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000133319704 1125445423 /nfs/dbraw/zinc/44/54/23/1125445423.db2.gz RRCFVLPIDWUWJO-QMMMGPOBSA-N 1 2 276.124 3.524 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H](C)c2cccc(C)c2)c1O ZINC000741165942 1129430953 /nfs/dbraw/zinc/43/09/53/1129430953.db2.gz UBKKVYPXEUGLPN-VCRXTVNUSA-N 1 2 283.371 3.932 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H](C)c2cccc(C)c2)c1 ZINC000741165066 1129431053 /nfs/dbraw/zinc/43/10/53/1129431053.db2.gz FTZVGRHQEIOXFY-VCRXTVNUSA-N 1 2 283.371 3.932 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@H](C)c2ccc(C)cc2)c1O ZINC000737440914 1129447279 /nfs/dbraw/zinc/44/72/79/1129447279.db2.gz UDOFLHDJCKUQTF-YQNUULROSA-N 1 2 283.371 3.932 20 30 CHEDLO Cc1ccc([C@@H](C)C/[NH+]=C\c2ccccc2O)cc1 ZINC000737440554 1129447326 /nfs/dbraw/zinc/44/73/26/1129447326.db2.gz LWHBTTOFHREMLT-HIXWQLQUSA-N 1 2 253.345 3.923 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2cccc(F)c2F)cc1F ZINC000743443560 1129524290 /nfs/dbraw/zinc/52/42/90/1129524290.db2.gz ZIJWFSSJDPJKOV-UHFFFAOYSA-N 1 2 293.292 3.616 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCc1ccc2ccccc2n1 ZINC000743538863 1129530665 /nfs/dbraw/zinc/53/06/65/1129530665.db2.gz QTIDHQWSCLPGLP-UYRXBGFRSA-N 1 2 276.339 3.602 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000065448441 1129653850 /nfs/dbraw/zinc/65/38/50/1129653850.db2.gz VDKWOSGEIJKGMR-UHFFFAOYSA-N 1 2 284.359 3.524 20 30 CHEDLO C=CCc1cc(CNc2cc(C)c[nH+]c2C)cc(OC)c1O ZINC000650241778 1129702774 /nfs/dbraw/zinc/70/27/74/1129702774.db2.gz KUJCNIQVJCSLEA-UHFFFAOYSA-N 1 2 298.386 3.753 20 30 CHEDLO C[C@](C#N)(Nc1[nH+]ccc2c1CCN2)c1ccccc1Cl ZINC001169372398 1129721620 /nfs/dbraw/zinc/72/16/20/1129721620.db2.gz FJPXZMHCJYSDQC-MRXNPFEDSA-N 1 2 298.777 3.554 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1CCc2ccccc2[C@H]1O ZINC001169615321 1129743163 /nfs/dbraw/zinc/74/31/63/1129743163.db2.gz AIPWLNNPEGLOEU-ZWKOTPCHSA-N 1 2 294.398 3.579 20 30 CHEDLO Cc1c[nH+]cc(NC23CCC(C#N)(CC2)CC3)c1C ZINC001169750495 1129752304 /nfs/dbraw/zinc/75/23/04/1129752304.db2.gz CKRWHTZHSLHAHA-UHFFFAOYSA-N 1 2 255.365 3.727 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000768428229 1129856633 /nfs/dbraw/zinc/85/66/33/1129856633.db2.gz FNAWXXOTIIZTMT-KRWDZBQOSA-N 1 2 298.386 3.885 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000768428229 1129856639 /nfs/dbraw/zinc/85/66/39/1129856639.db2.gz FNAWXXOTIIZTMT-KRWDZBQOSA-N 1 2 298.386 3.885 20 30 CHEDLO COc1cccc(/C=[NH+]\CCCc2cccs2)c1O ZINC000769549774 1129917105 /nfs/dbraw/zinc/91/71/05/1129917105.db2.gz VVMKJAYUSHAUGD-WJDWOHSUSA-N 1 2 275.373 3.514 20 30 CHEDLO COc1cc(C)ccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000769607081 1129919136 /nfs/dbraw/zinc/91/91/36/1129919136.db2.gz HVELKSPSIDVBSI-VQHVLOKHSA-N 1 2 292.338 3.547 20 30 CHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C)CC2 ZINC000901488915 1129930313 /nfs/dbraw/zinc/93/03/13/1129930313.db2.gz KBYNEMMVVYPQJC-OVCLIPMQSA-N 1 2 280.371 3.756 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cs1 ZINC000901514363 1129932870 /nfs/dbraw/zinc/93/28/70/1129932870.db2.gz GFUQTLTWGLXGQD-PLNGDYQASA-N 1 2 260.362 3.730 20 30 CHEDLO Cc1cccc2c1C(=O)/C(=C\c1c[nH+]cn1C(C)C)C2 ZINC000901518639 1129933554 /nfs/dbraw/zinc/93/35/54/1129933554.db2.gz NBPVIUGMNWCTGC-ZSOIEALJSA-N 1 2 266.344 3.595 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000769978050 1129934222 /nfs/dbraw/zinc/93/42/22/1129934222.db2.gz ODZLIJYTJXPAFT-ZDUSSCGKSA-N 1 2 284.428 3.826 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000769978050 1129934224 /nfs/dbraw/zinc/93/42/24/1129934224.db2.gz ODZLIJYTJXPAFT-ZDUSSCGKSA-N 1 2 284.428 3.826 20 30 CHEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)CCO1 ZINC000770569171 1129951148 /nfs/dbraw/zinc/95/11/48/1129951148.db2.gz RGBKVTNSLIDZFN-SLIIDIDTSA-N 1 2 283.371 3.779 20 30 CHEDLO CCCCCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770922083 1129963606 /nfs/dbraw/zinc/96/36/06/1129963606.db2.gz JPUKZWHMZURCSY-UHFFFAOYSA-N 1 2 274.364 3.738 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1cc(C#N)ccn1 ZINC000902756444 1130052824 /nfs/dbraw/zinc/05/28/24/1130052824.db2.gz ZRZGKFMRNHRCBJ-TYNCELHUSA-N 1 2 281.359 3.520 20 30 CHEDLO Cc1cc(-c2cc[nH+]c(N3CCCC3)c2)ccc1C#N ZINC001242767087 1130027258 /nfs/dbraw/zinc/02/72/58/1130027258.db2.gz DRAJSTKSQRMNSG-UHFFFAOYSA-N 1 2 263.344 3.529 20 30 CHEDLO CC(=NNC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000786043215 1130076403 /nfs/dbraw/zinc/07/64/03/1130076403.db2.gz LARRLHPOIOLZHT-UHFFFAOYSA-N 1 2 282.391 3.519 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2ccccc2)o1 ZINC000903106963 1130113189 /nfs/dbraw/zinc/11/31/89/1130113189.db2.gz ZIJZJJRABYXATR-ZDUSSCGKSA-N 1 2 266.344 3.901 20 30 CHEDLO Cc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)C2CCC2)o1 ZINC000903262932 1130139319 /nfs/dbraw/zinc/13/93/19/1130139319.db2.gz JNBAGNPLNZYHIT-HNNXBMFYSA-N 1 2 287.388 3.547 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787311601 1130147061 /nfs/dbraw/zinc/14/70/61/1130147061.db2.gz WTYCDBIKLMRKRJ-GFCCVEGCSA-N 1 2 269.747 3.725 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787311601 1130147063 /nfs/dbraw/zinc/14/70/63/1130147063.db2.gz WTYCDBIKLMRKRJ-GFCCVEGCSA-N 1 2 269.747 3.725 20 30 CHEDLO N#Cc1c(F)cc(-c2ccccc2Cn2cc[nH+]c2)cc1F ZINC001239927739 1130154784 /nfs/dbraw/zinc/15/47/84/1130154784.db2.gz QLWHZBASLIGVKC-UHFFFAOYSA-N 1 2 295.292 3.748 20 30 CHEDLO C#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000787774591 1130163578 /nfs/dbraw/zinc/16/35/78/1130163578.db2.gz UOIRNZQAHQBZNF-UHFFFAOYSA-N 1 2 291.329 3.605 20 30 CHEDLO N#Cc1ccc(CNc2cc3cc(F)ccc3c[nH+]2)cc1F ZINC001170089267 1130207513 /nfs/dbraw/zinc/20/75/13/1130207513.db2.gz JYKSENBJZFNMBG-UHFFFAOYSA-N 1 2 295.292 3.997 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240214335 1130234185 /nfs/dbraw/zinc/23/41/85/1130234185.db2.gz OENBDGRCNCYARR-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO CCO[C@@H](CC/[NH+]=C/c1cccc(O)c1O)C1CCCC1 ZINC000746817108 1130251328 /nfs/dbraw/zinc/25/13/28/1130251328.db2.gz WARMCCGGCODSBI-IQFISFIMSA-N 1 2 291.391 3.502 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccccc3)n21 ZINC000748998865 1130259042 /nfs/dbraw/zinc/25/90/42/1130259042.db2.gz ICVQNGCQWVDUOY-KHPPLWFESA-N 1 2 262.312 3.539 20 30 CHEDLO C[Si](C)(C)C#Cc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497799 1130330102 /nfs/dbraw/zinc/33/01/02/1130330102.db2.gz ZVWUPUGHNITQQX-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791450638 1130376010 /nfs/dbraw/zinc/37/60/10/1130376010.db2.gz YYTFIMHHABVUQR-OAHLLOKOSA-N 1 2 298.386 3.826 20 30 CHEDLO CC(C[NH+]1Cc2ccccc2C1)=NOCc1ccc(F)cc1 ZINC000792643568 1130485694 /nfs/dbraw/zinc/48/56/94/1130485694.db2.gz SDWVVOCLVCXFRT-UHFFFAOYSA-N 1 2 298.361 3.734 20 30 CHEDLO N#Cc1csc(C[NH+]2CCC(C3CCCCC3)CC2)n1 ZINC000811456567 1130610306 /nfs/dbraw/zinc/61/03/06/1130610306.db2.gz REKUHBDECDFOLI-UHFFFAOYSA-N 1 2 289.448 3.807 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1nccc2ccccc21 ZINC000811699526 1130639997 /nfs/dbraw/zinc/63/99/97/1130639997.db2.gz TVOGKSOXOJAYIH-HJWRWDBZSA-N 1 2 299.333 3.779 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1nccc2ccccc21 ZINC000811699525 1130640225 /nfs/dbraw/zinc/64/02/25/1130640225.db2.gz TVOGKSOXOJAYIH-CMDGGOBGSA-N 1 2 299.333 3.779 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(OC)cc1OC(C)C ZINC001234713896 1130675585 /nfs/dbraw/zinc/67/55/85/1130675585.db2.gz BJEWIDBPFOBLGK-UHFFFAOYSA-N 1 2 290.407 3.608 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC)cc1OC(C)C ZINC001234713896 1130675589 /nfs/dbraw/zinc/67/55/89/1130675589.db2.gz BJEWIDBPFOBLGK-UHFFFAOYSA-N 1 2 290.407 3.608 20 30 CHEDLO C=Cc1ccc(CC/[NH+]=C/c2cccc(OC)c2O)cc1 ZINC000812444778 1130690956 /nfs/dbraw/zinc/69/09/56/1130690956.db2.gz NHJSEPJDIAHGDL-CPNJWEJPSA-N 1 2 281.355 3.705 20 30 CHEDLO N#Cc1cc(F)c(C[NH+]2CC3(C2)CCCCC3)c(F)c1 ZINC001235659807 1130762812 /nfs/dbraw/zinc/76/28/12/1130762812.db2.gz AIMACJATNNEQSK-UHFFFAOYSA-N 1 2 276.330 3.603 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235665299 1130764505 /nfs/dbraw/zinc/76/45/05/1130764505.db2.gz VBZCXWMJJQVYST-LBPRGKRZSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235665299 1130764510 /nfs/dbraw/zinc/76/45/10/1130764510.db2.gz VBZCXWMJJQVYST-LBPRGKRZSA-N 1 2 298.336 3.783 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(O)cc(Cl)c2)cc1C#N ZINC001235905385 1130801758 /nfs/dbraw/zinc/80/17/58/1130801758.db2.gz ACEZOONUTSNDJD-VXLYETTFSA-N 1 2 299.761 3.806 20 30 CHEDLO Cc1ccc([C@H](C)Nc2[nH+]cccc2CC#N)c(C)c1 ZINC001170723005 1130818746 /nfs/dbraw/zinc/81/87/46/1130818746.db2.gz HGXDAIULWCSFMF-AWEZNQCLSA-N 1 2 265.360 3.938 20 30 CHEDLO CS[C@H](C/[NH+]=C/c1ccccc1O)C(C)(C)C ZINC000783682598 1130847272 /nfs/dbraw/zinc/84/72/72/1130847272.db2.gz XTRFMEIKADJQRB-GULXKOIASA-N 1 2 251.395 3.589 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccs1 ZINC000783697512 1130848439 /nfs/dbraw/zinc/84/84/39/1130848439.db2.gz RHBNIIDOLCKBNC-ARJAWSKDSA-N 1 2 286.381 3.891 20 30 CHEDLO Fc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783781915 1130854730 /nfs/dbraw/zinc/85/47/30/1130854730.db2.gz BJONIXGXYDPWBD-UHFFFAOYSA-N 1 2 286.335 3.519 20 30 CHEDLO CC(=[NH+]Nc1cc(C)cc(C)c1)c1cc(N)ccc1F ZINC000814753785 1130904927 /nfs/dbraw/zinc/90/49/27/1130904927.db2.gz ZRLOCHOVTOBTRY-UHFFFAOYSA-N 1 2 271.339 3.861 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)cc1Cl)c1ccc(N)nc1 ZINC000814751149 1130907527 /nfs/dbraw/zinc/90/75/27/1130907527.db2.gz HVCOOTCYRRKPCN-UHFFFAOYSA-N 1 2 295.173 3.807 20 30 CHEDLO Cc1cc(-c2ccc3cc(C#N)sc3c2)c[nH+]c1N ZINC001245535820 1131025760 /nfs/dbraw/zinc/02/57/60/1131025760.db2.gz BPHZHEAKLDYUHW-UHFFFAOYSA-N 1 2 265.341 3.726 20 30 CHEDLO N#CCC[N@@H+](Cc1ccncc1C(F)(F)F)C1CCCC1 ZINC001237289408 1131080035 /nfs/dbraw/zinc/08/00/35/1131080035.db2.gz DQBKPKALDBSFQU-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1ccncc1C(F)(F)F)C1CCCC1 ZINC001237289408 1131080042 /nfs/dbraw/zinc/08/00/42/1131080042.db2.gz DQBKPKALDBSFQU-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)c(F)cc1F ZINC001237525225 1131110494 /nfs/dbraw/zinc/11/04/94/1131110494.db2.gz PYYXFZRXKXTSOZ-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)c(F)cc1F ZINC001237525225 1131110500 /nfs/dbraw/zinc/11/05/00/1131110500.db2.gz PYYXFZRXKXTSOZ-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C#Cc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1 ZINC000816652028 1131120793 /nfs/dbraw/zinc/12/07/93/1131120793.db2.gz XGCAMGXEQVNYRU-UHFFFAOYSA-N 1 2 271.310 3.578 20 30 CHEDLO C#Cc1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1 ZINC000816652028 1131120795 /nfs/dbraw/zinc/12/07/95/1131120795.db2.gz XGCAMGXEQVNYRU-UHFFFAOYSA-N 1 2 271.310 3.578 20 30 CHEDLO FC(F)(F)C=C[NH2+]Nc1nc(C(F)(F)F)cs1 ZINC000817326004 1131153231 /nfs/dbraw/zinc/15/32/31/1131153231.db2.gz RDVFQGSADMGZID-UHFFFAOYSA-N 1 2 277.193 3.512 20 30 CHEDLO Cc1cc(NCC(C)(C)CC#N)[nH+]c2ccccc12 ZINC001117942905 1131206222 /nfs/dbraw/zinc/20/62/22/1131206222.db2.gz IROUDMODWORFSG-UHFFFAOYSA-N 1 2 253.349 3.895 20 30 CHEDLO Cc1ccc2nc(Cl)c(C[NH+]3CCC(C#N)CC3)cc2c1 ZINC001137918932 1131435720 /nfs/dbraw/zinc/43/57/20/1131435720.db2.gz VBUBBFGAGFIVEI-UHFFFAOYSA-N 1 2 299.805 3.932 20 30 CHEDLO N#C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089187 1131511649 /nfs/dbraw/zinc/51/16/49/1131511649.db2.gz YUSVYHVXIFEEOE-MFKMUULPSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089187 1131511651 /nfs/dbraw/zinc/51/16/51/1131511651.db2.gz YUSVYHVXIFEEOE-MFKMUULPSA-N 1 2 295.213 3.696 20 30 CHEDLO CCCOC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726024 1131527970 /nfs/dbraw/zinc/52/79/70/1131527970.db2.gz CFTNGXDREJQFEE-UHFFFAOYSA-N 1 2 292.810 3.603 20 30 CHEDLO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001139179119 1131591983 /nfs/dbraw/zinc/59/19/83/1131591983.db2.gz GKUSVFJLDLTZJE-GFCCVEGCSA-N 1 2 294.830 3.531 20 30 CHEDLO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001139179119 1131591986 /nfs/dbraw/zinc/59/19/86/1131591986.db2.gz GKUSVFJLDLTZJE-GFCCVEGCSA-N 1 2 294.830 3.531 20 30 CHEDLO Cc1cnc(Cl)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001139592159 1131619251 /nfs/dbraw/zinc/61/92/51/1131619251.db2.gz GXRQEIRDNBYSGM-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1cnc(Cl)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001139592159 1131619252 /nfs/dbraw/zinc/61/92/52/1131619252.db2.gz GXRQEIRDNBYSGM-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164231 1131619671 /nfs/dbraw/zinc/61/96/71/1131619671.db2.gz OCAGEGJAUWCMBT-GXFFZTMASA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164231 1131619676 /nfs/dbraw/zinc/61/96/76/1131619676.db2.gz OCAGEGJAUWCMBT-GXFFZTMASA-N 1 2 295.213 3.696 20 30 CHEDLO CC1(F)CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687620 1131628781 /nfs/dbraw/zinc/62/87/81/1131628781.db2.gz UOZACXQOWBRGIR-UHFFFAOYSA-N 1 2 266.747 3.536 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)c1C#N ZINC001139693974 1131630467 /nfs/dbraw/zinc/63/04/67/1131630467.db2.gz XECCSWUDPWCZFW-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)c1C#N ZINC001139693974 1131630469 /nfs/dbraw/zinc/63/04/69/1131630469.db2.gz XECCSWUDPWCZFW-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO C=CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845520520 1131639551 /nfs/dbraw/zinc/63/95/51/1131639551.db2.gz ALEFBUZNDRQQAV-HOCLYGCPSA-N 1 2 284.359 3.695 20 30 CHEDLO C#Cc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001144580797 1131660874 /nfs/dbraw/zinc/66/08/74/1131660874.db2.gz JYLGUHBQQITUFP-UHFFFAOYSA-N 1 2 283.321 3.504 20 30 CHEDLO C#Cc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001144580797 1131660876 /nfs/dbraw/zinc/66/08/76/1131660876.db2.gz JYLGUHBQQITUFP-UHFFFAOYSA-N 1 2 283.321 3.504 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140584023 1131810614 /nfs/dbraw/zinc/81/06/14/1131810614.db2.gz CWZICHQRWIXROM-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140584023 1131810625 /nfs/dbraw/zinc/81/06/25/1131810625.db2.gz CWZICHQRWIXROM-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1Cl ZINC001140604142 1131824352 /nfs/dbraw/zinc/82/43/52/1131824352.db2.gz RRYKIIYYZUSKOX-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1Cl ZINC001140604142 1131824358 /nfs/dbraw/zinc/82/43/58/1131824358.db2.gz RRYKIIYYZUSKOX-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO Cc1ccc(O)c(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001140617265 1131829617 /nfs/dbraw/zinc/82/96/17/1131829617.db2.gz JOYHHACYJYUQLL-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001140617265 1131829621 /nfs/dbraw/zinc/82/96/21/1131829621.db2.gz JOYHHACYJYUQLL-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3cnc(C#N)c(F)c3)ccc12 ZINC001203061166 1131894023 /nfs/dbraw/zinc/89/40/23/1131894023.db2.gz ZMYHVUNTOOKIMT-UHFFFAOYSA-N 1 2 278.290 3.693 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(NC)[nH+]c1 ZINC001171374451 1131929569 /nfs/dbraw/zinc/92/95/69/1131929569.db2.gz SGJHNIHOLOWMHZ-CYBMUJFWSA-N 1 2 283.375 3.861 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H](F)C2)c1Cl ZINC001140808004 1131932221 /nfs/dbraw/zinc/93/22/21/1131932221.db2.gz JJQAIYAMTPVTOL-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H](F)C2)c1Cl ZINC001140808004 1131932225 /nfs/dbraw/zinc/93/22/25/1131932225.db2.gz JJQAIYAMTPVTOL-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO Cc1ncccc1C[N@@H+](C)Cc1cccc(C#N)c1Cl ZINC001140814990 1131934804 /nfs/dbraw/zinc/93/48/04/1131934804.db2.gz XGLAYUGCZQEJTD-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ncccc1C[N@H+](C)Cc1cccc(C#N)c1Cl ZINC001140814990 1131934810 /nfs/dbraw/zinc/93/48/10/1131934810.db2.gz XGLAYUGCZQEJTD-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ncoc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001141053345 1131998037 /nfs/dbraw/zinc/99/80/37/1131998037.db2.gz BWZLPRJSQWFZIQ-UHFFFAOYSA-N 1 2 275.396 3.812 20 30 CHEDLO Cc1ncoc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001141053345 1131998045 /nfs/dbraw/zinc/99/80/45/1131998045.db2.gz BWZLPRJSQWFZIQ-UHFFFAOYSA-N 1 2 275.396 3.812 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118415 1132021585 /nfs/dbraw/zinc/02/15/85/1132021585.db2.gz XJLRPLHWGWSDSY-OAHLLOKOSA-N 1 2 295.361 3.623 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118415 1132021592 /nfs/dbraw/zinc/02/15/92/1132021592.db2.gz XJLRPLHWGWSDSY-OAHLLOKOSA-N 1 2 295.361 3.623 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC001141164214 1132032561 /nfs/dbraw/zinc/03/25/61/1132032561.db2.gz QKMPJLNFDXFZBH-UHFFFAOYSA-N 1 2 282.309 3.565 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC001141164214 1132032570 /nfs/dbraw/zinc/03/25/70/1132032570.db2.gz QKMPJLNFDXFZBH-UHFFFAOYSA-N 1 2 282.309 3.565 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171563505 1132055456 /nfs/dbraw/zinc/05/54/56/1132055456.db2.gz JXQFPXUYHPXWLG-HNNXBMFYSA-N 1 2 256.393 3.524 20 30 CHEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001172502757 1132251217 /nfs/dbraw/zinc/25/12/17/1132251217.db2.gz LWKVXUNXACSHRU-KGLIPLIRSA-N 1 2 289.485 3.577 20 30 CHEDLO C[C@@H](C#C[Si](C)(C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082655 1132252591 /nfs/dbraw/zinc/25/25/91/1132252591.db2.gz XLIKMPVUVJYTFR-ZDUSSCGKSA-N 1 2 284.435 3.725 20 30 CHEDLO N#C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565181 1132271215 /nfs/dbraw/zinc/27/12/15/1132271215.db2.gz SOOODXFUPUDQCP-IKGGRYGDSA-N 1 2 254.377 3.701 20 30 CHEDLO N#C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565181 1132271218 /nfs/dbraw/zinc/27/12/18/1132271218.db2.gz SOOODXFUPUDQCP-IKGGRYGDSA-N 1 2 254.377 3.701 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(SC)s1 ZINC001142025708 1132298514 /nfs/dbraw/zinc/29/85/14/1132298514.db2.gz IIJBOOBQXHRCFI-UHFFFAOYSA-N 1 2 268.451 3.986 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(SC)s1 ZINC001142025708 1132298518 /nfs/dbraw/zinc/29/85/18/1132298518.db2.gz IIJBOOBQXHRCFI-UHFFFAOYSA-N 1 2 268.451 3.986 20 30 CHEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198940 1132409337 /nfs/dbraw/zinc/40/93/37/1132409337.db2.gz MEGMBJVIGYXSIE-UPTPFMHGSA-N 1 2 286.419 3.904 20 30 CHEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112104 1132423537 /nfs/dbraw/zinc/42/35/37/1132423537.db2.gz OOGRNTQEYNAKSA-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccnc(C(C)(C)C)c1 ZINC001232216850 1132437173 /nfs/dbraw/zinc/43/71/73/1132437173.db2.gz YIIDALJSJRSHGQ-UHFFFAOYSA-N 1 2 273.424 3.895 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(C(C)(C)C)c1 ZINC001232216850 1132437176 /nfs/dbraw/zinc/43/71/76/1132437176.db2.gz YIIDALJSJRSHGQ-UHFFFAOYSA-N 1 2 273.424 3.895 20 30 CHEDLO CCCCCCCC[N@H+](C)Cc1csc(NC(C)=O)n1 ZINC001232285855 1132449167 /nfs/dbraw/zinc/44/91/67/1132449167.db2.gz XNZYSTDNABDATD-UHFFFAOYSA-N 1 2 297.468 3.894 20 30 CHEDLO CCCCCCCC[N@@H+](C)Cc1csc(NC(C)=O)n1 ZINC001232285855 1132449173 /nfs/dbraw/zinc/44/91/73/1132449173.db2.gz XNZYSTDNABDATD-UHFFFAOYSA-N 1 2 297.468 3.894 20 30 CHEDLO COCc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001232299193 1132451362 /nfs/dbraw/zinc/45/13/62/1132451362.db2.gz HHYIFSNGJGGVHR-UHFFFAOYSA-N 1 2 294.398 3.749 20 30 CHEDLO COCc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001232299193 1132451366 /nfs/dbraw/zinc/45/13/66/1132451366.db2.gz HHYIFSNGJGGVHR-UHFFFAOYSA-N 1 2 294.398 3.749 20 30 CHEDLO N#CCC1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001173328036 1132463000 /nfs/dbraw/zinc/46/30/00/1132463000.db2.gz MPVFIDWYORTMJH-UHFFFAOYSA-N 1 2 259.397 3.665 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC001232678602 1132504851 /nfs/dbraw/zinc/50/48/51/1132504851.db2.gz JIZSYJFSPHMLKP-KRWDZBQOSA-N 1 2 284.403 3.809 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC001232678602 1132504858 /nfs/dbraw/zinc/50/48/58/1132504858.db2.gz JIZSYJFSPHMLKP-KRWDZBQOSA-N 1 2 284.403 3.809 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001232677585 1132505438 /nfs/dbraw/zinc/50/54/38/1132505438.db2.gz GNIMGPDORKZJTL-QGZVFWFLSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001232677585 1132505443 /nfs/dbraw/zinc/50/54/43/1132505443.db2.gz GNIMGPDORKZJTL-QGZVFWFLSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001232678956 1132505745 /nfs/dbraw/zinc/50/57/45/1132505745.db2.gz VTMYGBDYXFBVLX-INIZCTEOSA-N 1 2 284.403 3.666 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001232678956 1132505754 /nfs/dbraw/zinc/50/57/54/1132505754.db2.gz VTMYGBDYXFBVLX-INIZCTEOSA-N 1 2 284.403 3.666 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001232701285 1132507114 /nfs/dbraw/zinc/50/71/14/1132507114.db2.gz VZJJXWIDNFTWPE-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001232701285 1132507121 /nfs/dbraw/zinc/50/71/21/1132507121.db2.gz VZJJXWIDNFTWPE-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(O)c(F)c(F)c1 ZINC001232976361 1132556305 /nfs/dbraw/zinc/55/63/05/1132556305.db2.gz WVBZUHFWJCHWQE-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(O)c(F)c(F)c1 ZINC001232976361 1132556309 /nfs/dbraw/zinc/55/63/09/1132556309.db2.gz WVBZUHFWJCHWQE-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO Cc1cc(Cl)c(C)c(NCC#Cc2ccccc2)[nH+]1 ZINC001159373307 1132834602 /nfs/dbraw/zinc/83/46/02/1132834602.db2.gz QITGQSQFXLGDJK-UHFFFAOYSA-N 1 2 270.763 3.815 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174521774 1132911544 /nfs/dbraw/zinc/91/15/44/1132911544.db2.gz DQHWVQVTLVNLHS-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1ccc(F)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524085 1132913482 /nfs/dbraw/zinc/91/34/82/1132913482.db2.gz CLBHNIRLRUVMGA-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522937 1132913684 /nfs/dbraw/zinc/91/36/84/1132913684.db2.gz ZLHAVMYIPRYZPE-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO Cc1csc(Nc2cccc3[nH+]c[nH]c32)c1C#N ZINC001213026361 1132981898 /nfs/dbraw/zinc/98/18/98/1132981898.db2.gz VROUSHJPVMSBIQ-UHFFFAOYSA-N 1 2 254.318 3.548 20 30 CHEDLO N#Cc1cncc(CNc2cc(-c3ccccc3)cc[nH+]2)c1 ZINC001160992021 1132989146 /nfs/dbraw/zinc/98/91/46/1132989146.db2.gz DQPPCYBCVNKPBV-UHFFFAOYSA-N 1 2 286.338 3.627 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213031697 1132997035 /nfs/dbraw/zinc/99/70/35/1132997035.db2.gz MXUUQTIKSDZREK-UHFFFAOYSA-N 1 2 262.316 3.741 20 30 CHEDLO N#CCc1cc[nH+]c(NCC2(Cc3ccc(F)cc3)CC2)c1 ZINC001161623117 1133010829 /nfs/dbraw/zinc/01/08/29/1133010829.db2.gz SIIUXWSHPDLWKO-UHFFFAOYSA-N 1 2 295.361 3.722 20 30 CHEDLO Cc1c[nH+]c(NCC2(C)CCC(F)(F)CC2)c(/C=N/O)c1 ZINC001162030401 1133049174 /nfs/dbraw/zinc/04/91/74/1133049174.db2.gz GQVFIQHGTDPCNH-AWQFTUOYSA-N 1 2 297.349 3.826 20 30 CHEDLO Cc1ccc(Nc2cnc(C#N)c(C(F)(F)F)c2)c(C)[nH+]1 ZINC001203370690 1133319612 /nfs/dbraw/zinc/31/96/12/1133319612.db2.gz SGFFUZSMCGSJHW-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO CNc1ccc(Nc2ccc(C#N)c3ccccc23)c[nH+]1 ZINC001203454614 1133328915 /nfs/dbraw/zinc/32/89/15/1133328915.db2.gz GPHHIPMCJZCTCD-UHFFFAOYSA-N 1 2 274.327 3.892 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cccc(C#CC(C)(C)O)c2)c1 ZINC001203667901 1133352391 /nfs/dbraw/zinc/35/23/91/1133352391.db2.gz PYDKPSAQABCQHY-UHFFFAOYSA-N 1 2 280.371 3.564 20 30 CHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001204647717 1133470634 /nfs/dbraw/zinc/47/06/34/1133470634.db2.gz BNACJUMHAKHTIB-UKRRQHHQSA-N 1 2 298.390 3.591 20 30 CHEDLO C=CCC[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OCC ZINC001205849329 1133622189 /nfs/dbraw/zinc/62/21/89/1133622189.db2.gz OTCGMECAKRBSEO-NVXWUHKLSA-N 1 2 289.419 3.668 20 30 CHEDLO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCCC[C@H]1C#N ZINC001208217785 1133909722 /nfs/dbraw/zinc/90/97/22/1133909722.db2.gz LBXCUOQDCRXWSJ-HOTGVXAUSA-N 1 2 280.456 3.986 20 30 CHEDLO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC[C@H]1C#N ZINC001208217785 1133909725 /nfs/dbraw/zinc/90/97/25/1133909725.db2.gz LBXCUOQDCRXWSJ-HOTGVXAUSA-N 1 2 280.456 3.986 20 30 CHEDLO C=CCCCCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209443325 1134021832 /nfs/dbraw/zinc/02/18/32/1134021832.db2.gz QRLGQANERFDGFP-HNNXBMFYSA-N 1 2 289.410 3.853 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209443325 1134021833 /nfs/dbraw/zinc/02/18/33/1134021833.db2.gz QRLGQANERFDGFP-HNNXBMFYSA-N 1 2 289.410 3.853 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001209441318 1134022204 /nfs/dbraw/zinc/02/22/04/1134022204.db2.gz HOZNHBLSKZCEMR-ZDUSSCGKSA-N 1 2 279.346 3.776 20 30 CHEDLO C=CCCCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001209441318 1134022209 /nfs/dbraw/zinc/02/22/09/1134022209.db2.gz HOZNHBLSKZCEMR-ZDUSSCGKSA-N 1 2 279.346 3.776 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209721671 1134054101 /nfs/dbraw/zinc/05/41/01/1134054101.db2.gz CFSGWSQSSOOFJV-UHFFFAOYSA-N 1 2 261.756 3.557 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209721671 1134054106 /nfs/dbraw/zinc/05/41/06/1134054106.db2.gz CFSGWSQSSOOFJV-UHFFFAOYSA-N 1 2 261.756 3.557 20 30 CHEDLO COc1cccc(Nc2ccc([NH+](C)C)c(C)c2)c1C#N ZINC001210042988 1134131734 /nfs/dbraw/zinc/13/17/34/1134131734.db2.gz HKMPNOUBMRDBMU-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO N#Cc1ccc(Cl)nc1Nc1cccc2cc[nH+]cc21 ZINC001210224513 1134172794 /nfs/dbraw/zinc/17/27/94/1134172794.db2.gz QOYPKZVOVXWSEE-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)c(C)c2)cc[nH+]1 ZINC001210303783 1134189448 /nfs/dbraw/zinc/18/94/48/1134189448.db2.gz MLERHKNJDGBKKD-UHFFFAOYSA-N 1 2 276.261 3.556 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccccc1-n1cc[nH+]c1 ZINC001210500930 1134231234 /nfs/dbraw/zinc/23/12/34/1134231234.db2.gz GQJKDZUFRPOWPK-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccc(F)cc2C#N)cc1 ZINC001210556938 1134247937 /nfs/dbraw/zinc/24/79/37/1134247937.db2.gz UKSJTARHJZXRDB-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccc(F)cc2C#N)cc1 ZINC001210556938 1134247941 /nfs/dbraw/zinc/24/79/41/1134247941.db2.gz UKSJTARHJZXRDB-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO Cc1cn2cccc(Nc3ccc(C)cc3C#N)c2[nH+]1 ZINC001210563419 1134249365 /nfs/dbraw/zinc/24/93/65/1134249365.db2.gz CKICHLCPTUOMMG-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO N#Cc1ccccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001210737267 1134286249 /nfs/dbraw/zinc/28/62/49/1134286249.db2.gz CZDJEDPZCMIPLF-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO COc1cc(Nc2ccc([C@@H](C)C#N)cc2)cc(C)[nH+]1 ZINC001210780864 1134294876 /nfs/dbraw/zinc/29/48/76/1134294876.db2.gz JKTJYMHHXOUQDU-NSHDSACASA-N 1 2 267.332 3.769 20 30 CHEDLO N#Cc1c(F)cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC001213092066 1134425264 /nfs/dbraw/zinc/42/52/64/1134425264.db2.gz ZIXPSNYOFYTJNV-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1cnc(C#N)c(Nc2cc(C3CC3)c[nH+]c2C)c1 ZINC001213495148 1134454406 /nfs/dbraw/zinc/45/44/06/1134454406.db2.gz SPSUGAIJEZAXNC-UHFFFAOYSA-N 1 2 264.332 3.586 20 30 CHEDLO Cn1c2ccccc2[nH+]c1Nc1ccc(C#N)cc1Cl ZINC001213989531 1134503904 /nfs/dbraw/zinc/50/39/04/1134503904.db2.gz CVIVRUUVOIUIKD-UHFFFAOYSA-N 1 2 282.734 3.842 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cc(C#N)ccc1F ZINC001214596234 1134555242 /nfs/dbraw/zinc/55/52/42/1134555242.db2.gz VJKCYHPDXGXDCS-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO N#Cc1ccc(F)c(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001214598419 1134555500 /nfs/dbraw/zinc/55/55/00/1134555500.db2.gz LSDMEQQOTGCLRU-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1cccc(Cl)c1C#N ZINC001216124946 1134785855 /nfs/dbraw/zinc/78/58/55/1134785855.db2.gz HXIOOCRRFKLNGY-UHFFFAOYSA-N 1 2 273.723 3.749 20 30 CHEDLO CCN(C)c1ccc(Nc2cccc(Cl)c2C#N)c[nH+]1 ZINC001216126706 1134786058 /nfs/dbraw/zinc/78/60/58/1134786058.db2.gz AEXVCVFILYUKME-UHFFFAOYSA-N 1 2 286.766 3.806 20 30 CHEDLO Cc1cn2cccc(Nc3cccc(C#N)c3C)c2[nH+]1 ZINC001216173639 1134794385 /nfs/dbraw/zinc/79/43/85/1134794385.db2.gz ZYJQBOVMOXWHIA-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000404165388 1134933190 /nfs/dbraw/zinc/93/31/90/1134933190.db2.gz AXRSMNPNMPKGKO-UHFFFAOYSA-N 1 2 274.589 3.633 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1cccc(Br)c1 ZINC000404165388 1134933196 /nfs/dbraw/zinc/93/31/96/1134933196.db2.gz AXRSMNPNMPKGKO-UHFFFAOYSA-N 1 2 274.589 3.633 20 30 CHEDLO C#C[C@H](OCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001223419380 1135342331 /nfs/dbraw/zinc/34/23/31/1135342331.db2.gz DADYINRWAVKKAP-KRWDZBQOSA-N 1 2 251.329 3.590 20 30 CHEDLO C#C[C@H](OCCCCC(=[NH2+])OCC)c1ccccc1 ZINC001224963895 1135497173 /nfs/dbraw/zinc/49/71/73/1135497173.db2.gz RMLIPLDTWODMIO-HNNXBMFYSA-N 1 2 259.349 3.562 20 30 CHEDLO Cc1cc[nH+]c(C)c1O[C@H](CC#N)c1ccccc1 ZINC001227266233 1135812295 /nfs/dbraw/zinc/81/22/95/1135812295.db2.gz ZLDHKXLOJYWMGC-OAHLLOKOSA-N 1 2 252.317 3.732 20 30 CHEDLO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2c(C)cc[nH+]c2C)O1 ZINC001227264165 1135813287 /nfs/dbraw/zinc/81/32/87/1135813287.db2.gz KJMXWITVWWWSIL-PBHICJAKSA-N 1 2 275.392 3.980 20 30 CHEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000351958475 529491803 /nfs/dbraw/zinc/49/18/03/529491803.db2.gz KWSLIIZXKVRIDR-KRWDZBQOSA-N 1 2 295.342 3.752 20 30 CHEDLO CC1(C#N)CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000573671852 334956331 /nfs/dbraw/zinc/95/63/31/334956331.db2.gz BOVDZDRPFDWEPQ-UHFFFAOYSA-N 1 2 298.434 3.956 20 30 CHEDLO COc1cccc2c(N3CCC(CCC#N)CC3)cc[nH+]c12 ZINC000574448739 335020335 /nfs/dbraw/zinc/02/03/35/335020335.db2.gz BELPHCMMKHUVJN-UHFFFAOYSA-N 1 2 295.386 3.764 20 30 CHEDLO CCCCc1[nH+]c2ccccc2n1C[C@H](C#N)CCC#N ZINC000032514449 171730882 /nfs/dbraw/zinc/73/08/82/171730882.db2.gz USSXDKUPISTTCP-AWEZNQCLSA-N 1 2 280.375 3.822 20 30 CHEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)n1 ZINC000334594405 225030626 /nfs/dbraw/zinc/03/06/26/225030626.db2.gz VQHGBFSGGQLIFU-SECBINFHSA-N 1 2 295.820 3.507 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1F ZINC000344237595 225001722 /nfs/dbraw/zinc/00/17/22/225001722.db2.gz XHKTXVVYFJQHIO-SECBINFHSA-N 1 2 297.171 3.543 20 30 CHEDLO Cc1ccc([C@H](C)[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356058700 228103814 /nfs/dbraw/zinc/10/38/14/228103814.db2.gz OQUVPROCJCSHLI-LBPRGKRZSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356058700 228103815 /nfs/dbraw/zinc/10/38/15/228103815.db2.gz OQUVPROCJCSHLI-LBPRGKRZSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1[nH+]c2ccccn2c1CNc1ccc(Cl)c(C#N)c1 ZINC000037282013 260079340 /nfs/dbraw/zinc/07/93/40/260079340.db2.gz UKSLMLYWZTXTLB-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844833 260249068 /nfs/dbraw/zinc/24/90/68/260249068.db2.gz IVRIXEUOBZXGBD-HNNXBMFYSA-N 1 2 296.773 3.546 20 30 CHEDLO N#CCCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844833 260249070 /nfs/dbraw/zinc/24/90/70/260249070.db2.gz IVRIXEUOBZXGBD-HNNXBMFYSA-N 1 2 296.773 3.546 20 30 CHEDLO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](C#N)CCC#N ZINC000078773300 260302145 /nfs/dbraw/zinc/30/21/45/260302145.db2.gz YKEWXJDJABNJBT-NSHDSACASA-N 1 2 281.812 3.667 20 30 CHEDLO CC[N@H+](Cc1ccc(Cl)s1)C[C@H](C#N)CCC#N ZINC000078773300 260302147 /nfs/dbraw/zinc/30/21/47/260302147.db2.gz YKEWXJDJABNJBT-NSHDSACASA-N 1 2 281.812 3.667 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000081043721 260329473 /nfs/dbraw/zinc/32/94/73/260329473.db2.gz PMULPMXPNAGPPS-UHFFFAOYSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000081043721 260329475 /nfs/dbraw/zinc/32/94/75/260329475.db2.gz PMULPMXPNAGPPS-UHFFFAOYSA-N 1 2 272.392 3.599 20 30 CHEDLO C=C(C)C[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698619 261106880 /nfs/dbraw/zinc/10/68/80/261106880.db2.gz CRJUQAHLSHIAJA-WFASDCNBSA-N 1 2 265.784 3.678 20 30 CHEDLO C=C(C)C[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698619 261106882 /nfs/dbraw/zinc/10/68/82/261106882.db2.gz CRJUQAHLSHIAJA-WFASDCNBSA-N 1 2 265.784 3.678 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1C#N ZINC000103139630 261274988 /nfs/dbraw/zinc/27/49/88/261274988.db2.gz HEJWBBHNOLXTIL-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1C#N ZINC000103139630 261274989 /nfs/dbraw/zinc/27/49/89/261274989.db2.gz HEJWBBHNOLXTIL-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCCC#N ZINC000189496027 262172316 /nfs/dbraw/zinc/17/23/16/262172316.db2.gz GHZBNDVWOQLMSS-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCCC#N ZINC000189496027 262172317 /nfs/dbraw/zinc/17/23/17/262172317.db2.gz GHZBNDVWOQLMSS-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nc2ccccn21 ZINC000160632477 262289872 /nfs/dbraw/zinc/28/98/72/262289872.db2.gz XWHRPRWNAQEUEI-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nc2ccccn21 ZINC000160632477 262289873 /nfs/dbraw/zinc/28/98/73/262289873.db2.gz XWHRPRWNAQEUEI-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO C[C@H](CCC#N)[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000411693851 262703826 /nfs/dbraw/zinc/70/38/26/262703826.db2.gz MSLGASBAVHYNCD-IUODEOHRSA-N 1 2 280.774 3.903 20 30 CHEDLO C[C@H](CCC#N)[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000411693851 262703827 /nfs/dbraw/zinc/70/38/27/262703827.db2.gz MSLGASBAVHYNCD-IUODEOHRSA-N 1 2 280.774 3.903 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000274213901 263022132 /nfs/dbraw/zinc/02/21/32/263022132.db2.gz OGEJSRAOABCDNJ-ZIAGYGMSSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000274213901 263022133 /nfs/dbraw/zinc/02/21/33/263022133.db2.gz OGEJSRAOABCDNJ-ZIAGYGMSSA-N 1 2 257.381 3.555 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279642560 263056587 /nfs/dbraw/zinc/05/65/87/263056587.db2.gz LYMSNCZVTODROU-NSHDSACASA-N 1 2 299.340 3.505 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279642560 263056588 /nfs/dbraw/zinc/05/65/88/263056588.db2.gz LYMSNCZVTODROU-NSHDSACASA-N 1 2 299.340 3.505 20 30 CHEDLO Cc1nn(C(C)C)cc1C[N@@H+](CCC#N)CCC(C)C ZINC000281803988 263072161 /nfs/dbraw/zinc/07/21/61/263072161.db2.gz YMOBSSOAGOJQRU-UHFFFAOYSA-N 1 2 276.428 3.534 20 30 CHEDLO Cc1nn(C(C)C)cc1C[N@H+](CCC#N)CCC(C)C ZINC000281803988 263072162 /nfs/dbraw/zinc/07/21/62/263072162.db2.gz YMOBSSOAGOJQRU-UHFFFAOYSA-N 1 2 276.428 3.534 20 30 CHEDLO N#CC1(CCC[N@@H+]2CCCCc3ccccc32)CCOCC1 ZINC000281965862 263073391 /nfs/dbraw/zinc/07/33/91/263073391.db2.gz KSVXMZOWPUHXRZ-UHFFFAOYSA-N 1 2 298.430 3.930 20 30 CHEDLO N#CC1(CCC[N@H+]2CCCCc3ccccc32)CCOCC1 ZINC000281965862 263073392 /nfs/dbraw/zinc/07/33/92/263073392.db2.gz KSVXMZOWPUHXRZ-UHFFFAOYSA-N 1 2 298.430 3.930 20 30 CHEDLO Cc1ccc([N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282029350 263073868 /nfs/dbraw/zinc/07/38/68/263073868.db2.gz PVVFPPWKPYFZPB-UHFFFAOYSA-N 1 2 272.392 3.532 20 30 CHEDLO Cc1ccc([N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282029350 263073869 /nfs/dbraw/zinc/07/38/69/263073869.db2.gz PVVFPPWKPYFZPB-UHFFFAOYSA-N 1 2 272.392 3.532 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000292078547 263128022 /nfs/dbraw/zinc/12/80/22/263128022.db2.gz DJARKCJYNWYXMQ-UHFFFAOYSA-N 1 2 268.282 3.607 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000292078547 263128023 /nfs/dbraw/zinc/12/80/23/263128023.db2.gz DJARKCJYNWYXMQ-UHFFFAOYSA-N 1 2 268.282 3.607 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000292318910 263130988 /nfs/dbraw/zinc/13/09/88/263130988.db2.gz VTRROBNPZKFTKQ-LBPRGKRZSA-N 1 2 280.318 3.751 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000292318910 263130989 /nfs/dbraw/zinc/13/09/89/263130989.db2.gz VTRROBNPZKFTKQ-LBPRGKRZSA-N 1 2 280.318 3.751 20 30 CHEDLO COc1cccc2c(N[C@H]3CC[C@@H](CC#N)C3)cc[nH+]c12 ZINC000294888401 263169035 /nfs/dbraw/zinc/16/90/35/263169035.db2.gz CTCAHYYVGNSLNM-STQMWFEESA-N 1 2 281.359 3.738 20 30 CHEDLO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)C(F)F ZINC000453251374 263210615 /nfs/dbraw/zinc/21/06/15/263210615.db2.gz SYGZZSNFWUJOAR-QWHCGFSZSA-N 1 2 252.308 3.643 20 30 CHEDLO CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000453253948 263210998 /nfs/dbraw/zinc/21/09/98/263210998.db2.gz XNMRWYQPWXPTNW-CABCVRRESA-N 1 2 278.346 3.959 20 30 CHEDLO C[C@@H](CCC#N)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000298611558 263222982 /nfs/dbraw/zinc/22/29/82/263222982.db2.gz MGFIRJKTMXQFNJ-GXTWGEPZSA-N 1 2 271.389 3.514 20 30 CHEDLO Cc1ccccc1C([NH2+]CCC#N)c1ccccc1C ZINC000299192160 263234190 /nfs/dbraw/zinc/23/41/90/263234190.db2.gz CWPFQWGHUHLCHL-UHFFFAOYSA-N 1 2 264.372 3.896 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000342180713 263394595 /nfs/dbraw/zinc/39/45/95/263394595.db2.gz NAKDLMHUBTWKGQ-UHFFFAOYSA-N 1 2 290.313 3.772 20 30 CHEDLO CCC(CC)CN(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000425337283 264013220 /nfs/dbraw/zinc/01/32/20/264013220.db2.gz NCQLZRZAUUHIAB-UHFFFAOYSA-N 1 2 276.428 3.616 20 30 CHEDLO CC[C@H](C)n1ncc(C(=O)Nc2ccc(C)[nH+]c2C)c1C ZINC000331084745 264117872 /nfs/dbraw/zinc/11/78/72/264117872.db2.gz NZTBUTXQMYFOCG-NSHDSACASA-N 1 2 286.379 3.811 20 30 CHEDLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425363094 264135770 /nfs/dbraw/zinc/13/57/70/264135770.db2.gz AOIDRCWKMLGHQW-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425363094 264135771 /nfs/dbraw/zinc/13/57/71/264135771.db2.gz AOIDRCWKMLGHQW-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO C=CC[N@@H+](Cc1cncc(C)c1)Cc1ccccc1F ZINC000189803410 264326485 /nfs/dbraw/zinc/32/64/85/264326485.db2.gz BZBKZKTZRBFLNQ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@H+](Cc1cncc(C)c1)Cc1ccccc1F ZINC000189803410 264326486 /nfs/dbraw/zinc/32/64/86/264326486.db2.gz BZBKZKTZRBFLNQ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356190558 266065929 /nfs/dbraw/zinc/06/59/29/266065929.db2.gz IEWOFQZQFQYJRC-MRVPVSSYSA-N 1 2 262.300 3.501 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356190558 266065933 /nfs/dbraw/zinc/06/59/33/266065933.db2.gz IEWOFQZQFQYJRC-MRVPVSSYSA-N 1 2 262.300 3.501 20 30 CHEDLO Cc1csc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000370394734 267315633 /nfs/dbraw/zinc/31/56/33/267315633.db2.gz MCHRDFCJCXXMCU-CVEARBPZSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1csc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000370394734 267315635 /nfs/dbraw/zinc/31/56/35/267315635.db2.gz MCHRDFCJCXXMCU-CVEARBPZSA-N 1 2 297.427 3.723 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccccc1C#N ZINC000531833466 328041059 /nfs/dbraw/zinc/04/10/59/328041059.db2.gz XEYIJFNSYSDHGE-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccccc1C#N ZINC000531833466 328041061 /nfs/dbraw/zinc/04/10/61/328041061.db2.gz XEYIJFNSYSDHGE-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000534337912 328049568 /nfs/dbraw/zinc/04/95/68/328049568.db2.gz CQIQREFMWVGQJS-UHFFFAOYSA-N 1 2 286.297 3.551 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000534337912 328049569 /nfs/dbraw/zinc/04/95/69/328049569.db2.gz CQIQREFMWVGQJS-UHFFFAOYSA-N 1 2 286.297 3.551 20 30 CHEDLO C[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccc(F)cc1 ZINC000275778683 328216097 /nfs/dbraw/zinc/21/60/97/328216097.db2.gz XENATUZOTWURPG-OAHLLOKOSA-N 1 2 297.377 3.740 20 30 CHEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccc(F)cc1 ZINC000275778683 328216098 /nfs/dbraw/zinc/21/60/98/328216098.db2.gz XENATUZOTWURPG-OAHLLOKOSA-N 1 2 297.377 3.740 20 30 CHEDLO C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000284293107 328245678 /nfs/dbraw/zinc/24/56/78/328245678.db2.gz ODWCFKXCSMOAAB-GHMZBOCLSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000284293107 328245680 /nfs/dbraw/zinc/24/56/80/328245680.db2.gz ODWCFKXCSMOAAB-GHMZBOCLSA-N 1 2 266.747 3.603 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccsc1C(F)(F)F ZINC000529544629 328550770 /nfs/dbraw/zinc/55/07/70/328550770.db2.gz UGWAOWXUAUNIII-SECBINFHSA-N 1 2 262.300 3.549 20 30 CHEDLO N#C[C@@H](Sc1[nH+]cc2ccccn21)C1CCCCC1 ZINC000115186038 326933403 /nfs/dbraw/zinc/93/34/03/326933403.db2.gz LGGALPCLEWSTPF-CQSZACIVSA-N 1 2 271.389 3.899 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC000560152814 327287618 /nfs/dbraw/zinc/28/76/18/327287618.db2.gz YAJHTAYWAMQSQU-AWEZNQCLSA-N 1 2 297.345 3.612 20 30 CHEDLO C=C1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000356218210 328861263 /nfs/dbraw/zinc/86/12/63/328861263.db2.gz FHAKFIQVNYRJPN-UHFFFAOYSA-N 1 2 261.312 3.919 20 30 CHEDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCC#N ZINC000123235837 329008283 /nfs/dbraw/zinc/00/82/83/329008283.db2.gz QXVMCSZJPQTKBN-JTQLQIEISA-N 1 2 256.271 3.612 20 30 CHEDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC000123235837 329008285 /nfs/dbraw/zinc/00/82/85/329008285.db2.gz QXVMCSZJPQTKBN-JTQLQIEISA-N 1 2 256.271 3.612 20 30 CHEDLO C=CCCCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000582676135 329123797 /nfs/dbraw/zinc/12/37/97/329123797.db2.gz DIVFVXXODPLSHA-OAHLLOKOSA-N 1 2 276.428 3.762 20 30 CHEDLO C=CCCCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172465350 329135342 /nfs/dbraw/zinc/13/53/42/329135342.db2.gz YPULNSLXDNIAFC-UHFFFAOYSA-N 1 2 297.402 3.691 20 30 CHEDLO Cc1ccc(CSCCOc2cccc(C#N)c2)c(C)[nH+]1 ZINC000184817489 329262819 /nfs/dbraw/zinc/26/28/19/329262819.db2.gz JCBZBWGPIWEVRB-UHFFFAOYSA-N 1 2 298.411 3.882 20 30 CHEDLO C=C(C)[C@H](NCc1[nH]c(C)c(C)[nH+]1)c1ccc(F)c(F)c1 ZINC000582857114 329281538 /nfs/dbraw/zinc/28/15/38/329281538.db2.gz INKNGPMFTPQDPF-INIZCTEOSA-N 1 2 291.345 3.712 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1nc(C)c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000582857114 329281540 /nfs/dbraw/zinc/28/15/40/329281540.db2.gz INKNGPMFTPQDPF-INIZCTEOSA-N 1 2 291.345 3.712 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000187144052 329353620 /nfs/dbraw/zinc/35/36/20/329353620.db2.gz IDVKLPSLXVSOIC-UHFFFAOYSA-N 1 2 280.824 3.539 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000187144052 329353621 /nfs/dbraw/zinc/35/36/21/329353621.db2.gz IDVKLPSLXVSOIC-UHFFFAOYSA-N 1 2 280.824 3.539 20 30 CHEDLO CCOc1ccc(C#N)cc1NCc1ccc(C)[nH+]c1C ZINC000187726294 329362990 /nfs/dbraw/zinc/36/29/90/329362990.db2.gz BVKFLWRLSXCFON-UHFFFAOYSA-N 1 2 281.359 3.581 20 30 CHEDLO C=C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000264427975 330061601 /nfs/dbraw/zinc/06/16/01/330061601.db2.gz BWEXIAJHDYQPDW-UHFFFAOYSA-N 1 2 289.766 3.542 20 30 CHEDLO C=CC[N@@H+](Cc1nccn1C(C)C)Cc1ccccc1 ZINC000264558229 330061740 /nfs/dbraw/zinc/06/17/40/330061740.db2.gz UEUMVGBYTVPGAD-UHFFFAOYSA-N 1 2 269.392 3.652 20 30 CHEDLO C=CC[N@H+](Cc1nccn1C(C)C)Cc1ccccc1 ZINC000264558229 330061741 /nfs/dbraw/zinc/06/17/41/330061741.db2.gz UEUMVGBYTVPGAD-UHFFFAOYSA-N 1 2 269.392 3.652 20 30 CHEDLO C=CCN(Cc1[nH+]ccn1C(C)C)Cc1ccccc1 ZINC000264558229 330061742 /nfs/dbraw/zinc/06/17/42/330061742.db2.gz UEUMVGBYTVPGAD-UHFFFAOYSA-N 1 2 269.392 3.652 20 30 CHEDLO C#CC[C@H]([NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000271549188 330081231 /nfs/dbraw/zinc/08/12/31/330081231.db2.gz RWIYIPVWEYDNSL-JSGCOSHPSA-N 1 2 256.374 3.558 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271730904 330081947 /nfs/dbraw/zinc/08/19/47/330081947.db2.gz OZYQLTLQVAVNMK-SECBINFHSA-N 1 2 284.190 3.630 20 30 CHEDLO C=C(C)C[N@H+](Cc1ncc(C)o1)Cc1ccccc1 ZINC000279378156 330122998 /nfs/dbraw/zinc/12/29/98/330122998.db2.gz SMDBVQAYSIEMSP-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ncc(C)o1)Cc1ccccc1 ZINC000279378156 330123000 /nfs/dbraw/zinc/12/30/00/330123000.db2.gz SMDBVQAYSIEMSP-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(CO)ccc1F ZINC000528341023 330319582 /nfs/dbraw/zinc/31/95/82/330319582.db2.gz WGXYTBQFCRZUGA-UHFFFAOYSA-N 1 2 291.391 3.568 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(CO)ccc1F ZINC000528341023 330319583 /nfs/dbraw/zinc/31/95/83/330319583.db2.gz WGXYTBQFCRZUGA-UHFFFAOYSA-N 1 2 291.391 3.568 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)cc1F ZINC000084862691 330363122 /nfs/dbraw/zinc/36/31/22/330363122.db2.gz MPWKOBATYGLYBR-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)cc1F ZINC000084862691 330363123 /nfs/dbraw/zinc/36/31/23/330363123.db2.gz MPWKOBATYGLYBR-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000536933632 330367016 /nfs/dbraw/zinc/36/70/16/330367016.db2.gz HARWOQXQTFXVKT-HNNXBMFYSA-N 1 2 297.345 3.628 20 30 CHEDLO C=C(CC)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000536933632 330367017 /nfs/dbraw/zinc/36/70/17/330367017.db2.gz HARWOQXQTFXVKT-HNNXBMFYSA-N 1 2 297.345 3.628 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)c(C)s1)Cc1cccc(C#N)c1 ZINC000088587057 330377983 /nfs/dbraw/zinc/37/79/83/330377983.db2.gz XXFKAXHWAHHNGG-UHFFFAOYSA-N 1 2 297.427 3.820 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)c(C)s1)Cc1cccc(C#N)c1 ZINC000088587057 330377984 /nfs/dbraw/zinc/37/79/84/330377984.db2.gz XXFKAXHWAHHNGG-UHFFFAOYSA-N 1 2 297.427 3.820 20 30 CHEDLO N#CC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000057872990 330379211 /nfs/dbraw/zinc/37/92/11/330379211.db2.gz AGFSESLPUGMGBE-UHFFFAOYSA-N 1 2 275.421 3.536 20 30 CHEDLO C=CCN(CC1CCCCC1)C(=O)Nc1cc[nH+]cc1C ZINC000120951453 330393624 /nfs/dbraw/zinc/39/36/24/330393624.db2.gz XGTKSEQQWOKFGX-UHFFFAOYSA-N 1 2 287.407 3.990 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000121386390 330399767 /nfs/dbraw/zinc/39/97/67/330399767.db2.gz LAKXVVNHGJWRTP-UHFFFAOYSA-N 1 2 258.390 3.736 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000121386390 330399768 /nfs/dbraw/zinc/39/97/68/330399768.db2.gz LAKXVVNHGJWRTP-UHFFFAOYSA-N 1 2 258.390 3.736 20 30 CHEDLO C=C[C@@H](CC(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452335870 331062759 /nfs/dbraw/zinc/06/27/59/331062759.db2.gz SCXRQHXKDIOTJQ-AWEZNQCLSA-N 1 2 295.386 3.518 20 30 CHEDLO Cc1cc2[nH+]cn(CCOc3cccc(C#N)c3)c2cc1C ZINC000195577869 331179000 /nfs/dbraw/zinc/17/90/00/331179000.db2.gz UPWIBCIRJFRSJB-UHFFFAOYSA-N 1 2 291.354 3.604 20 30 CHEDLO Cc1cc(F)c(C[NH+]2CCC(C)(C#N)CC2)c(Cl)c1 ZINC000459455861 331282152 /nfs/dbraw/zinc/28/21/52/331282152.db2.gz DLRWCTQFTYMCPG-UHFFFAOYSA-N 1 2 280.774 3.913 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000464543256 331362224 /nfs/dbraw/zinc/36/22/24/331362224.db2.gz AUVSILCEXKUZDU-MRXNPFEDSA-N 1 2 288.435 3.622 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000464543256 331362225 /nfs/dbraw/zinc/36/22/25/331362225.db2.gz AUVSILCEXKUZDU-MRXNPFEDSA-N 1 2 288.435 3.622 20 30 CHEDLO Cc1cccn2cc(CNc3ccc(C#N)cc3Cl)[nH+]c12 ZINC000486549934 331939381 /nfs/dbraw/zinc/93/93/81/331939381.db2.gz OZCHJJRSGSCHQG-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000489576239 332059887 /nfs/dbraw/zinc/05/98/87/332059887.db2.gz DEHCKIDNGGLPGT-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000489576239 332059888 /nfs/dbraw/zinc/05/98/88/332059888.db2.gz DEHCKIDNGGLPGT-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C)cn1)c1ccc(Cl)cc1 ZINC000491754148 332329230 /nfs/dbraw/zinc/32/92/30/332329230.db2.gz RKHGLYYXKNLXEO-MRXNPFEDSA-N 1 2 270.763 3.508 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000492147584 332384580 /nfs/dbraw/zinc/38/45/80/332384580.db2.gz GCDIFKGLVAELRU-UHFFFAOYSA-N 1 2 290.313 3.794 20 30 CHEDLO CC(C)CCn1cccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000517545247 333101831 /nfs/dbraw/zinc/10/18/31/333101831.db2.gz KOLYDSKPODEEOF-HNNXBMFYSA-N 1 2 273.424 3.658 20 30 CHEDLO CC(C)CCn1cccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000517545247 333101833 /nfs/dbraw/zinc/10/18/33/333101833.db2.gz KOLYDSKPODEEOF-HNNXBMFYSA-N 1 2 273.424 3.658 20 30 CHEDLO C=CCC[C@H](C(=O)Nc1c[nH+]ccc1OC)c1ccccc1 ZINC000188852851 333174829 /nfs/dbraw/zinc/17/48/29/333174829.db2.gz TYAXAZAUNZURPE-HNNXBMFYSA-N 1 2 296.370 3.779 20 30 CHEDLO N#CCc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237835311 333381688 /nfs/dbraw/zinc/38/16/88/333381688.db2.gz PGCYBFJJOYOXGQ-UHFFFAOYSA-N 1 2 288.354 3.550 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)c(C)s1)Cc1ccccc1 ZINC000081648874 334202176 /nfs/dbraw/zinc/20/21/76/334202176.db2.gz OUXSBHNKKZUSLW-UHFFFAOYSA-N 1 2 272.417 3.948 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)c(C)s1)Cc1ccccc1 ZINC000081648874 334202177 /nfs/dbraw/zinc/20/21/77/334202177.db2.gz OUXSBHNKKZUSLW-UHFFFAOYSA-N 1 2 272.417 3.948 20 30 CHEDLO C[N@H+](Cc1ccc(-c2ccccc2)o1)CC(C)(C)C#N ZINC000552085683 334287418 /nfs/dbraw/zinc/28/74/18/334287418.db2.gz IPUMCMWPPBIRIO-UHFFFAOYSA-N 1 2 268.360 3.928 20 30 CHEDLO C[N@@H+](Cc1ccc(-c2ccccc2)o1)CC(C)(C)C#N ZINC000552085683 334287419 /nfs/dbraw/zinc/28/74/19/334287419.db2.gz IPUMCMWPPBIRIO-UHFFFAOYSA-N 1 2 268.360 3.928 20 30 CHEDLO N#C[C@@H]1CC[C@H]([NH2+]CC(F)(F)c2ccc(Cl)cc2)C1 ZINC000552097690 334289304 /nfs/dbraw/zinc/28/93/04/334289304.db2.gz KGZCKBXWMMODTP-MFKMUULPSA-N 1 2 284.737 3.714 20 30 CHEDLO Cc1cc(N2CCC(c3ccccc3F)CC2)c(C#N)c[nH+]1 ZINC000565770602 334595215 /nfs/dbraw/zinc/59/52/15/334595215.db2.gz ARIAYMPWRVYCTR-UHFFFAOYSA-N 1 2 295.361 3.785 20 30 CHEDLO N#Cc1cccc(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000269429607 334724578 /nfs/dbraw/zinc/72/45/78/334724578.db2.gz PCEKJEGKBSGTBT-UHFFFAOYSA-N 1 2 292.386 3.556 20 30 CHEDLO C[C@@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccc(F)cc1 ZINC000577179954 335317243 /nfs/dbraw/zinc/31/72/43/335317243.db2.gz SWGNMFIMSSJBTN-BBRMVZONSA-N 1 2 274.383 3.943 20 30 CHEDLO C[C@@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccc(F)cc1 ZINC000577179954 335317245 /nfs/dbraw/zinc/31/72/45/335317245.db2.gz SWGNMFIMSSJBTN-BBRMVZONSA-N 1 2 274.383 3.943 20 30 CHEDLO N#Cc1csc(C[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000177705802 335380254 /nfs/dbraw/zinc/38/02/54/335380254.db2.gz FFQRJYJROFQBTH-UHFFFAOYSA-N 1 2 295.367 3.565 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1c(F)cccc1Cl ZINC000177713204 335380714 /nfs/dbraw/zinc/38/07/14/335380714.db2.gz JLPQXQYSIFERLF-SECBINFHSA-N 1 2 278.714 3.795 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000181588541 335772197 /nfs/dbraw/zinc/77/21/97/335772197.db2.gz VDVNNCFNAPNZOD-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1Cl ZINC000352810127 533941514 /nfs/dbraw/zinc/94/15/14/533941514.db2.gz LRHSGQIPCQMPHR-QMMMGPOBSA-N 1 2 295.770 3.658 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(Cl)c1 ZINC000352855677 533942063 /nfs/dbraw/zinc/94/20/63/533942063.db2.gz UTYCTHAESSWFBI-QMMMGPOBSA-N 1 2 295.770 3.658 20 30 CHEDLO C[N@H+](Cc1ncc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000280040137 523575414 /nfs/dbraw/zinc/57/54/14/523575414.db2.gz ZFKQHOHRZJPJQF-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[N@@H+](Cc1ncc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000280040137 523575429 /nfs/dbraw/zinc/57/54/29/523575429.db2.gz ZFKQHOHRZJPJQF-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H](c2ccccc2)CO1 ZINC000130936058 524989964 /nfs/dbraw/zinc/98/99/64/524989964.db2.gz LXHYOFZWZLCQLT-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@H](c2ccccc2)CO1 ZINC000130936058 524989974 /nfs/dbraw/zinc/98/99/74/524989974.db2.gz LXHYOFZWZLCQLT-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)o1 ZINC000130121021 526609564 /nfs/dbraw/zinc/60/95/64/526609564.db2.gz UFZLZNPPNLJFHF-UHFFFAOYSA-N 1 2 288.297 3.594 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)o1 ZINC000130121021 526609570 /nfs/dbraw/zinc/60/95/70/526609570.db2.gz UFZLZNPPNLJFHF-UHFFFAOYSA-N 1 2 288.297 3.594 20 30 CHEDLO C=CCCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000344474540 527229406 /nfs/dbraw/zinc/22/94/06/527229406.db2.gz HGELOXQHTGRSFO-UHFFFAOYSA-N 1 2 296.370 3.878 20 30 CHEDLO CCOc1cccc(C[N@H+](CCC#N)CC(CC)CC)n1 ZINC000353422912 528644181 /nfs/dbraw/zinc/64/41/81/528644181.db2.gz PVLWBLQYHNXNNA-UHFFFAOYSA-N 1 2 289.423 3.632 20 30 CHEDLO CCOc1cccc(C[N@@H+](CCC#N)CC(CC)CC)n1 ZINC000353422912 528644184 /nfs/dbraw/zinc/64/41/84/528644184.db2.gz PVLWBLQYHNXNNA-UHFFFAOYSA-N 1 2 289.423 3.632 20 30 CHEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000356051766 528881836 /nfs/dbraw/zinc/88/18/36/528881836.db2.gz HIEMZPCXMYHGBP-UHFFFAOYSA-N 1 2 291.807 3.690 20 30 CHEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000356051766 528881838 /nfs/dbraw/zinc/88/18/38/528881838.db2.gz HIEMZPCXMYHGBP-UHFFFAOYSA-N 1 2 291.807 3.690 20 30 CHEDLO C=CCCCC[N@@H+]1CCN(C2CCCCC2)[C@@H](C)C1 ZINC001209208183 1118012535 /nfs/dbraw/zinc/01/25/35/1118012535.db2.gz LQNIKNUMOCOUPX-INIZCTEOSA-N 1 2 264.457 3.682 20 30 CHEDLO C=CCCCC[N@H+]1CCN(C2CCCCC2)[C@@H](C)C1 ZINC001209208183 1118012540 /nfs/dbraw/zinc/01/25/40/1118012540.db2.gz LQNIKNUMOCOUPX-INIZCTEOSA-N 1 2 264.457 3.682 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)s1 ZINC000049800841 1118228069 /nfs/dbraw/zinc/22/80/69/1118228069.db2.gz WJWFSDWDFYARPL-UHFFFAOYSA-N 1 2 256.802 3.773 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)s1 ZINC000049800841 1118228075 /nfs/dbraw/zinc/22/80/75/1118228075.db2.gz WJWFSDWDFYARPL-UHFFFAOYSA-N 1 2 256.802 3.773 20 30 CHEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1C(F)(F)F ZINC000414370688 1120003188 /nfs/dbraw/zinc/00/31/88/1120003188.db2.gz LJRARXVUOBNLRX-SNVBAGLBSA-N 1 2 270.298 3.605 20 30 CHEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1C(F)(F)F ZINC000414370688 1120003191 /nfs/dbraw/zinc/00/31/91/1120003191.db2.gz LJRARXVUOBNLRX-SNVBAGLBSA-N 1 2 270.298 3.605 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H]1CCc2c1cccc2Cl ZINC000428847362 1120494282 /nfs/dbraw/zinc/49/42/82/1120494282.db2.gz GCPRDKLEDHDRMO-OAHLLOKOSA-N 1 2 260.768 3.729 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H]1CCc2c1cccc2Cl ZINC000428847362 1120494286 /nfs/dbraw/zinc/49/42/86/1120494286.db2.gz GCPRDKLEDHDRMO-OAHLLOKOSA-N 1 2 260.768 3.729 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCCCC(F)(F)F ZINC000853393982 1123438829 /nfs/dbraw/zinc/43/88/29/1123438829.db2.gz FRNBXUSLBXXFKG-UHFFFAOYSA-N 1 2 286.297 3.628 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(C)ccc1OCC ZINC001139603982 1131620630 /nfs/dbraw/zinc/62/06/30/1131620630.db2.gz LXRATMXHYQGWFS-UHFFFAOYSA-N 1 2 274.408 3.910 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(C)ccc1OCC ZINC001139603982 1131620632 /nfs/dbraw/zinc/62/06/32/1131620632.db2.gz LXRATMXHYQGWFS-UHFFFAOYSA-N 1 2 274.408 3.910 20 30 CHEDLO Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@H]2C#N)cc1 ZINC001171678012 1132077239 /nfs/dbraw/zinc/07/72/39/1132077239.db2.gz AKLHRZOKDPCXDS-DOTOQJQBSA-N 1 2 256.393 3.694 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001233178351 1132578093 /nfs/dbraw/zinc/57/80/93/1132578093.db2.gz LEFSKZJNKUDMPD-JTQLQIEISA-N 1 2 288.338 3.893 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001233178351 1132578097 /nfs/dbraw/zinc/57/80/97/1132578097.db2.gz LEFSKZJNKUDMPD-JTQLQIEISA-N 1 2 288.338 3.893 20 30 CHEDLO CC/C=C\CCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208190353 1133902867 /nfs/dbraw/zinc/90/28/67/1133902867.db2.gz NOKBWPQXXJIYIO-ABCZVMIZSA-N 1 2 279.449 3.787 20 30 CHEDLO CC/C=C\CCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208190353 1133902871 /nfs/dbraw/zinc/90/28/71/1133902871.db2.gz NOKBWPQXXJIYIO-ABCZVMIZSA-N 1 2 279.449 3.787 20 30 CHEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1nccs1 ZINC000090665217 1125744188 /nfs/dbraw/zinc/74/41/88/1125744188.db2.gz GVPFTCHOEOMFSW-JSGCOSHPSA-N 1 2 271.389 3.839 20 30 CHEDLO CO[C@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287746 1126731191 /nfs/dbraw/zinc/73/11/91/1126731191.db2.gz QARVPLGWJMSJJS-MLGOLLRUSA-N 1 2 292.810 3.652 20 30 CHEDLO CO[C@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287746 1126731194 /nfs/dbraw/zinc/73/11/94/1126731194.db2.gz QARVPLGWJMSJJS-MLGOLLRUSA-N 1 2 292.810 3.652 20 30 CHEDLO CN(C)c1cc(-c2ccc(C(C)(C)C#N)cc2)cc[nH+]1 ZINC000904848349 1126879594 /nfs/dbraw/zinc/87/95/94/1126879594.db2.gz BZAFIUNOLLXGAK-UHFFFAOYSA-N 1 2 265.360 3.616 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)ccc1C#N ZINC000488221128 1127063922 /nfs/dbraw/zinc/06/39/22/1127063922.db2.gz VFLDGJIPEGADER-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)ccc1C#N ZINC000488221128 1127063926 /nfs/dbraw/zinc/06/39/26/1127063926.db2.gz VFLDGJIPEGADER-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000271123580 1127069248 /nfs/dbraw/zinc/06/92/48/1127069248.db2.gz JFKAMEXOOZMAKF-VIFPVBQESA-N 1 2 288.725 3.533 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000271123580 1127069252 /nfs/dbraw/zinc/06/92/52/1127069252.db2.gz JFKAMEXOOZMAKF-VIFPVBQESA-N 1 2 288.725 3.533 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCCc3ccccc32)c1 ZINC000912962647 1127117264 /nfs/dbraw/zinc/11/72/64/1127117264.db2.gz XGAKDOHUZSLYFX-OOWUWCJESA-N 1 2 295.382 3.940 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)s1 ZINC000151395230 1127133604 /nfs/dbraw/zinc/13/36/04/1127133604.db2.gz CJVUFUOJHIKHNK-AATRIKPKSA-N 1 2 282.368 3.909 20 30 CHEDLO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000349758634 1127159518 /nfs/dbraw/zinc/15/95/18/1127159518.db2.gz NJHUPLKZZNTXHW-HZPDHXFCSA-N 1 2 282.391 3.506 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816503538 1131101734 /nfs/dbraw/zinc/10/17/34/1131101734.db2.gz BPMYQAIXHKXRIJ-UHFFFAOYSA-N 1 2 298.789 3.946 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816503538 1131101736 /nfs/dbraw/zinc/10/17/36/1131101736.db2.gz BPMYQAIXHKXRIJ-UHFFFAOYSA-N 1 2 298.789 3.946 20 30 CHEDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000589500113 1127223582 /nfs/dbraw/zinc/22/35/82/1127223582.db2.gz YCUSLBNNADESBU-HNNXBMFYSA-N 1 2 283.400 3.524 20 30 CHEDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589500113 1127223584 /nfs/dbraw/zinc/22/35/84/1127223584.db2.gz YCUSLBNNADESBU-HNNXBMFYSA-N 1 2 283.400 3.524 20 30 CHEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)ccc1F ZINC000352836062 1127246106 /nfs/dbraw/zinc/24/61/06/1127246106.db2.gz LUWCXLYRRJQJAU-CYBMUJFWSA-N 1 2 293.342 3.534 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000052440143 1127284462 /nfs/dbraw/zinc/28/44/62/1127284462.db2.gz LYQQCZNSARAZBS-LLVKDONJSA-N 1 2 254.171 3.588 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000052440143 1127284463 /nfs/dbraw/zinc/28/44/63/1127284463.db2.gz LYQQCZNSARAZBS-LLVKDONJSA-N 1 2 254.171 3.588 20 30 CHEDLO C#C[C@@H](C)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000166497073 1127286031 /nfs/dbraw/zinc/28/60/31/1127286031.db2.gz QBOXNIIYHULYSY-SSDOTTSWSA-N 1 2 262.567 3.758 20 30 CHEDLO Cc1c(Cl)ccc(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC001238518344 1131212798 /nfs/dbraw/zinc/21/27/98/1131212798.db2.gz QJMLPCFVWWADBI-UHFFFAOYSA-N 1 2 280.774 3.913 20 30 CHEDLO N#Cc1cnccc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000592061066 1127332831 /nfs/dbraw/zinc/33/28/31/1127332831.db2.gz QVLSCOCCUGRWBU-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1cnccc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000592061066 1127332834 /nfs/dbraw/zinc/33/28/34/1127332834.db2.gz QVLSCOCCUGRWBU-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2ccncc2C#N)C2CC2)cc1C ZINC000592072480 1127334942 /nfs/dbraw/zinc/33/49/42/1127334942.db2.gz MTNUZYUYSZQHJE-UHFFFAOYSA-N 1 2 291.398 3.735 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2ccncc2C#N)C2CC2)cc1C ZINC000592072480 1127334947 /nfs/dbraw/zinc/33/49/47/1127334947.db2.gz MTNUZYUYSZQHJE-UHFFFAOYSA-N 1 2 291.398 3.735 20 30 CHEDLO CC(C)[N@H+](Cc1ccncc1C#N)[C@@H](C)c1ccsc1 ZINC000592125477 1127337056 /nfs/dbraw/zinc/33/70/56/1127337056.db2.gz YVHGRTXUUCTVJS-ZDUSSCGKSA-N 1 2 285.416 3.986 20 30 CHEDLO CC(C)[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1ccsc1 ZINC000592125477 1127337059 /nfs/dbraw/zinc/33/70/59/1127337059.db2.gz YVHGRTXUUCTVJS-ZDUSSCGKSA-N 1 2 285.416 3.986 20 30 CHEDLO C=C(C)CCc1noc([C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000289319584 1127381007 /nfs/dbraw/zinc/38/10/07/1127381007.db2.gz YHNMXVKKTSAYFR-INIZCTEOSA-N 1 2 285.391 3.619 20 30 CHEDLO C=C(C)CCc1noc([C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000289319584 1127381009 /nfs/dbraw/zinc/38/10/09/1127381009.db2.gz YHNMXVKKTSAYFR-INIZCTEOSA-N 1 2 285.391 3.619 20 30 CHEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2)s1)C1CC1 ZINC000357524754 1127391081 /nfs/dbraw/zinc/39/10/81/1127391081.db2.gz CHZBLYNSIMULSC-UHFFFAOYSA-N 1 2 270.401 3.961 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2)s1)C1CC1 ZINC000357524754 1127391084 /nfs/dbraw/zinc/39/10/84/1127391084.db2.gz CHZBLYNSIMULSC-UHFFFAOYSA-N 1 2 270.401 3.961 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCC1 ZINC000593654971 1127392994 /nfs/dbraw/zinc/39/29/94/1127392994.db2.gz SWCVKKYJWFIOFW-GFCCVEGCSA-N 1 2 294.320 3.765 20 30 CHEDLO N#Cc1ccc(CNc2c[nH+]cc3c2CCCC3)c(F)c1 ZINC000594743603 1127431047 /nfs/dbraw/zinc/43/10/47/1127431047.db2.gz SRJGKUQXDYWREW-UHFFFAOYSA-N 1 2 281.334 3.583 20 30 CHEDLO CC(C)([NH2+]Cc1ncc(Cl)s1)c1cccc(C#N)c1 ZINC000594970571 1127437331 /nfs/dbraw/zinc/43/73/31/1127437331.db2.gz YNSOKWBLGNSLDL-UHFFFAOYSA-N 1 2 291.807 3.693 20 30 CHEDLO N#CC1(C[NH2+]Cc2cccc(F)c2F)CCCCC1 ZINC000594981947 1127443062 /nfs/dbraw/zinc/44/30/62/1127443062.db2.gz WAMSJNMHZGOONW-UHFFFAOYSA-N 1 2 264.319 3.528 20 30 CHEDLO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCCCC1 ZINC000594981470 1127443286 /nfs/dbraw/zinc/44/32/86/1127443286.db2.gz QUOJYBOZARXPPJ-UHFFFAOYSA-N 1 2 294.402 3.640 20 30 CHEDLO C=CCOCCCSCc1ccc(C)[nH+]c1C ZINC000359133050 1127450927 /nfs/dbraw/zinc/45/09/27/1127450927.db2.gz WKDYFZVZAHMEJX-UHFFFAOYSA-N 1 2 251.395 3.524 20 30 CHEDLO N#C[C@H]1CCC[C@@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000595096106 1127455550 /nfs/dbraw/zinc/45/55/50/1127455550.db2.gz VMKDHVNHBGFIRG-SMDDNHRTSA-N 1 2 282.309 3.589 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000595610216 1127470419 /nfs/dbraw/zinc/47/04/19/1127470419.db2.gz UAQOLABECHAJPM-AWEZNQCLSA-N 1 2 297.427 3.936 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000595610216 1127470420 /nfs/dbraw/zinc/47/04/20/1127470420.db2.gz UAQOLABECHAJPM-AWEZNQCLSA-N 1 2 297.427 3.936 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595703193 1127472562 /nfs/dbraw/zinc/47/25/62/1127472562.db2.gz LFKUSCQXAOPDCS-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595703193 1127472563 /nfs/dbraw/zinc/47/25/63/1127472563.db2.gz LFKUSCQXAOPDCS-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO CC[N@H+](CC1CCC(C(F)(F)F)CC1)[C@@H](C)C#N ZINC000595819539 1127476498 /nfs/dbraw/zinc/47/64/98/1127476498.db2.gz CQIRFPYGUJEOKP-UNXYVOJBSA-N 1 2 262.319 3.589 20 30 CHEDLO CC[N@@H+](CC1CCC(C(F)(F)F)CC1)[C@@H](C)C#N ZINC000595819539 1127476499 /nfs/dbraw/zinc/47/64/99/1127476499.db2.gz CQIRFPYGUJEOKP-UNXYVOJBSA-N 1 2 262.319 3.589 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230442 1127535745 /nfs/dbraw/zinc/53/57/45/1127535745.db2.gz GOPXTMOMVTVBKV-SFHVURJKSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230442 1127535749 /nfs/dbraw/zinc/53/57/49/1127535749.db2.gz GOPXTMOMVTVBKV-SFHVURJKSA-N 1 2 280.371 3.584 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000597231522 1127535975 /nfs/dbraw/zinc/53/59/75/1127535975.db2.gz ZICATKFQVLTCKL-GOSISDBHSA-N 1 2 284.403 3.526 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000597231522 1127535976 /nfs/dbraw/zinc/53/59/76/1127535976.db2.gz ZICATKFQVLTCKL-GOSISDBHSA-N 1 2 284.403 3.526 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000602704615 1127606935 /nfs/dbraw/zinc/60/69/35/1127606935.db2.gz BHIZMDRPZCGQFT-JTQLQIEISA-N 1 2 298.217 3.701 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000602704615 1127606938 /nfs/dbraw/zinc/60/69/38/1127606938.db2.gz BHIZMDRPZCGQFT-JTQLQIEISA-N 1 2 298.217 3.701 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CC(C)(C)C#N ZINC000602832523 1127616138 /nfs/dbraw/zinc/61/61/38/1127616138.db2.gz OKCLEFSZLUKMQL-UHFFFAOYSA-N 1 2 283.375 3.632 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)CC(C)(C)C#N ZINC000602832523 1127616141 /nfs/dbraw/zinc/61/61/41/1127616141.db2.gz OKCLEFSZLUKMQL-UHFFFAOYSA-N 1 2 283.375 3.632 20 30 CHEDLO N#CCC1(C[N@@H+](Cc2c(F)cccc2F)C2CC2)CC1 ZINC000602827738 1127616390 /nfs/dbraw/zinc/61/63/90/1127616390.db2.gz NTUCKIXHVRMIQY-UHFFFAOYSA-N 1 2 276.330 3.623 20 30 CHEDLO N#CCC1(C[N@H+](Cc2c(F)cccc2F)C2CC2)CC1 ZINC000602827738 1127616391 /nfs/dbraw/zinc/61/63/91/1127616391.db2.gz NTUCKIXHVRMIQY-UHFFFAOYSA-N 1 2 276.330 3.623 20 30 CHEDLO CCCc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000598674428 1127632484 /nfs/dbraw/zinc/63/24/84/1127632484.db2.gz XBEJJONJPCPGLM-GFCCVEGCSA-N 1 2 262.422 3.825 20 30 CHEDLO CCCc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000598674428 1127632487 /nfs/dbraw/zinc/63/24/87/1127632487.db2.gz XBEJJONJPCPGLM-GFCCVEGCSA-N 1 2 262.422 3.825 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC000593698581 1127661413 /nfs/dbraw/zinc/66/14/13/1127661413.db2.gz UWQDJGBYYGAUOY-UHFFFAOYSA-N 1 2 274.367 3.951 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC000593698581 1127661415 /nfs/dbraw/zinc/66/14/15/1127661415.db2.gz UWQDJGBYYGAUOY-UHFFFAOYSA-N 1 2 274.367 3.951 20 30 CHEDLO N#Cc1ccc(C2([NH2+]Cc3ncc(C4CC4)o3)CCC2)cc1 ZINC000594033547 1127774560 /nfs/dbraw/zinc/77/45/60/1127774560.db2.gz SBIKIIGJKAEAQS-UHFFFAOYSA-N 1 2 293.370 3.593 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccsc3)c[nH+]c12 ZINC000172692040 1127778157 /nfs/dbraw/zinc/77/81/57/1127778157.db2.gz UGQZRXGYBVKSEM-SNAWJCMRSA-N 1 2 268.341 3.600 20 30 CHEDLO CCc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000594610323 1127907564 /nfs/dbraw/zinc/90/75/64/1127907564.db2.gz BRRFAUQOIKZWCF-UHFFFAOYSA-N 1 2 268.385 3.698 20 30 CHEDLO CCc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000594610323 1127907565 /nfs/dbraw/zinc/90/75/65/1127907565.db2.gz BRRFAUQOIKZWCF-UHFFFAOYSA-N 1 2 268.385 3.698 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000544599984 1127978266 /nfs/dbraw/zinc/97/82/66/1127978266.db2.gz UYYIXSNZDNEEOP-ZDUSSCGKSA-N 1 2 268.335 3.742 20 30 CHEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1Cl ZINC000545220017 1128006694 /nfs/dbraw/zinc/00/66/94/1128006694.db2.gz VDQZMFIFKKMYDX-UHFFFAOYSA-N 1 2 271.751 3.722 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cc(C(C)C)no1)c1cccc(C#N)c1O ZINC000925069935 1128121082 /nfs/dbraw/zinc/12/10/82/1128121082.db2.gz YLNMAROUSWXFOX-OAHLLOKOSA-N 1 2 299.374 3.616 20 30 CHEDLO CC[C@H]([NH2+]Cc1cnc(C)cc1C)c1cccc(C#N)c1O ZINC000926552873 1128180133 /nfs/dbraw/zinc/18/01/33/1128180133.db2.gz ZBGLRLFKWFGORA-KRWDZBQOSA-N 1 2 295.386 3.517 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NC1(c2cccc(C)c2)COC1 ZINC001168471650 1128202742 /nfs/dbraw/zinc/20/27/42/1128202742.db2.gz PFPDHSPAMHWXOC-UHFFFAOYSA-N 1 2 294.398 3.765 20 30 CHEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cncc(C#N)c1 ZINC000930166934 1128303340 /nfs/dbraw/zinc/30/33/40/1128303340.db2.gz PAIRUYBPMIDUFC-STQMWFEESA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cncc(C#N)c1 ZINC000930166934 1128303344 /nfs/dbraw/zinc/30/33/44/1128303344.db2.gz PAIRUYBPMIDUFC-STQMWFEESA-N 1 2 295.361 3.600 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(C)cnc1F ZINC001235340490 1128325098 /nfs/dbraw/zinc/32/50/98/1128325098.db2.gz TXIAESPBSSUPOG-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C)cnc1F ZINC001235340490 1128325102 /nfs/dbraw/zinc/32/51/02/1128325102.db2.gz TXIAESPBSSUPOG-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO N#CCc1ccc[nH+]c1NCc1ccc(F)c(Cl)c1F ZINC001168503586 1128362791 /nfs/dbraw/zinc/36/27/91/1128362791.db2.gz RGFHVTXBZURWON-UHFFFAOYSA-N 1 2 293.704 3.691 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2cccc3ncccc32)s1 ZINC000915964833 1128401397 /nfs/dbraw/zinc/40/13/97/1128401397.db2.gz QORLOVJLSCZOOK-UHFFFAOYSA-N 1 2 296.399 3.808 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000039043265 1128448786 /nfs/dbraw/zinc/44/87/86/1128448786.db2.gz LYQQCZNSARAZBS-NSHDSACASA-N 1 2 254.171 3.588 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000039043265 1128448788 /nfs/dbraw/zinc/44/87/88/1128448788.db2.gz LYQQCZNSARAZBS-NSHDSACASA-N 1 2 254.171 3.588 20 30 CHEDLO C=CCC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000563217591 1128455284 /nfs/dbraw/zinc/45/52/84/1128455284.db2.gz NTODRFIFULRNRD-RDJZCZTQSA-N 1 2 297.402 3.658 20 30 CHEDLO Cc1ccc(C)c(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917027379 1128468550 /nfs/dbraw/zinc/46/85/50/1128468550.db2.gz IMBSPYREKCJURM-UHFFFAOYSA-N 1 2 290.370 3.935 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C(C)(C)C)no1 ZINC000065959539 1128470202 /nfs/dbraw/zinc/47/02/02/1128470202.db2.gz LPJJOZZBBDGHFN-UHFFFAOYSA-N 1 2 299.418 3.598 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C(C)(C)C)no1 ZINC000065959539 1128470204 /nfs/dbraw/zinc/47/02/04/1128470204.db2.gz LPJJOZZBBDGHFN-UHFFFAOYSA-N 1 2 299.418 3.598 20 30 CHEDLO C=CCOc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000674144014 1128501372 /nfs/dbraw/zinc/50/13/72/1128501372.db2.gz JFQOYYKOEXFGND-UHFFFAOYSA-N 1 2 281.346 3.919 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)nc1 ZINC000780555932 1128544941 /nfs/dbraw/zinc/54/49/41/1128544941.db2.gz KNRQJCFOGCQFLF-UHFFFAOYSA-N 1 2 292.169 3.550 20 30 CHEDLO N#CC1CCC(Cn2c[nH+]c(Cc3ccccc3)c2)CC1 ZINC000919157554 1128591971 /nfs/dbraw/zinc/59/19/71/1128591971.db2.gz XLKFMVBMPHMBJX-UHFFFAOYSA-N 1 2 279.387 3.804 20 30 CHEDLO C=CCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000569230594 1128602079 /nfs/dbraw/zinc/60/20/79/1128602079.db2.gz RUHBCNXIXVHPLP-UHFFFAOYSA-N 1 2 268.360 3.841 20 30 CHEDLO C[N@H+](CCC#N)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000155246204 1128603023 /nfs/dbraw/zinc/60/30/23/1128603023.db2.gz MXESDTJKZTZESB-CYBMUJFWSA-N 1 2 269.175 3.826 20 30 CHEDLO C[N@@H+](CCC#N)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000155246204 1128603024 /nfs/dbraw/zinc/60/30/24/1128603024.db2.gz MXESDTJKZTZESB-CYBMUJFWSA-N 1 2 269.175 3.826 20 30 CHEDLO CC[N@H+](CCC(C)(C)C#N)Cc1c(F)cccc1F ZINC000131406718 1128618088 /nfs/dbraw/zinc/61/80/88/1128618088.db2.gz UTWGVUYCTGECSG-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC[N@@H+](CCC(C)(C)C#N)Cc1c(F)cccc1F ZINC000131406718 1128618090 /nfs/dbraw/zinc/61/80/90/1128618090.db2.gz UTWGVUYCTGECSG-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC001212860714 1128655480 /nfs/dbraw/zinc/65/54/80/1128655480.db2.gz DNGHKSHQXFNSNH-CQSZACIVSA-N 1 2 267.376 3.906 20 30 CHEDLO Fc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)c1 ZINC000920384380 1128679120 /nfs/dbraw/zinc/67/91/20/1128679120.db2.gz SQPNGDPDKGVRTA-UHFFFAOYSA-N 1 2 287.338 3.855 20 30 CHEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CC=CCC2)c(O)c1 ZINC000920990842 1128697022 /nfs/dbraw/zinc/69/70/22/1128697022.db2.gz GAHBMSJTDDMYGA-KAECEXQPSA-N 1 2 259.349 3.566 20 30 CHEDLO C=CCOc1ccc(C[N@H+](C)Cc2csc(C)n2)cc1 ZINC000072556435 1117762708 /nfs/dbraw/zinc/76/27/08/1117762708.db2.gz CDPHOVWLHWZZFP-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO C=CCOc1ccc(C[N@@H+](C)Cc2csc(C)n2)cc1 ZINC000072556435 1117762713 /nfs/dbraw/zinc/76/27/13/1117762713.db2.gz CDPHOVWLHWZZFP-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000127035453 1117908890 /nfs/dbraw/zinc/90/88/90/1117908890.db2.gz CPFDLBQMZNBRCU-UHFFFAOYSA-N 1 2 298.733 3.602 20 30 CHEDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000036335388 1117916522 /nfs/dbraw/zinc/91/65/22/1117916522.db2.gz NPVBADTUAVYFJR-ZDUSSCGKSA-N 1 2 265.360 3.797 20 30 CHEDLO CCOC(C)(C)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209077448 1117993760 /nfs/dbraw/zinc/99/37/60/1117993760.db2.gz LVFIZLJTFWOUKE-UHFFFAOYSA-N 1 2 294.826 3.871 20 30 CHEDLO CCOC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209077448 1117993764 /nfs/dbraw/zinc/99/37/64/1117993764.db2.gz LVFIZLJTFWOUKE-UHFFFAOYSA-N 1 2 294.826 3.871 20 30 CHEDLO CCCc1cc(N2CC[C@](F)(C#N)C2)c2ccccc2[nH+]1 ZINC000615527047 1128752407 /nfs/dbraw/zinc/75/24/07/1128752407.db2.gz UCOGMJWDXDUBFW-KRWDZBQOSA-N 1 2 283.350 3.629 20 30 CHEDLO C=C(C)c1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000890888482 1118167681 /nfs/dbraw/zinc/16/76/81/1118167681.db2.gz DGMPEXFORCEOGB-CYBMUJFWSA-N 1 2 269.348 3.506 20 30 CHEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000615837631 1118286000 /nfs/dbraw/zinc/28/60/00/1118286000.db2.gz PHDVFMAMKYJLMR-DZXKJOIRSA-N 1 2 299.374 3.624 20 30 CHEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000615837631 1118286003 /nfs/dbraw/zinc/28/60/03/1118286003.db2.gz PHDVFMAMKYJLMR-DZXKJOIRSA-N 1 2 299.374 3.624 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ccn1 ZINC000671724641 1118311287 /nfs/dbraw/zinc/31/12/87/1118311287.db2.gz SVDAVRJIULRMEY-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ccn1 ZINC000671724641 1118311291 /nfs/dbraw/zinc/31/12/91/1118311291.db2.gz SVDAVRJIULRMEY-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000186256574 1118403280 /nfs/dbraw/zinc/40/32/80/1118403280.db2.gz LHRZBSXRCBEKGY-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000186256574 1118403281 /nfs/dbraw/zinc/40/32/81/1118403281.db2.gz LHRZBSXRCBEKGY-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207112175 1118474284 /nfs/dbraw/zinc/47/42/84/1118474284.db2.gz GWRKBUWXXMMLRE-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207112175 1118474285 /nfs/dbraw/zinc/47/42/85/1118474285.db2.gz GWRKBUWXXMMLRE-NSHDSACASA-N 1 2 298.308 3.553 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192600 1118483379 /nfs/dbraw/zinc/48/33/79/1118483379.db2.gz JBWPBTBPJZAKKH-HOTGVXAUSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192600 1118483382 /nfs/dbraw/zinc/48/33/82/1118483382.db2.gz JBWPBTBPJZAKKH-HOTGVXAUSA-N 1 2 274.795 3.953 20 30 CHEDLO O=C1c2ccccc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000255324719 1118622738 /nfs/dbraw/zinc/62/27/38/1118622738.db2.gz XKIGLTVTFYFLAT-OWBHPGMISA-N 1 2 274.323 3.547 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(C)s1)[C@H]1CCc2ccccc21 ZINC000180445640 1128793848 /nfs/dbraw/zinc/79/38/48/1128793848.db2.gz CZUMYQYUQJJBSK-INIZCTEOSA-N 1 2 282.412 3.574 20 30 CHEDLO C#CC[N@H+](Cc1ncc(C)s1)[C@H]1CCc2ccccc21 ZINC000180445640 1128793849 /nfs/dbraw/zinc/79/38/49/1128793849.db2.gz CZUMYQYUQJJBSK-INIZCTEOSA-N 1 2 282.412 3.574 20 30 CHEDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000130094504 1118687686 /nfs/dbraw/zinc/68/76/86/1118687686.db2.gz OYYCOGCUEMXRHH-KRWDZBQOSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000130094504 1118687688 /nfs/dbraw/zinc/68/76/88/1118687688.db2.gz OYYCOGCUEMXRHH-KRWDZBQOSA-N 1 2 283.350 3.675 20 30 CHEDLO CCC[N@H+](Cc1nccn1C1CC1)Cc1ccc(C#N)cc1 ZINC000891652204 1118731337 /nfs/dbraw/zinc/73/13/37/1118731337.db2.gz DYNJEJALKROXTR-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO CCC[N@@H+](Cc1nccn1C1CC1)Cc1ccc(C#N)cc1 ZINC000891652204 1118731342 /nfs/dbraw/zinc/73/13/42/1118731342.db2.gz DYNJEJALKROXTR-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccccc3)n2c1 ZINC000255385250 1118738751 /nfs/dbraw/zinc/73/87/51/1118738751.db2.gz FUTLKRNTZBWLLT-HJWRWDBZSA-N 1 2 262.312 3.539 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616764587 1128799744 /nfs/dbraw/zinc/79/97/44/1128799744.db2.gz WYVHFTMFHMOKNB-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616764587 1128799747 /nfs/dbraw/zinc/79/97/47/1128799747.db2.gz WYVHFTMFHMOKNB-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000891805349 1118784780 /nfs/dbraw/zinc/78/47/80/1118784780.db2.gz HYJOYOKUQKXGDP-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000891805349 1118784783 /nfs/dbraw/zinc/78/47/83/1118784783.db2.gz HYJOYOKUQKXGDP-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO CC(C)OC(=O)CCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000588467479 1118876438 /nfs/dbraw/zinc/87/64/38/1118876438.db2.gz LSTASQAIZHBKGN-UNOMPAQXSA-N 1 2 299.370 3.696 20 30 CHEDLO NC(Cc1ccccc1)=[NH+]OCc1c(F)cccc1Cl ZINC000071939163 1118974950 /nfs/dbraw/zinc/97/49/50/1118974950.db2.gz AANIINQPNIRUHY-UHFFFAOYSA-N 1 2 292.741 3.511 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000892193810 1119017787 /nfs/dbraw/zinc/01/77/87/1119017787.db2.gz HHXMBNOJDOTGRM-JTQLQIEISA-N 1 2 282.309 3.887 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000892193810 1119017790 /nfs/dbraw/zinc/01/77/90/1119017790.db2.gz HHXMBNOJDOTGRM-JTQLQIEISA-N 1 2 282.309 3.887 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1ccc(Cl)nc1C(F)(F)F ZINC000934461503 1119078311 /nfs/dbraw/zinc/07/83/11/1119078311.db2.gz MSBRHCUGYCGMNV-JTQLQIEISA-N 1 2 290.716 3.904 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nc1C(F)(F)F ZINC000934461503 1119078316 /nfs/dbraw/zinc/07/83/16/1119078316.db2.gz MSBRHCUGYCGMNV-JTQLQIEISA-N 1 2 290.716 3.904 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000934469204 1119081394 /nfs/dbraw/zinc/08/13/94/1119081394.db2.gz QKLRPLKWLMEXLR-SNVBAGLBSA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000934469204 1119081398 /nfs/dbraw/zinc/08/13/98/1119081398.db2.gz QKLRPLKWLMEXLR-SNVBAGLBSA-N 1 2 257.164 3.539 20 30 CHEDLO N#Cc1ccccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089129 1119374836 /nfs/dbraw/zinc/37/48/36/1119374836.db2.gz VPLZPJUSPIPYOJ-UHFFFAOYSA-N 1 2 260.300 3.692 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(F)c(F)c1 ZINC000178943505 1119390399 /nfs/dbraw/zinc/39/03/99/1119390399.db2.gz PFBJGKODOMBAFS-FNORWQNLSA-N 1 2 284.265 3.509 20 30 CHEDLO CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000926524231 1119405149 /nfs/dbraw/zinc/40/51/49/1119405149.db2.gz MELRXTRWGIPXKL-TZMCWYRMSA-N 1 2 294.345 3.740 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000584098682 1119475958 /nfs/dbraw/zinc/47/59/58/1119475958.db2.gz GKCGWXRUKKXODS-UHFFFAOYSA-N 1 2 285.435 3.722 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000584098682 1119475961 /nfs/dbraw/zinc/47/59/61/1119475961.db2.gz GKCGWXRUKKXODS-UHFFFAOYSA-N 1 2 285.435 3.722 20 30 CHEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCC1(F)F ZINC000685590980 1119635769 /nfs/dbraw/zinc/63/57/69/1119635769.db2.gz JTEMEPZVUCPLCI-GFCCVEGCSA-N 1 2 283.749 3.669 20 30 CHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCC1(F)F ZINC000685590980 1119635770 /nfs/dbraw/zinc/63/57/70/1119635770.db2.gz JTEMEPZVUCPLCI-GFCCVEGCSA-N 1 2 283.749 3.669 20 30 CHEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1C/[NH+]=C\c1ccccc1O ZINC000255630151 1119663757 /nfs/dbraw/zinc/66/37/57/1119663757.db2.gz ZHJGOPMNJGFVEC-UAGIMAPYSA-N 1 2 275.392 3.652 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(F)cc3F)c[nH+]c12 ZINC000255648012 1119686283 /nfs/dbraw/zinc/68/62/83/1119686283.db2.gz NZYBXRRHCCUMCX-ALCCZGGFSA-N 1 2 298.292 3.817 20 30 CHEDLO CCc1cc(N2CCC[C@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000612108720 1119700919 /nfs/dbraw/zinc/70/09/19/1119700919.db2.gz RMRNGXVNSDFDGV-GOSISDBHSA-N 1 2 279.387 3.927 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)c(F)c(C)c1 ZINC000901479664 1128865453 /nfs/dbraw/zinc/86/54/53/1128865453.db2.gz HUXCWVJERIYNRW-AATRIKPKSA-N 1 2 272.323 3.555 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000612406086 1119783624 /nfs/dbraw/zinc/78/36/24/1119783624.db2.gz IBNLBOMZKHKGOW-ZENLRNHISA-N 1 2 274.795 3.979 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000612406086 1119783625 /nfs/dbraw/zinc/78/36/25/1119783625.db2.gz IBNLBOMZKHKGOW-ZENLRNHISA-N 1 2 274.795 3.979 20 30 CHEDLO O=C1c2ccccc2SC/C1=C\c1cccc2[nH+]ccn21 ZINC000180309710 1119980070 /nfs/dbraw/zinc/98/00/70/1119980070.db2.gz ZIXNNUBIOJKXNM-ZRDIBKRKSA-N 1 2 292.363 3.706 20 30 CHEDLO C[C@H](CCc1ccccc1)/[NH+]=C\c1ccccc1O ZINC000103010739 1120020172 /nfs/dbraw/zinc/02/01/72/1120020172.db2.gz VCYKLZPEKINGBD-VVTMIQRTSA-N 1 2 253.345 3.832 20 30 CHEDLO C[C@@H](CCc1ccccc1)/[NH+]=C\c1ccccc1O ZINC000103010737 1120020619 /nfs/dbraw/zinc/02/06/19/1120020619.db2.gz VCYKLZPEKINGBD-RVAQLADHSA-N 1 2 253.345 3.832 20 30 CHEDLO CC#CCCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921661285 1120058001 /nfs/dbraw/zinc/05/80/01/1120058001.db2.gz IOUTUOQFAUUHQC-UHFFFAOYSA-N 1 2 295.386 3.826 20 30 CHEDLO C[N@H+](Cc1csc(Br)c1)[C@H]1CCC[C@H]1C#N ZINC000250242749 1120203024 /nfs/dbraw/zinc/20/30/24/1120203024.db2.gz RTAFSCCLZXSBHR-QWRGUYRKSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1csc(Br)c1)[C@H]1CCC[C@H]1C#N ZINC000250242749 1120203025 /nfs/dbraw/zinc/20/30/25/1120203025.db2.gz RTAFSCCLZXSBHR-QWRGUYRKSA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1cccc(C#N)c1 ZINC000921803568 1120220496 /nfs/dbraw/zinc/22/04/96/1120220496.db2.gz XEXIWMWDZYDQIC-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO CCCc1csc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000341215825 1120246787 /nfs/dbraw/zinc/24/67/87/1120246787.db2.gz RIIRWWUSDHYSEZ-UHFFFAOYSA-N 1 2 297.427 3.746 20 30 CHEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCCc2ccccc21 ZINC000584561738 1120282317 /nfs/dbraw/zinc/28/23/17/1120282317.db2.gz XICLTFLBOJTLRO-OAHLLOKOSA-N 1 2 283.400 3.524 20 30 CHEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCCc2ccccc21 ZINC000584561738 1120282319 /nfs/dbraw/zinc/28/23/19/1120282319.db2.gz XICLTFLBOJTLRO-OAHLLOKOSA-N 1 2 283.400 3.524 20 30 CHEDLO C=C(Br)C[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178374295 1120480228 /nfs/dbraw/zinc/48/02/28/1120480228.db2.gz KPTKIPUJMHDESB-NSHDSACASA-N 1 2 284.197 3.684 20 30 CHEDLO C=C(Br)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178374295 1120480231 /nfs/dbraw/zinc/48/02/31/1120480231.db2.gz KPTKIPUJMHDESB-NSHDSACASA-N 1 2 284.197 3.684 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000260164511 1120519476 /nfs/dbraw/zinc/51/94/76/1120519476.db2.gz ROPWFMBZQPMFHI-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000260164511 1120519481 /nfs/dbraw/zinc/51/94/81/1120519481.db2.gz ROPWFMBZQPMFHI-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO Cc1ccc2[nH+]ccc(N(C)CC(C)(C)C#N)c2c1 ZINC000432159474 1120657914 /nfs/dbraw/zinc/65/79/14/1120657914.db2.gz URKQVWSMNKWGRC-UHFFFAOYSA-N 1 2 253.349 3.529 20 30 CHEDLO C=CC[C@@H]1[N@@H+](Cc2noc(C3CCC3)n2)CCCC1(C)C ZINC000625375553 1120674180 /nfs/dbraw/zinc/67/41/80/1120674180.db2.gz SMDDGUXDXKOSEH-AWEZNQCLSA-N 1 2 289.423 3.904 20 30 CHEDLO C=CC[C@@H]1[N@H+](Cc2noc(C3CCC3)n2)CCCC1(C)C ZINC000625375553 1120674182 /nfs/dbraw/zinc/67/41/82/1120674182.db2.gz SMDDGUXDXKOSEH-AWEZNQCLSA-N 1 2 289.423 3.904 20 30 CHEDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162909983 1120696186 /nfs/dbraw/zinc/69/61/86/1120696186.db2.gz DDLSHPUIAVYALD-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162909983 1120696189 /nfs/dbraw/zinc/69/61/89/1120696189.db2.gz DDLSHPUIAVYALD-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1cc(F)c(C[NH2+]CC2(C#N)CCCCC2)c(F)c1 ZINC000594980947 1120771467 /nfs/dbraw/zinc/77/14/67/1120771467.db2.gz DLSMMIMFPBAQEL-UHFFFAOYSA-N 1 2 278.346 3.837 20 30 CHEDLO CC[C@H](C)c1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901542455 1128940727 /nfs/dbraw/zinc/94/07/27/1128940727.db2.gz DYNJKXCRQDYFDV-LXKVQUBZSA-N 1 2 268.360 3.830 20 30 CHEDLO Cc1cc(CNc2ccc(CC#N)cc2)c2c([nH+]1)CCCC2 ZINC000893575717 1120940846 /nfs/dbraw/zinc/94/08/46/1120940846.db2.gz IXJVTBKNYISBJA-UHFFFAOYSA-N 1 2 291.398 3.947 20 30 CHEDLO C=CCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000543561017 1121051478 /nfs/dbraw/zinc/05/14/78/1121051478.db2.gz TYAYNOBSIOYSLN-UHFFFAOYSA-N 1 2 284.172 3.522 20 30 CHEDLO C=CCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000543561017 1121051486 /nfs/dbraw/zinc/05/14/86/1121051486.db2.gz TYAYNOBSIOYSLN-UHFFFAOYSA-N 1 2 284.172 3.522 20 30 CHEDLO CN(C)c1ccc(Nc2c(C#N)oc3ccccc32)c[nH+]1 ZINC001175341555 1121272635 /nfs/dbraw/zinc/27/26/35/1121272635.db2.gz UWAUWSJBTRYXKL-UHFFFAOYSA-N 1 2 278.315 3.509 20 30 CHEDLO Cc1csc(Nc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC001175344484 1121273887 /nfs/dbraw/zinc/27/38/87/1121273887.db2.gz UYLBVASXDWIWOX-UHFFFAOYSA-N 1 2 284.388 3.667 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC001175346232 1121274635 /nfs/dbraw/zinc/27/46/35/1121274635.db2.gz PEPRTMICHSFTBV-UHFFFAOYSA-N 1 2 284.388 3.667 20 30 CHEDLO CC[N@H+](Cc1nc(C(C)C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741827 1121314666 /nfs/dbraw/zinc/31/46/66/1121314666.db2.gz UHVRJQSWAWJZCL-CYBMUJFWSA-N 1 2 298.390 3.648 20 30 CHEDLO CC[N@@H+](Cc1nc(C(C)C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741827 1121314673 /nfs/dbraw/zinc/31/46/73/1121314673.db2.gz UHVRJQSWAWJZCL-CYBMUJFWSA-N 1 2 298.390 3.648 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246691567 1121316861 /nfs/dbraw/zinc/31/68/61/1121316861.db2.gz ZPFUWBGHHUZSMD-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246691567 1121316868 /nfs/dbraw/zinc/31/68/68/1121316868.db2.gz ZPFUWBGHHUZSMD-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](c2ccccc2)O1 ZINC000070695016 1128996273 /nfs/dbraw/zinc/99/62/73/1128996273.db2.gz QQOBHXPKMRUZKM-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](c2ccccc2)O1 ZINC000070695016 1128996275 /nfs/dbraw/zinc/99/62/75/1128996275.db2.gz QQOBHXPKMRUZKM-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C=CCn1cc(Nc2c(C)cc[nH+]c2C(C)C)cn1 ZINC001176544657 1121640353 /nfs/dbraw/zinc/64/03/53/1121640353.db2.gz BRAIFNYCCVFLRE-UHFFFAOYSA-N 1 2 256.353 3.640 20 30 CHEDLO CC(C)COc1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000433311640 1121645844 /nfs/dbraw/zinc/64/58/44/1121645844.db2.gz NEOKCHYPMCYFIB-UHFFFAOYSA-N 1 2 274.408 3.703 20 30 CHEDLO CC(C)COc1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000433311640 1121645848 /nfs/dbraw/zinc/64/58/48/1121645848.db2.gz NEOKCHYPMCYFIB-UHFFFAOYSA-N 1 2 274.408 3.703 20 30 CHEDLO Cc1cc(C#N)ccc1COc1ccccc1-n1cc[nH+]c1 ZINC000614392133 1121705295 /nfs/dbraw/zinc/70/52/95/1121705295.db2.gz DEGPWRGBVMNUJT-UHFFFAOYSA-N 1 2 289.338 3.631 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280239490 1121881968 /nfs/dbraw/zinc/88/19/68/1121881968.db2.gz OVLLPAIPWCPHBV-QGZVFWFLSA-N 1 2 283.375 3.926 20 30 CHEDLO C=CCCC(C)(C)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000631684492 1129021985 /nfs/dbraw/zinc/02/19/85/1129021985.db2.gz SBQBLELYVHRRJC-CYBMUJFWSA-N 1 2 290.436 3.538 20 30 CHEDLO C=CC[N@H+](Cc1cccc2c1OCC2)Cc1ccccc1F ZINC001180174817 1121953988 /nfs/dbraw/zinc/95/39/88/1121953988.db2.gz OBIRTIIZQMJDKU-UHFFFAOYSA-N 1 2 297.373 3.949 20 30 CHEDLO C=CC[N@@H+](Cc1cccc2c1OCC2)Cc1ccccc1F ZINC001180174817 1121953995 /nfs/dbraw/zinc/95/39/95/1121953995.db2.gz OBIRTIIZQMJDKU-UHFFFAOYSA-N 1 2 297.373 3.949 20 30 CHEDLO N#Cc1cccc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774361945 1122156831 /nfs/dbraw/zinc/15/68/31/1122156831.db2.gz MKRNIPIODIIWQO-UHFFFAOYSA-N 1 2 276.343 3.580 20 30 CHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000271655665 1122170090 /nfs/dbraw/zinc/17/00/90/1122170090.db2.gz TVZSDLRGXHPXII-UHFFFAOYSA-N 1 2 258.340 3.547 20 30 CHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000271655665 1122170094 /nfs/dbraw/zinc/17/00/94/1122170094.db2.gz TVZSDLRGXHPXII-UHFFFAOYSA-N 1 2 258.340 3.547 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OCC ZINC001183312468 1122217686 /nfs/dbraw/zinc/21/76/86/1122217686.db2.gz KMXPNGTVLPQMTO-KBPBESRZSA-N 1 2 289.847 3.865 20 30 CHEDLO C#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1F ZINC001184967967 1122304297 /nfs/dbraw/zinc/30/42/97/1122304297.db2.gz HNBXTSMJIFDMKV-UHFFFAOYSA-N 1 2 281.334 3.546 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2onc(C(C)(C)C)c2C#N)c1 ZINC001203655852 1122423725 /nfs/dbraw/zinc/42/37/25/1122423725.db2.gz DLIMAHVIHXYOHX-UHFFFAOYSA-N 1 2 270.336 3.599 20 30 CHEDLO Cc1cn2c(cccc2Nc2cc(F)c(C#N)c(F)c2)[nH+]1 ZINC001203668849 1122444663 /nfs/dbraw/zinc/44/46/63/1122444663.db2.gz JQFRLFCBOIONFG-UHFFFAOYSA-N 1 2 284.269 3.536 20 30 CHEDLO N#CCC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440313992 1122837302 /nfs/dbraw/zinc/83/73/02/1122837302.db2.gz HZBGVKNGUIKWSJ-LBPRGKRZSA-N 1 2 299.201 3.750 20 30 CHEDLO N#CCC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440313992 1122837309 /nfs/dbraw/zinc/83/73/09/1122837309.db2.gz HZBGVKNGUIKWSJ-LBPRGKRZSA-N 1 2 299.201 3.750 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195305820 1122862681 /nfs/dbraw/zinc/86/26/81/1122862681.db2.gz GSIZVEMOOJAWOI-SJORKVTESA-N 1 2 254.377 3.763 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195305820 1122862684 /nfs/dbraw/zinc/86/26/84/1122862684.db2.gz GSIZVEMOOJAWOI-SJORKVTESA-N 1 2 254.377 3.763 20 30 CHEDLO C#CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000775727334 1122925000 /nfs/dbraw/zinc/92/50/00/1122925000.db2.gz BNJGNQCPOBGFMM-UHFFFAOYSA-N 1 2 281.758 3.563 20 30 CHEDLO C#CC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000775727334 1122925004 /nfs/dbraw/zinc/92/50/04/1122925004.db2.gz BNJGNQCPOBGFMM-UHFFFAOYSA-N 1 2 281.758 3.563 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001196727519 1122931395 /nfs/dbraw/zinc/93/13/95/1122931395.db2.gz FNRNPYFOOXQVRJ-GFCCVEGCSA-N 1 2 281.321 3.865 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001196727519 1122931400 /nfs/dbraw/zinc/93/14/00/1122931400.db2.gz FNRNPYFOOXQVRJ-GFCCVEGCSA-N 1 2 281.321 3.865 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cc2c(cccc2O)s1 ZINC000894834284 1122945289 /nfs/dbraw/zinc/94/52/89/1122945289.db2.gz BSEZKFOHPHOQDQ-UHFFFAOYSA-N 1 2 272.373 3.509 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cc2c(cccc2O)s1 ZINC000894834284 1122945292 /nfs/dbraw/zinc/94/52/92/1122945292.db2.gz BSEZKFOHPHOQDQ-UHFFFAOYSA-N 1 2 272.373 3.509 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001197620631 1122961238 /nfs/dbraw/zinc/96/12/38/1122961238.db2.gz AVYIFZONDLOHGY-ZDUSSCGKSA-N 1 2 262.784 3.508 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001197620631 1122961239 /nfs/dbraw/zinc/96/12/39/1122961239.db2.gz AVYIFZONDLOHGY-ZDUSSCGKSA-N 1 2 262.784 3.508 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000334340459 1122991616 /nfs/dbraw/zinc/99/16/16/1122991616.db2.gz MXLPCASCXLEWSY-UHFFFAOYSA-N 1 2 297.427 3.936 20 30 CHEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC001198526432 1122996122 /nfs/dbraw/zinc/99/61/22/1122996122.db2.gz SUXYPRDSXYUMAQ-HNNXBMFYSA-N 1 2 280.371 3.638 20 30 CHEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC001198526432 1122996126 /nfs/dbraw/zinc/99/61/26/1122996126.db2.gz SUXYPRDSXYUMAQ-HNNXBMFYSA-N 1 2 280.371 3.638 20 30 CHEDLO CC1(c2nc3ccccc3s2)CC[NH+](CCC#N)CC1 ZINC000334435494 1123015925 /nfs/dbraw/zinc/01/59/25/1123015925.db2.gz OYYNLDIQOQWFCL-UHFFFAOYSA-N 1 2 285.416 3.563 20 30 CHEDLO CC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000441156550 1123062874 /nfs/dbraw/zinc/06/28/74/1123062874.db2.gz QXLJTPRNALYXSB-CQSZACIVSA-N 1 2 279.836 3.519 20 30 CHEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000441156550 1123062876 /nfs/dbraw/zinc/06/28/76/1123062876.db2.gz QXLJTPRNALYXSB-CQSZACIVSA-N 1 2 279.836 3.519 20 30 CHEDLO C[C@H]1SCC[N@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441174438 1123064919 /nfs/dbraw/zinc/06/49/19/1123064919.db2.gz PDFZMJBFQDEXEQ-QWHCGFSZSA-N 1 2 279.836 3.517 20 30 CHEDLO C[C@H]1SCC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441174438 1123064923 /nfs/dbraw/zinc/06/49/23/1123064923.db2.gz PDFZMJBFQDEXEQ-QWHCGFSZSA-N 1 2 279.836 3.517 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2cc(F)cnc2C#N)cc1 ZINC001201491559 1123109657 /nfs/dbraw/zinc/10/96/57/1123109657.db2.gz POGIVIDGCTWQNP-UHFFFAOYSA-N 1 2 270.311 3.656 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(C#N)cc2C#N)cc1 ZINC001201504315 1123112104 /nfs/dbraw/zinc/11/21/04/1123112104.db2.gz FEFDMBPAHSUWDX-UHFFFAOYSA-N 1 2 276.343 3.994 20 30 CHEDLO Cc1cc(C)c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)c(C)[nH+]1 ZINC000328922007 1123114059 /nfs/dbraw/zinc/11/40/59/1123114059.db2.gz UEZAISKCRVCAPY-RNCFNFMXSA-N 1 2 274.364 3.600 20 30 CHEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2)s1)C1CCCC1 ZINC000155338085 1129101557 /nfs/dbraw/zinc/10/15/57/1129101557.db2.gz RJYHRKRNDNMSHU-UHFFFAOYSA-N 1 2 297.427 3.583 20 30 CHEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2)s1)C1CCCC1 ZINC000155338085 1129101560 /nfs/dbraw/zinc/10/15/60/1129101560.db2.gz RJYHRKRNDNMSHU-UHFFFAOYSA-N 1 2 297.427 3.583 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000183813919 1129105358 /nfs/dbraw/zinc/10/53/58/1129105358.db2.gz OWTPSGNDVAPFHG-LLVKDONJSA-N 1 2 274.751 3.849 20 30 CHEDLO COc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1C ZINC000428255517 1123330354 /nfs/dbraw/zinc/33/03/54/1123330354.db2.gz YDLMFRKKUAUJIW-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1C ZINC000428255517 1123330358 /nfs/dbraw/zinc/33/03/58/1123330358.db2.gz YDLMFRKKUAUJIW-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO C=CC(C)(C)CCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000851299952 1123346656 /nfs/dbraw/zinc/34/66/56/1123346656.db2.gz GVWJFNZFPDRCSG-UHFFFAOYSA-N 1 2 298.386 3.691 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000442903934 1123349443 /nfs/dbraw/zinc/34/94/43/1123349443.db2.gz UJAOOPSMHSIMGW-GFCCVEGCSA-N 1 2 281.359 3.617 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000442903934 1123349448 /nfs/dbraw/zinc/34/94/48/1123349448.db2.gz UJAOOPSMHSIMGW-GFCCVEGCSA-N 1 2 281.359 3.617 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC[C@H](SC)C1 ZINC000853386222 1123438792 /nfs/dbraw/zinc/43/87/92/1123438792.db2.gz YLTWDPPNBYCUSA-KGLIPLIRSA-N 1 2 290.432 3.570 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC1CCC(F)(F)CC1 ZINC000853460676 1123441807 /nfs/dbraw/zinc/44/18/07/1123441807.db2.gz NRIDUCHPQHVVQL-UHFFFAOYSA-N 1 2 294.345 3.864 20 30 CHEDLO CC(C)(C)c1ccc(C=NOCc2ccc[nH+]c2N)cc1 ZINC000853637556 1123444665 /nfs/dbraw/zinc/44/46/65/1123444665.db2.gz SDCFGVKLRBFWSG-UHFFFAOYSA-N 1 2 283.375 3.512 20 30 CHEDLO CCc1cc(N2CCC[C@@H](C#N)C2)c2ccccc2[nH+]1 ZINC000895650748 1123499666 /nfs/dbraw/zinc/49/96/66/1123499666.db2.gz NHFAHYWTETUJSF-ZDUSSCGKSA-N 1 2 265.360 3.537 20 30 CHEDLO CC(=[NH+]Nc1nc2ccccc2cc1C)c1ccc(N)cc1 ZINC000776782908 1123505826 /nfs/dbraw/zinc/50/58/26/1123505826.db2.gz NKINJMSTJSYPJJ-UHFFFAOYSA-N 1 2 290.370 3.962 20 30 CHEDLO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896504083 1123591179 /nfs/dbraw/zinc/59/11/79/1123591179.db2.gz BFPWYIALTCACCY-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896504083 1123591183 /nfs/dbraw/zinc/59/11/83/1123591183.db2.gz BFPWYIALTCACCY-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CCCCC1 ZINC000857914920 1123626667 /nfs/dbraw/zinc/62/66/67/1123626667.db2.gz QVTUUSPHWFLQIF-CYBMUJFWSA-N 1 2 289.810 3.786 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015719 1123629014 /nfs/dbraw/zinc/62/90/14/1123629014.db2.gz ZZHRLWXOBBGMPM-HNNXBMFYSA-N 1 2 292.810 3.555 20 30 CHEDLO C=C(Cl)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015719 1123629015 /nfs/dbraw/zinc/62/90/15/1123629015.db2.gz ZZHRLWXOBBGMPM-HNNXBMFYSA-N 1 2 292.810 3.555 20 30 CHEDLO CC(C)O[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308098 1123642506 /nfs/dbraw/zinc/64/25/06/1123642506.db2.gz YJYPGPCOYQPBOT-QAPCUYQASA-N 1 2 286.419 3.777 20 30 CHEDLO CC(C)O[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000428308098 1123642507 /nfs/dbraw/zinc/64/25/07/1123642507.db2.gz YJYPGPCOYQPBOT-QAPCUYQASA-N 1 2 286.419 3.777 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c(F)cc1Br ZINC000862326355 1123799867 /nfs/dbraw/zinc/79/98/67/1123799867.db2.gz MYQKKDRSELZCGF-NSHDSACASA-N 1 2 299.187 3.679 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nc(CC2CC2)no1)c1ccccc1 ZINC000639566612 1123865345 /nfs/dbraw/zinc/86/53/45/1123865345.db2.gz VPFMXMFOQHPHOR-INIZCTEOSA-N 1 2 297.402 3.819 20 30 CHEDLO C[C@@H]1COCC[C@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000794677968 1123926861 /nfs/dbraw/zinc/92/68/61/1123926861.db2.gz YSMWDGKRTOJUQA-JTTPLNKDSA-N 1 2 283.371 3.637 20 30 CHEDLO C=C1CC(C)(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C1 ZINC000864988803 1123953795 /nfs/dbraw/zinc/95/37/95/1123953795.db2.gz GSORLXPZYFTAEK-UHFFFAOYSA-N 1 2 295.386 3.988 20 30 CHEDLO C[N@H+](Cc1ccccc1Br)CC1(CC#N)CC1 ZINC000088259323 1123995912 /nfs/dbraw/zinc/99/59/12/1123995912.db2.gz WNLSAUBZEKENQW-UHFFFAOYSA-N 1 2 293.208 3.575 20 30 CHEDLO C[N@@H+](Cc1ccccc1Br)CC1(CC#N)CC1 ZINC000088259323 1123995915 /nfs/dbraw/zinc/99/59/15/1123995915.db2.gz WNLSAUBZEKENQW-UHFFFAOYSA-N 1 2 293.208 3.575 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc(C#N)cc1 ZINC000866241522 1124040786 /nfs/dbraw/zinc/04/07/86/1124040786.db2.gz AUAMMVQMJSKCTG-IWEFOYFVSA-N 1 2 296.345 3.681 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866249406 1124041935 /nfs/dbraw/zinc/04/19/35/1124041935.db2.gz JXZTWIIGQCQPIU-GTNSWQLSSA-N 1 2 296.345 3.741 20 30 CHEDLO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866339493 1124055081 /nfs/dbraw/zinc/05/50/81/1124055081.db2.gz KSJQXUUIDWWYDO-ONGXEEELSA-N 1 2 286.297 3.645 20 30 CHEDLO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cccc(C#N)c1O ZINC000866383773 1124059838 /nfs/dbraw/zinc/05/98/38/1124059838.db2.gz QXJXGPPPQABGQY-VQISRLSMSA-N 1 2 296.773 3.619 20 30 CHEDLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000444786181 1124064183 /nfs/dbraw/zinc/06/41/83/1124064183.db2.gz TXMXUFOEXQJUNJ-ZDUSSCGKSA-N 1 2 282.309 3.882 20 30 CHEDLO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000509656073 1124500739 /nfs/dbraw/zinc/50/07/39/1124500739.db2.gz FZBTZARSLHWSDK-OAHLLOKOSA-N 1 2 283.774 3.819 20 30 CHEDLO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000509656073 1124500749 /nfs/dbraw/zinc/50/07/49/1124500749.db2.gz FZBTZARSLHWSDK-OAHLLOKOSA-N 1 2 283.774 3.819 20 30 CHEDLO C[N@H+](Cc1cccc(O)c1)Cc1ccc(C#N)cc1Cl ZINC000526135674 1124512797 /nfs/dbraw/zinc/51/27/97/1124512797.db2.gz PUPMTWUOQKNESR-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(C#N)cc1Cl ZINC000526135674 1124512801 /nfs/dbraw/zinc/51/28/01/1124512801.db2.gz PUPMTWUOQKNESR-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000447924821 1124546909 /nfs/dbraw/zinc/54/69/09/1124546909.db2.gz XOAUIRBNNYMWJK-VSZNYVQBSA-N 1 2 290.451 3.740 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000447924821 1124546920 /nfs/dbraw/zinc/54/69/20/1124546920.db2.gz XOAUIRBNNYMWJK-VSZNYVQBSA-N 1 2 290.451 3.740 20 30 CHEDLO COc1c(C)c[nH+]c(CSCc2ccc(C#N)o2)c1C ZINC000871700389 1124629526 /nfs/dbraw/zinc/62/95/26/1124629526.db2.gz ICFGXWISJCUFRI-UHFFFAOYSA-N 1 2 288.372 3.605 20 30 CHEDLO CCCCNc1[nH+]c2ccccc2n1C[C@H](C#N)CCC#N ZINC000875933596 1124911723 /nfs/dbraw/zinc/91/17/23/1124911723.db2.gz PXMUVUXQLMZTNN-AWEZNQCLSA-N 1 2 295.390 3.692 20 30 CHEDLO Cc1cc(C)cc(CC[N@H+](CCC#N)Cc2cccnc2)c1 ZINC000876528474 1124959649 /nfs/dbraw/zinc/95/96/49/1124959649.db2.gz QKIXCFFHTQIXAT-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO Cc1cc(C)cc(CC[N@@H+](CCC#N)Cc2cccnc2)c1 ZINC000876528474 1124959655 /nfs/dbraw/zinc/95/96/55/1124959655.db2.gz QKIXCFFHTQIXAT-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)ccc(Br)c1F ZINC000877365073 1125023297 /nfs/dbraw/zinc/02/32/97/1125023297.db2.gz OBFBFTQSROZNKH-SNVBAGLBSA-N 1 2 299.187 3.679 20 30 CHEDLO C=CC(C)(C)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000878564758 1125162680 /nfs/dbraw/zinc/16/26/80/1125162680.db2.gz XBQUUGMZABDPOI-UHFFFAOYSA-N 1 2 269.348 3.618 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878727961 1125176062 /nfs/dbraw/zinc/17/60/62/1125176062.db2.gz GXIVQFOCLJIGFG-ZDUSSCGKSA-N 1 2 295.386 3.618 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878727961 1125176067 /nfs/dbraw/zinc/17/60/67/1125176067.db2.gz GXIVQFOCLJIGFG-ZDUSSCGKSA-N 1 2 295.386 3.618 20 30 CHEDLO C#CCCC[NH2+][C@@H](c1cccc(Cl)c1)C(F)F ZINC000880534838 1125277821 /nfs/dbraw/zinc/27/78/21/1125277821.db2.gz VOCKDIRORCPYSM-LBPRGKRZSA-N 1 2 257.711 3.649 20 30 CHEDLO CCOc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC000052164069 1125375003 /nfs/dbraw/zinc/37/50/03/1125375003.db2.gz KWIQOWHZLZFEQS-UHFFFAOYSA-N 1 2 280.371 3.589 20 30 CHEDLO CCOc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC000052164069 1125375004 /nfs/dbraw/zinc/37/50/04/1125375004.db2.gz KWIQOWHZLZFEQS-UHFFFAOYSA-N 1 2 280.371 3.589 20 30 CHEDLO CCOC(=O)C[C@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000089574581 1129240585 /nfs/dbraw/zinc/24/05/85/1129240585.db2.gz SCGYEPZNEAVGOD-HCZVKUGISA-N 1 2 299.370 3.554 20 30 CHEDLO C=C(Cl)CN1C[C@H](CC)[N@@H+](CC(=C)Cl)C[C@@H]1CC ZINC000246897751 1129341717 /nfs/dbraw/zinc/34/17/17/1129341717.db2.gz RITGXVUDRXODOM-KBPBESRZSA-N 1 2 291.266 3.666 20 30 CHEDLO C=C(Cl)CN1C[C@H](CC)[N@H+](CC(=C)Cl)C[C@@H]1CC ZINC000246897751 1129341719 /nfs/dbraw/zinc/34/17/19/1129341719.db2.gz RITGXVUDRXODOM-KBPBESRZSA-N 1 2 291.266 3.666 20 30 CHEDLO NC(=[NH+]OCc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000739899789 1129408900 /nfs/dbraw/zinc/40/89/00/1129408900.db2.gz TYGLTIINUMETMZ-UHFFFAOYSA-N 1 2 294.329 3.816 20 30 CHEDLO C=CC[N@@H+](C)Cc1cccc(Cl)c1Br ZINC001137621966 1131385891 /nfs/dbraw/zinc/38/58/91/1131385891.db2.gz WFULUKZIILCFIE-UHFFFAOYSA-N 1 2 274.589 3.720 20 30 CHEDLO C=CC[N@H+](C)Cc1cccc(Cl)c1Br ZINC001137621966 1131385894 /nfs/dbraw/zinc/38/58/94/1131385894.db2.gz WFULUKZIILCFIE-UHFFFAOYSA-N 1 2 274.589 3.720 20 30 CHEDLO Cc1cc(-c2ccc3cc(C#N)cnc3c2)cc(C)[nH+]1 ZINC001241993783 1129642623 /nfs/dbraw/zinc/64/26/23/1129642623.db2.gz CXLOVZXBVHYHPW-UHFFFAOYSA-N 1 2 259.312 3.785 20 30 CHEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000746457094 1129665152 /nfs/dbraw/zinc/66/51/52/1129665152.db2.gz XESBDOABHFEYLR-UHFFFAOYSA-N 1 2 290.819 3.919 20 30 CHEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000746457094 1129665154 /nfs/dbraw/zinc/66/51/54/1129665154.db2.gz XESBDOABHFEYLR-UHFFFAOYSA-N 1 2 290.819 3.919 20 30 CHEDLO N#CC12CCC(Nc3cc4cc[nH]c4c[nH+]3)(CC1)CC2 ZINC001169743327 1129751323 /nfs/dbraw/zinc/75/13/23/1129751323.db2.gz GIXJQSCEYSFJAF-UHFFFAOYSA-N 1 2 266.348 3.591 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2cc(OCC3CC3)cc[nH+]2)C1 ZINC001169947323 1129766608 /nfs/dbraw/zinc/76/66/08/1129766608.db2.gz XRRITRCQOMYTEW-UHFFFAOYSA-N 1 2 286.375 3.555 20 30 CHEDLO C#CC[N@H+](Cc1ccc(Cl)o1)Cc1ccc(F)cc1 ZINC000769145085 1129892964 /nfs/dbraw/zinc/89/29/64/1129892964.db2.gz AIOYYBGGWLFMTR-UHFFFAOYSA-N 1 2 277.726 3.708 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(Cl)o1)Cc1ccc(F)cc1 ZINC000769145085 1129892968 /nfs/dbraw/zinc/89/29/68/1129892968.db2.gz AIOYYBGGWLFMTR-UHFFFAOYSA-N 1 2 277.726 3.708 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137715831 1131406298 /nfs/dbraw/zinc/40/62/98/1131406298.db2.gz HZNITXAXCXAUCK-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137715831 1131406302 /nfs/dbraw/zinc/40/63/02/1131406302.db2.gz HZNITXAXCXAUCK-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO CCOC(=[NH2+])c1cccc(-c2cc(C#N)ccc2C)c1 ZINC001242542589 1129920253 /nfs/dbraw/zinc/92/02/53/1129920253.db2.gz GQHMOJJALJQNOS-UHFFFAOYSA-N 1 2 264.328 3.896 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/CCCc2ccccc2C1=O ZINC000901415632 1129922843 /nfs/dbraw/zinc/92/28/43/1129922843.db2.gz NLXRMJSBUFODAZ-UVTDQMKNSA-N 1 2 266.344 3.506 20 30 CHEDLO COc1ccc2c(c1)CC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901428039 1129924180 /nfs/dbraw/zinc/92/41/80/1129924180.db2.gz UMTJJGYHDSLZAA-ZSOIEALJSA-N 1 2 296.370 3.685 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c(C)c1 ZINC000901431939 1129925129 /nfs/dbraw/zinc/92/51/29/1129925129.db2.gz ZCDVUWOHTSDDFQ-SOFGYWHQSA-N 1 2 268.360 3.977 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C[C@H](C)c2ccccc2C1=O ZINC000901486664 1129929629 /nfs/dbraw/zinc/92/96/29/1129929629.db2.gz PBFVDUQETNJYAW-OQZOHAQUSA-N 1 2 266.344 3.677 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C[C@@H](C)c2ccsc2C1=O ZINC000901518560 1129933546 /nfs/dbraw/zinc/93/35/46/1129933546.db2.gz MDHUSMRDZLMAKL-UEUZTHOGSA-N 1 2 272.373 3.738 20 30 CHEDLO C#CCOc1ccccc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000770528233 1129950354 /nfs/dbraw/zinc/95/03/54/1129950354.db2.gz VUNBYQRFVWDQLX-UHFFFAOYSA-N 1 2 294.398 3.685 20 30 CHEDLO COc1cc(C)[nH+]c(CSCC2CCC(C#N)CC2)c1 ZINC000902354399 1130002977 /nfs/dbraw/zinc/00/29/77/1130002977.db2.gz MTYGYDTVEPYWJE-UHFFFAOYSA-N 1 2 290.432 3.962 20 30 CHEDLO N#CC1(CCCCO[NH+]=C(N)Cc2cccs2)CCC1 ZINC000902704838 1130041237 /nfs/dbraw/zinc/04/12/37/1130041237.db2.gz LXRFNTYLSJEUMX-UHFFFAOYSA-N 1 2 291.420 3.653 20 30 CHEDLO CC[C@@H]([NH2+]CC(F)(F)CC)c1cccc(C#N)c1 ZINC000903070815 1130108743 /nfs/dbraw/zinc/10/87/43/1130108743.db2.gz XPMZRWMGIVTGQF-CYBMUJFWSA-N 1 2 252.308 3.644 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cc(F)ccc1F ZINC000903108491 1130114670 /nfs/dbraw/zinc/11/46/70/1130114670.db2.gz TVQCJSRAUOLSTR-NSHDSACASA-N 1 2 264.319 3.699 20 30 CHEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Cl)c1O ZINC000787330865 1130144737 /nfs/dbraw/zinc/14/47/37/1130144737.db2.gz FJVUIHGIJBSTEH-MRXNPFEDSA-N 1 2 298.773 3.694 20 30 CHEDLO C[Si](C)(C)C#Cc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240213295 1130232677 /nfs/dbraw/zinc/23/26/77/1130232677.db2.gz BCABOZWPJCQNRN-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO N#CCc1c[nH]c2cccc(-c3ccc4[nH+]ccn4c3)c12 ZINC001240218434 1130237910 /nfs/dbraw/zinc/23/79/10/1130237910.db2.gz CVWWPETUYOMXNJ-UHFFFAOYSA-N 1 2 272.311 3.549 20 30 CHEDLO CCO[C@H](CC/[NH+]=C/c1cccc(O)c1O)C1CCCC1 ZINC000746817111 1130251910 /nfs/dbraw/zinc/25/19/10/1130251910.db2.gz WARMCCGGCODSBI-YAJBTMAUSA-N 1 2 291.391 3.502 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4cc(F)ccc4C3=O)n21 ZINC000749006356 1130256733 /nfs/dbraw/zinc/25/67/33/1130256733.db2.gz UBSGWKZLAIFECG-UKTHLTGXSA-N 1 2 292.313 3.604 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3cccc(C)n13)C2 ZINC000749005221 1130257155 /nfs/dbraw/zinc/25/71/55/1130257155.db2.gz IZUCOTFOTKDKJT-GDNBJRDFSA-N 1 2 288.350 3.774 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCc2cccc(C)c2)c1O ZINC000749103780 1130264493 /nfs/dbraw/zinc/26/44/93/1130264493.db2.gz BNAAYQOWKGANNM-UYRXBGFRSA-N 1 2 283.371 3.761 20 30 CHEDLO N#Cc1cc2ccc(-c3ccn4cc[nH+]c4c3)cc2cc1C#N ZINC001240512173 1130337690 /nfs/dbraw/zinc/33/76/90/1130337690.db2.gz QMXASNTYZSAOLP-UHFFFAOYSA-N 1 2 294.317 3.898 20 30 CHEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(F)(F)CC1 ZINC000793361534 1130546316 /nfs/dbraw/zinc/54/63/16/1130546316.db2.gz IZCPHPYIYYBVDE-UHFFFAOYSA-N 1 2 299.748 3.583 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1ccc(N)cc1C ZINC000758092145 1130596938 /nfs/dbraw/zinc/59/69/38/1130596938.db2.gz ZNWGRUVQWAQEEX-UHFFFAOYSA-N 1 2 275.302 3.692 20 30 CHEDLO Fc1ccc(CON=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000758142138 1130600215 /nfs/dbraw/zinc/60/02/15/1130600215.db2.gz BPUUMIWUHFCNAB-UHFFFAOYSA-N 1 2 295.317 3.562 20 30 CHEDLO CC(=[NH+]Nc1cc(C)ccc1F)c1ccc(N)cc1 ZINC000759654045 1130666848 /nfs/dbraw/zinc/66/68/48/1130666848.db2.gz ZKGXYCPOUPBKNO-UHFFFAOYSA-N 1 2 257.312 3.552 20 30 CHEDLO C#CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1Cl ZINC001234680874 1130672497 /nfs/dbraw/zinc/67/24/97/1130672497.db2.gz PAMMOVYUSBLRCH-UHFFFAOYSA-N 1 2 299.801 3.984 20 30 CHEDLO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1Cl ZINC001234680874 1130672499 /nfs/dbraw/zinc/67/24/99/1130672499.db2.gz PAMMOVYUSBLRCH-UHFFFAOYSA-N 1 2 299.801 3.984 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(Oc2cccnc2)cc1 ZINC001235124028 1130713491 /nfs/dbraw/zinc/71/34/91/1130713491.db2.gz ZNFTUIPOKKYQQD-UHFFFAOYSA-N 1 2 281.359 3.609 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(Oc2cccnc2)cc1 ZINC001235124028 1130713497 /nfs/dbraw/zinc/71/34/97/1130713497.db2.gz ZNFTUIPOKKYQQD-UHFFFAOYSA-N 1 2 281.359 3.609 20 30 CHEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1ccc(N)cc1Cl ZINC000782900792 1130790542 /nfs/dbraw/zinc/79/05/42/1130790542.db2.gz VUBDBJUQPARZAS-UHFFFAOYSA-N 1 2 284.750 3.630 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)o1 ZINC000783702363 1130849020 /nfs/dbraw/zinc/84/90/20/1130849020.db2.gz WZOANTFPUKFQSG-ARJAWSKDSA-N 1 2 284.340 3.731 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)o1 ZINC000783702364 1130849746 /nfs/dbraw/zinc/84/97/46/1130849746.db2.gz WZOANTFPUKFQSG-ONEGZZNKSA-N 1 2 284.340 3.731 20 30 CHEDLO CC(=[NH+]Nc1cccc(Cl)c1)c1cc(N)ccc1F ZINC000814693446 1130902298 /nfs/dbraw/zinc/90/22/98/1130902298.db2.gz PZDLJCYFKJSYRM-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO C=C(Br)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000699511466 1130909848 /nfs/dbraw/zinc/90/98/48/1130909848.db2.gz UJNKVQPOXZZQDJ-UHFFFAOYSA-N 1 2 268.198 3.726 20 30 CHEDLO C=C(Br)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000699511466 1130909854 /nfs/dbraw/zinc/90/98/54/1130909854.db2.gz UJNKVQPOXZZQDJ-UHFFFAOYSA-N 1 2 268.198 3.726 20 30 CHEDLO c1cc2c(s1)CCCC2=NNc1cc[nH+]c2ccccc12 ZINC000814841358 1130921880 /nfs/dbraw/zinc/92/18/80/1130921880.db2.gz NKDPAJCURYLIHV-UHFFFAOYSA-N 1 2 293.395 3.871 20 30 CHEDLO CCOC(=[NH2+])c1cccc(-c2cc(C#N)ccc2OC)c1 ZINC001236543666 1130970272 /nfs/dbraw/zinc/97/02/72/1130970272.db2.gz FCZBUGILDHZDFX-UHFFFAOYSA-N 1 2 280.327 3.596 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2sccc2nc1Cl ZINC001236866572 1131025859 /nfs/dbraw/zinc/02/58/59/1131025859.db2.gz JQYLVURZAMQKSI-UHFFFAOYSA-N 1 2 252.770 3.568 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2sccc2nc1Cl ZINC001236866572 1131025864 /nfs/dbraw/zinc/02/58/64/1131025864.db2.gz JQYLVURZAMQKSI-UHFFFAOYSA-N 1 2 252.770 3.568 20 30 CHEDLO Cc1ccc2c(c1)S/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000798232574 1131031428 /nfs/dbraw/zinc/03/14/28/1131031428.db2.gz XPIDLPSKACIZEY-GDNBJRDFSA-N 1 2 292.363 3.972 20 30 CHEDLO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(F)cc(F)c1O ZINC000799724952 1131105826 /nfs/dbraw/zinc/10/58/26/1131105826.db2.gz BSWIDZRIJCAHLJ-VOMCLLRMSA-N 1 2 294.345 3.651 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCc2ccc3[nH]ccc3c2)c1 ZINC000799742701 1131108107 /nfs/dbraw/zinc/10/81/07/1131108107.db2.gz GKESRLJWHKPXRA-XDHOZWIPSA-N 1 2 294.354 3.544 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CC2CCC(C#N)CC2)c(O)c1 ZINC000799742713 1131108136 /nfs/dbraw/zinc/10/81/36/1131108136.db2.gz GTYKCIHROGDOTA-UNOMPAQXSA-N 1 2 286.375 3.540 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)oc1C ZINC000799895393 1131113969 /nfs/dbraw/zinc/11/39/69/1131113969.db2.gz ATXPRFFLRUTHGM-WAYWQWQTSA-N 1 2 280.327 3.749 20 30 CHEDLO Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001237700278 1131130125 /nfs/dbraw/zinc/13/01/25/1131130125.db2.gz BQAJHLURAWGKHK-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001237700278 1131130126 /nfs/dbraw/zinc/13/01/26/1131130126.db2.gz BQAJHLURAWGKHK-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO FC(F)Oc1ccc(N[NH2+]C=CC(F)(F)F)cc1 ZINC000817326579 1131152667 /nfs/dbraw/zinc/15/26/67/1131152667.db2.gz RUHVXCZWVQXFQX-UHFFFAOYSA-N 1 2 268.185 3.638 20 30 CHEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1csc(Cl)c1 ZINC001117352089 1131186565 /nfs/dbraw/zinc/18/65/65/1131186565.db2.gz YZOHAYIXCDKUGP-WAYWQWQTSA-N 1 2 292.791 3.759 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)C2CCCC2)ncc1Cl ZINC001238418416 1131197551 /nfs/dbraw/zinc/19/75/51/1131197551.db2.gz ACLCTSMEHUNYAB-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)ncc1Cl ZINC001238418416 1131197552 /nfs/dbraw/zinc/19/75/52/1131197552.db2.gz ACLCTSMEHUNYAB-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO N#CCC1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143626466 1131521078 /nfs/dbraw/zinc/52/10/78/1131521078.db2.gz WKEZPOSKCRKVTB-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO N#Cc1cccc(Cl)c1C[NH+]1CC2(C1)CCCCC2 ZINC001143731184 1131528512 /nfs/dbraw/zinc/52/85/12/1131528512.db2.gz NHVNWORDMGFKHC-UHFFFAOYSA-N 1 2 274.795 3.978 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138836961 1131554546 /nfs/dbraw/zinc/55/45/46/1131554546.db2.gz UNWLLSQDUZEIEX-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138836961 1131554548 /nfs/dbraw/zinc/55/45/48/1131554548.db2.gz UNWLLSQDUZEIEX-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001139691982 1131630550 /nfs/dbraw/zinc/63/05/50/1131630550.db2.gz MCVSHHYNVFTKFQ-NSHDSACASA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001139691982 1131630552 /nfs/dbraw/zinc/63/05/52/1131630552.db2.gz MCVSHHYNVFTKFQ-NSHDSACASA-N 1 2 284.737 3.689 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1sc(Cl)nc1Cl ZINC001139959075 1131652440 /nfs/dbraw/zinc/65/24/40/1131652440.db2.gz NYIGGLFKYUUALM-UHFFFAOYSA-N 1 2 265.209 3.848 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1sc(Cl)nc1Cl ZINC001139959075 1131652444 /nfs/dbraw/zinc/65/24/44/1131652444.db2.gz NYIGGLFKYUUALM-UHFFFAOYSA-N 1 2 265.209 3.848 20 30 CHEDLO N#Cc1ccc2[nH]cc(C[N@H+]3Cc4ccc(F)cc4C3)c2c1 ZINC001140115255 1131665780 /nfs/dbraw/zinc/66/57/80/1131665780.db2.gz RWYIEPCDZMRLAS-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3Cc4ccc(F)cc4C3)c2c1 ZINC001140115255 1131665784 /nfs/dbraw/zinc/66/57/84/1131665784.db2.gz RWYIEPCDZMRLAS-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#CCC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144726866 1131692243 /nfs/dbraw/zinc/69/22/43/1131692243.db2.gz PABZYGLFBATVJY-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO C[C@@]1(F)CCCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600484 1131821578 /nfs/dbraw/zinc/82/15/78/1131821578.db2.gz LFHYIKSPECJDQR-OAHLLOKOSA-N 1 2 280.774 3.926 20 30 CHEDLO C[C@@]1(F)CCCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600484 1131821585 /nfs/dbraw/zinc/82/15/85/1131821585.db2.gz LFHYIKSPECJDQR-OAHLLOKOSA-N 1 2 280.774 3.926 20 30 CHEDLO C[C@]1(F)CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600836 1131821910 /nfs/dbraw/zinc/82/19/10/1131821910.db2.gz XBWUPTWCQDFHPL-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600836 1131821920 /nfs/dbraw/zinc/82/19/20/1131821920.db2.gz XBWUPTWCQDFHPL-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001140604204 1131824543 /nfs/dbraw/zinc/82/45/43/1131824543.db2.gz UJSXZSYRGMQOTC-UHFFFAOYSA-N 1 2 286.762 3.969 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001140604204 1131824547 /nfs/dbraw/zinc/82/45/47/1131824547.db2.gz UJSXZSYRGMQOTC-UHFFFAOYSA-N 1 2 286.762 3.969 20 30 CHEDLO C=C(C)C[N@@H+](Cc1occc1C(=O)OC)Cc1ccccc1 ZINC000348207394 1131908047 /nfs/dbraw/zinc/90/80/47/1131908047.db2.gz VWYUXSXRPDPKEZ-UHFFFAOYSA-N 1 2 299.370 3.645 20 30 CHEDLO C=C(C)C[N@H+](Cc1occc1C(=O)OC)Cc1ccccc1 ZINC000348207394 1131908050 /nfs/dbraw/zinc/90/80/50/1131908050.db2.gz VWYUXSXRPDPKEZ-UHFFFAOYSA-N 1 2 299.370 3.645 20 30 CHEDLO N#Cc1c(F)cc(C[N@H+](Cc2ccco2)C2CC2)cc1F ZINC001140757370 1131908518 /nfs/dbraw/zinc/90/85/18/1131908518.db2.gz ZYHTYGRMAURXJG-UHFFFAOYSA-N 1 2 288.297 3.594 20 30 CHEDLO N#Cc1c(F)cc(C[N@@H+](Cc2ccco2)C2CC2)cc1F ZINC001140757370 1131908522 /nfs/dbraw/zinc/90/85/22/1131908522.db2.gz ZYHTYGRMAURXJG-UHFFFAOYSA-N 1 2 288.297 3.594 20 30 CHEDLO Cc1nc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c(C)s1 ZINC000773030851 1131923551 /nfs/dbraw/zinc/92/35/51/1131923551.db2.gz VVCICAHXVAHMHJ-VIFPVBQESA-N 1 2 289.379 3.622 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(N(C)C)c[nH+]1 ZINC001171373421 1131925038 /nfs/dbraw/zinc/92/50/38/1131925038.db2.gz HEMALCDPLVBUQO-CQSZACIVSA-N 1 2 297.402 3.886 20 30 CHEDLO C[N@H+](Cc1cccc(F)c1)Cc1cccc(C#N)c1Cl ZINC001140808391 1131932487 /nfs/dbraw/zinc/93/24/87/1131932487.db2.gz RHZXXJVFJZDBHX-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C#N)c1Cl ZINC001140808391 1131932489 /nfs/dbraw/zinc/93/24/89/1131932489.db2.gz RHZXXJVFJZDBHX-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cccc(C)c1Br ZINC001141092258 1132010997 /nfs/dbraw/zinc/01/09/97/1132010997.db2.gz OCSRPUQSHHMYRH-UHFFFAOYSA-N 1 2 280.209 3.932 20 30 CHEDLO Cc1ccc(CC[C@@H](C)[NH2+][C@](C)(C#N)C(C)C)cc1 ZINC001171658218 1132069149 /nfs/dbraw/zinc/06/91/49/1132069149.db2.gz PQECARUUXNLXFF-NVXWUHKLSA-N 1 2 258.409 3.844 20 30 CHEDLO Cc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@@H]2C#N)cc1 ZINC001171678012 1132077230 /nfs/dbraw/zinc/07/72/30/1132077230.db2.gz AKLHRZOKDPCXDS-DOTOQJQBSA-N 1 2 256.393 3.694 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317366 1132081010 /nfs/dbraw/zinc/08/10/10/1132081010.db2.gz WVBROAGTQZKZBE-HNNXBMFYSA-N 1 2 296.345 3.963 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001141317366 1132081018 /nfs/dbraw/zinc/08/10/18/1132081018.db2.gz WVBROAGTQZKZBE-HNNXBMFYSA-N 1 2 296.345 3.963 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001172314597 1132156371 /nfs/dbraw/zinc/15/63/71/1132156371.db2.gz KSHFULBPGCLKHL-WFASDCNBSA-N 1 2 296.336 3.558 20 30 CHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001172314597 1132156374 /nfs/dbraw/zinc/15/63/74/1132156374.db2.gz KSHFULBPGCLKHL-WFASDCNBSA-N 1 2 296.336 3.558 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CC1(c2ccccc2)CC1 ZINC000839386581 1132203957 /nfs/dbraw/zinc/20/39/57/1132203957.db2.gz SZKOYISDBNCXTL-PDGQHHTCSA-N 1 2 251.329 3.543 20 30 CHEDLO C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141894415 1132264327 /nfs/dbraw/zinc/26/43/27/1132264327.db2.gz JQLWMSGQWFXFSO-LLVKDONJSA-N 1 2 293.208 3.695 20 30 CHEDLO C[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141894415 1132264333 /nfs/dbraw/zinc/26/43/33/1132264333.db2.gz JQLWMSGQWFXFSO-LLVKDONJSA-N 1 2 293.208 3.695 20 30 CHEDLO COCC[C@@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000840709457 1132272787 /nfs/dbraw/zinc/27/27/87/1132272787.db2.gz DGERSWYOKAJPIE-RNEAKCBISA-N 1 2 271.360 3.637 20 30 CHEDLO C#Cc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698323 1132377173 /nfs/dbraw/zinc/37/71/73/1132377173.db2.gz MQSWMJBLRGQKLN-UHFFFAOYSA-N 1 2 273.339 3.656 20 30 CHEDLO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231856016 1132378655 /nfs/dbraw/zinc/37/86/55/1132378655.db2.gz FZJQWGAVDIVSKX-UHFFFAOYSA-N 1 2 265.225 3.601 20 30 CHEDLO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231856016 1132378661 /nfs/dbraw/zinc/37/86/61/1132378661.db2.gz FZJQWGAVDIVSKX-UHFFFAOYSA-N 1 2 265.225 3.601 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112106 1132424543 /nfs/dbraw/zinc/42/45/43/1132424543.db2.gz OOGRNTQEYNAKSA-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112106 1132424555 /nfs/dbraw/zinc/42/45/55/1132424555.db2.gz OOGRNTQEYNAKSA-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(C#N)c(Cl)c1 ZINC001232117616 1132426528 /nfs/dbraw/zinc/42/65/28/1132426528.db2.gz DMFWJIJKSLMRLS-UHFFFAOYSA-N 1 2 275.783 3.727 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C#N)c(Cl)c1 ZINC001232117616 1132426531 /nfs/dbraw/zinc/42/65/31/1132426531.db2.gz DMFWJIJKSLMRLS-UHFFFAOYSA-N 1 2 275.783 3.727 20 30 CHEDLO C=CC[N@@H+](Cc1c(Cl)nccc1OC)C(C)(C)C ZINC001232159653 1132430539 /nfs/dbraw/zinc/43/05/39/1132430539.db2.gz LTVNQPFGGVNOCJ-UHFFFAOYSA-N 1 2 268.788 3.530 20 30 CHEDLO C=CC[N@H+](Cc1c(Cl)nccc1OC)C(C)(C)C ZINC001232159653 1132430544 /nfs/dbraw/zinc/43/05/44/1132430544.db2.gz LTVNQPFGGVNOCJ-UHFFFAOYSA-N 1 2 268.788 3.530 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cs1)CC2 ZINC001232277946 1132449428 /nfs/dbraw/zinc/44/94/28/1132449428.db2.gz FFMXBILRWFIJJN-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cs1)CC2 ZINC001232277946 1132449429 /nfs/dbraw/zinc/44/94/29/1132449429.db2.gz FFMXBILRWFIJJN-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(C#N)c1 ZINC001232967300 1132552933 /nfs/dbraw/zinc/55/29/33/1132552933.db2.gz HUDJYNIXDOUVDA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(C#N)c1 ZINC001232967300 1132552939 /nfs/dbraw/zinc/55/29/39/1132552939.db2.gz HUDJYNIXDOUVDA-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO COc1cc(Cl)cc(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001233003729 1132560437 /nfs/dbraw/zinc/56/04/37/1132560437.db2.gz SAVFKCIOEHYELW-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001233003729 1132560441 /nfs/dbraw/zinc/56/04/41/1132560441.db2.gz SAVFKCIOEHYELW-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO Fc1c(F)c(C[NH+]2CCC(S)CC2)ccc1Cl ZINC001233210351 1132580338 /nfs/dbraw/zinc/58/03/38/1132580338.db2.gz GESKLKSXNBREBA-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO Cc1ccc(Nc2cc(Cl)cc(C#N)c2)c(C)[nH+]1 ZINC001203375852 1132581232 /nfs/dbraw/zinc/58/12/32/1132581232.db2.gz CZCDXEITDCFZKB-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1ccc(Nc2c(F)cc(F)cc2C#N)c(C)[nH+]1 ZINC001203376762 1132691248 /nfs/dbraw/zinc/69/12/48/1132691248.db2.gz RPAZEGQUXPSAAB-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c(F)cc[nH+]c1NC(C)(C)c1ccc(C#N)cc1 ZINC001156430836 1132695893 /nfs/dbraw/zinc/69/58/93/1132695893.db2.gz PMBBYIFKPXMDET-UHFFFAOYSA-N 1 2 269.323 3.748 20 30 CHEDLO CCSc1cc[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001157055034 1132720149 /nfs/dbraw/zinc/72/01/49/1132720149.db2.gz IITZGRYTILDGNG-HAQNSBGRSA-N 1 2 261.394 3.688 20 30 CHEDLO Cc1ccc(Nc2ccc(C#N)c3ncccc23)c(C)[nH+]1 ZINC001203380125 1132749570 /nfs/dbraw/zinc/74/95/70/1132749570.db2.gz IKCHRIMXXREQFK-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)s2)nc(C(C)(C)C)[nH+]1 ZINC001159180150 1132813799 /nfs/dbraw/zinc/81/37/99/1132813799.db2.gz UAOWNDHBWHSQSQ-UHFFFAOYSA-N 1 2 286.404 3.628 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3cccc(C#N)n3)ccc21 ZINC001174381954 1132829026 /nfs/dbraw/zinc/82/90/26/1132829026.db2.gz SZOJKQMZVJCGFM-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO C#Cc1ccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cn1 ZINC001174382206 1132830022 /nfs/dbraw/zinc/83/00/22/1132830022.db2.gz DTUFNVBOWJXTIP-UHFFFAOYSA-N 1 2 276.343 3.737 20 30 CHEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1Cl ZINC001213030887 1132995638 /nfs/dbraw/zinc/99/56/38/1132995638.db2.gz VUTMSAQZWJAMEI-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO N#C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC001161718922 1133019043 /nfs/dbraw/zinc/01/90/43/1133019043.db2.gz WAVQIVLRVISAQO-GOSISDBHSA-N 1 2 288.354 3.608 20 30 CHEDLO C[C@@H]1CCCC[C@@H]1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162527965 1133088868 /nfs/dbraw/zinc/08/88/68/1133088868.db2.gz ZSAMSRBLMCUJPX-ZIAGYGMSSA-N 1 2 269.392 3.875 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1c2cc(C)ccc2NC1=O ZINC001162566579 1133092115 /nfs/dbraw/zinc/09/21/15/1133092115.db2.gz MIRJBSLHFAJWSB-INIZCTEOSA-N 1 2 293.370 3.532 20 30 CHEDLO C#C[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)c1ccc(F)cc1 ZINC001163363324 1133144913 /nfs/dbraw/zinc/14/49/13/1133144913.db2.gz KDXUETWMPURXDK-MRXNPFEDSA-N 1 2 295.361 3.589 20 30 CHEDLO C[C@@H]1CCC[C@H](C)N1c1[nH+]ccc2ccc(C#N)cc21 ZINC001163539750 1133157074 /nfs/dbraw/zinc/15/70/74/1133157074.db2.gz BWXGONYJLZYVOR-BETUJISGSA-N 1 2 265.360 3.874 20 30 CHEDLO N#Cc1ccc2c(c1)CCN(c1[nH+]ccc3ccccc31)C2 ZINC001164477431 1133221947 /nfs/dbraw/zinc/22/19/47/1133221947.db2.gz GIBTTWOMTNLVGC-UHFFFAOYSA-N 1 2 285.350 3.669 20 30 CHEDLO CC(C)(Nc1ccn2cc[nH+]c2c1)c1ccc(C#N)cc1 ZINC001165753217 1133250570 /nfs/dbraw/zinc/25/05/70/1133250570.db2.gz WFKONPQNCITNNR-UHFFFAOYSA-N 1 2 276.343 3.553 20 30 CHEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc(C(C)(C)C)[nH+]1 ZINC001166540076 1133269299 /nfs/dbraw/zinc/26/92/99/1133269299.db2.gz CFCJJIYNMDGFNF-UHFFFAOYSA-N 1 2 294.402 3.591 20 30 CHEDLO CNc1ccc(Nc2ccc(Cl)c(F)c2C#N)c[nH+]1 ZINC001203462086 1133330591 /nfs/dbraw/zinc/33/05/91/1133330591.db2.gz JBPRLSNWMDCFHR-UHFFFAOYSA-N 1 2 276.702 3.531 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C)CC#N)o1 ZINC001203521564 1133335116 /nfs/dbraw/zinc/33/51/16/1133335116.db2.gz HJQDFNCJNHPYTD-GFCCVEGCSA-N 1 2 272.323 3.786 20 30 CHEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001203521888 1133335650 /nfs/dbraw/zinc/33/56/50/1133335650.db2.gz LMRKDEWDRCWCOS-JTQLQIEISA-N 1 2 291.807 3.855 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(F)c(F)c(C#N)c2)c1 ZINC001203663544 1133347676 /nfs/dbraw/zinc/34/76/76/1133347676.db2.gz PDRYIYXGTPPFFM-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(F)c(F)cc2C#N)c1 ZINC001203667149 1133350702 /nfs/dbraw/zinc/35/07/02/1133350702.db2.gz IZRRXKNXOQZMRT-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001204169597 1133414721 /nfs/dbraw/zinc/41/47/21/1133414721.db2.gz XXERLMDZLREKEE-UHFFFAOYSA-N 1 2 264.372 3.911 20 30 CHEDLO Cc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001204169597 1133414722 /nfs/dbraw/zinc/41/47/22/1133414722.db2.gz XXERLMDZLREKEE-UHFFFAOYSA-N 1 2 264.372 3.911 20 30 CHEDLO Cc1nc[nH]c1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001204588121 1133463677 /nfs/dbraw/zinc/46/36/77/1133463677.db2.gz BIKLIHDLKQYYRT-UHFFFAOYSA-N 1 2 274.412 3.547 20 30 CHEDLO Cc1nc[nH]c1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001204588121 1133463678 /nfs/dbraw/zinc/46/36/78/1133463678.db2.gz BIKLIHDLKQYYRT-UHFFFAOYSA-N 1 2 274.412 3.547 20 30 CHEDLO N#Cc1ccc(Cl)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204983019 1133513165 /nfs/dbraw/zinc/51/31/65/1133513165.db2.gz LVPLGAOCYKPLAM-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc(F)c1F ZINC001205496578 1133583085 /nfs/dbraw/zinc/58/30/85/1133583085.db2.gz FDUUKRMYSVDDSM-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc(F)c1F ZINC001205496578 1133583089 /nfs/dbraw/zinc/58/30/89/1133583089.db2.gz FDUUKRMYSVDDSM-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=CCC[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OCC ZINC001205849330 1133621971 /nfs/dbraw/zinc/62/19/71/1133621971.db2.gz OTCGMECAKRBSEO-RDJZCZTQSA-N 1 2 289.419 3.668 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1ccc(F)cc1 ZINC001205980555 1133638382 /nfs/dbraw/zinc/63/83/82/1133638382.db2.gz OUJNULNTKYEWKU-MRXNPFEDSA-N 1 2 289.737 3.649 20 30 CHEDLO CCCCCCC[N@@H+](C)Cc1c(F)cncc1F ZINC001206859252 1133757396 /nfs/dbraw/zinc/75/73/96/1133757396.db2.gz XJRZIIJAKBPXIA-UHFFFAOYSA-N 1 2 256.340 3.762 20 30 CHEDLO CCCCCCC[N@H+](C)Cc1c(F)cncc1F ZINC001206859252 1133757392 /nfs/dbraw/zinc/75/73/92/1133757392.db2.gz XJRZIIJAKBPXIA-UHFFFAOYSA-N 1 2 256.340 3.762 20 30 CHEDLO N#CCC[N@H+](CCOCc1ccccc1)Cc1ccccc1 ZINC001207227903 1133781387 /nfs/dbraw/zinc/78/13/87/1133781387.db2.gz XCRJCLILLDVMHQ-UHFFFAOYSA-N 1 2 294.398 3.619 20 30 CHEDLO N#CCC[N@@H+](CCOCc1ccccc1)Cc1ccccc1 ZINC001207227903 1133781392 /nfs/dbraw/zinc/78/13/92/1133781392.db2.gz XCRJCLILLDVMHQ-UHFFFAOYSA-N 1 2 294.398 3.619 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC001209445243 1134024065 /nfs/dbraw/zinc/02/40/65/1134024065.db2.gz IABTWPZOMQYESL-KLZNEWFBSA-N 1 2 258.409 3.581 20 30 CHEDLO N#C[C@@H]1CCC[N@H+]1CCC12CC3CC(CC(C3)C1)C2 ZINC001209445243 1134024070 /nfs/dbraw/zinc/02/40/70/1134024070.db2.gz IABTWPZOMQYESL-KLZNEWFBSA-N 1 2 258.409 3.581 20 30 CHEDLO C=CC[N@@H+](C)Cc1c(Cl)cccc1OC(F)(F)F ZINC001209524611 1134034383 /nfs/dbraw/zinc/03/43/83/1134034383.db2.gz DKKHFVAJHCOHHU-UHFFFAOYSA-N 1 2 279.689 3.856 20 30 CHEDLO C=CC[N@H+](C)Cc1c(Cl)cccc1OC(F)(F)F ZINC001209524611 1134034389 /nfs/dbraw/zinc/03/43/89/1134034389.db2.gz DKKHFVAJHCOHHU-UHFFFAOYSA-N 1 2 279.689 3.856 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209726914 1134055429 /nfs/dbraw/zinc/05/54/29/1134055429.db2.gz USSMLZXICNLODS-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209726914 1134055436 /nfs/dbraw/zinc/05/54/36/1134055436.db2.gz USSMLZXICNLODS-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001210151954 1134157744 /nfs/dbraw/zinc/15/77/44/1134157744.db2.gz VUIHPKSJXUITJE-UHFFFAOYSA-N 1 2 295.386 3.616 20 30 CHEDLO N#Cc1ncc(Nc2cccc3cc[nH+]cc32)cc1Cl ZINC001210225843 1134172685 /nfs/dbraw/zinc/17/26/85/1134172685.db2.gz LOKYTDIALUCWLI-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO N#Cc1cccc(F)c1Nc1cccc2cc[nH+]cc21 ZINC001210231866 1134173946 /nfs/dbraw/zinc/17/39/46/1134173946.db2.gz SHCFOPSMAQJHFN-UHFFFAOYSA-N 1 2 263.275 3.989 20 30 CHEDLO Cc1[nH+]cc(Nc2sc3c(c2C#N)CCCC3)cc1N ZINC001210283698 1134185675 /nfs/dbraw/zinc/18/56/75/1134185675.db2.gz ANKDGLVFNJVHJD-UHFFFAOYSA-N 1 2 284.388 3.528 20 30 CHEDLO Cc1[nH+]cc(Nc2c(Cl)cc(Cl)cc2C#N)cc1N ZINC001210288258 1134186063 /nfs/dbraw/zinc/18/60/63/1134186063.db2.gz OLQRONWMURVEIE-UHFFFAOYSA-N 1 2 293.157 3.894 20 30 CHEDLO N#Cc1cc(Nc2cc[nH+]c3ccc(Cl)cc23)ccc1O ZINC001210527665 1134240018 /nfs/dbraw/zinc/24/00/18/1134240018.db2.gz PDIMMAHXZLOTSJ-UHFFFAOYSA-N 1 2 295.729 3.631 20 30 CHEDLO Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)c(C#N)c1 ZINC001210567094 1134250476 /nfs/dbraw/zinc/25/04/76/1134250476.db2.gz XBRMWKRJXYCHGV-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO COc1cc(Nc2ccc(Cl)c(F)c2C#N)cc(C)[nH+]1 ZINC001210784484 1134295157 /nfs/dbraw/zinc/29/51/57/1134295157.db2.gz PEMHUNPEPQKMMK-UHFFFAOYSA-N 1 2 291.713 3.806 20 30 CHEDLO Cc1cc(Nc2[nH+]cccc2N2CCCCC2)ccc1C#N ZINC001210809965 1134300475 /nfs/dbraw/zinc/30/04/75/1134300475.db2.gz LLWSPEIFHWMDSY-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1c(F)cccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089070 1134425398 /nfs/dbraw/zinc/42/53/98/1134425398.db2.gz SERAPTLRAAOEHU-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO Cc1ccc(Nc2cccc(C3(C#N)CC3)c2)c(C)[nH+]1 ZINC001213311928 1134440732 /nfs/dbraw/zinc/44/07/32/1134440732.db2.gz KCOFUFPQJBTDNC-UHFFFAOYSA-N 1 2 263.344 3.997 20 30 CHEDLO COc1cccc(Nc2cc(C3CC3)c[nH+]c2C)c1C#N ZINC001213500948 1134456728 /nfs/dbraw/zinc/45/67/28/1134456728.db2.gz FPXJRWZRDVMTOA-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(C#N)cc2Cl)c[nH+]1 ZINC001213513428 1134457642 /nfs/dbraw/zinc/45/76/42/1134457642.db2.gz KBOUUEVZLIJHRL-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(Cl)cc2C#N)c1C ZINC001213530538 1134461431 /nfs/dbraw/zinc/46/14/31/1134461431.db2.gz FCBFAOYWOSNIPX-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO N#Cc1cnccc1Nc1ccc2[nH+]c3ccccc3cc2c1 ZINC001214016108 1134504819 /nfs/dbraw/zinc/50/48/19/1134504819.db2.gz AIJZQCKMWSWDOV-UHFFFAOYSA-N 1 2 296.333 3.820 20 30 CHEDLO CSc1cc(Nc2ccc(C)c(C#N)c2)cc[nH+]1 ZINC001216074808 1134767418 /nfs/dbraw/zinc/76/74/18/1134767418.db2.gz XJVPZVHCWDAFAT-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1C#N ZINC001216076377 1134768147 /nfs/dbraw/zinc/76/81/47/1134768147.db2.gz YSVFANRMSQYFQW-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CCc1cc(Nc2cc[nH+]c(SC)c2)ccc1C#N ZINC001216316297 1134849478 /nfs/dbraw/zinc/84/94/78/1134849478.db2.gz NPGFRTDNUPYLGS-UHFFFAOYSA-N 1 2 269.373 3.981 20 30 CHEDLO C=CCCCCCC[C@@H](C)OCc1c[nH+]cn1C ZINC001222600161 1135254902 /nfs/dbraw/zinc/25/49/02/1135254902.db2.gz MBTSQCANMSZXQF-CQSZACIVSA-N 1 2 250.386 3.852 20 30 CHEDLO C=C[C@@]1(C)CC[C@@H](Oc2c(C)cc[nH+]c2C)C(C)(C)O1 ZINC001227265672 1135811779 /nfs/dbraw/zinc/81/17/79/1135811779.db2.gz VTQNDTZSYMZWTR-PBHICJAKSA-N 1 2 275.392 3.980 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000573456342 334939502 /nfs/dbraw/zinc/93/95/02/334939502.db2.gz ZBOVQILTMIHMGR-HNNXBMFYSA-N 1 2 299.443 3.710 20 30 CHEDLO Cc1cc(COc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000573909315 334975847 /nfs/dbraw/zinc/97/58/47/334975847.db2.gz ARSFNTODHVQWBO-UHFFFAOYSA-N 1 2 289.338 3.631 20 30 CHEDLO C=C(C)C[C@@H](C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000574364625 335013560 /nfs/dbraw/zinc/01/35/60/335013560.db2.gz GHYRKVHJJWDPFX-CYBMUJFWSA-N 1 2 294.358 3.992 20 30 CHEDLO C=C(C)C[C@H](C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000574364627 335013684 /nfs/dbraw/zinc/01/36/84/335013684.db2.gz GHYRKVHJJWDPFX-ZDUSSCGKSA-N 1 2 294.358 3.992 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346979587 226003969 /nfs/dbraw/zinc/00/39/69/226003969.db2.gz MGWCBNJFDZAISW-KRWDZBQOSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346979587 226003974 /nfs/dbraw/zinc/00/39/74/226003974.db2.gz MGWCBNJFDZAISW-KRWDZBQOSA-N 1 2 297.789 3.944 20 30 CHEDLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329181433 227342837 /nfs/dbraw/zinc/34/28/37/227342837.db2.gz OEGPTRIKISNCDE-MELADBBJSA-N 1 2 275.396 3.515 20 30 CHEDLO N#Cc1ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)nn1 ZINC000302009723 227755374 /nfs/dbraw/zinc/75/53/74/227755374.db2.gz VQMYQXLRHPADMR-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO N#Cc1ccccc1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000353562748 228121774 /nfs/dbraw/zinc/12/17/74/228121774.db2.gz BPCAGHYSTKJNDL-UHFFFAOYSA-N 1 2 282.774 3.770 20 30 CHEDLO N#Cc1ccccc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000353562748 228121775 /nfs/dbraw/zinc/12/17/75/228121775.db2.gz BPCAGHYSTKJNDL-UHFFFAOYSA-N 1 2 282.774 3.770 20 30 CHEDLO N#Cc1csc(C[N@H+](Cc2ccco2)C2CCCC2)n1 ZINC000356088584 228116232 /nfs/dbraw/zinc/11/62/32/228116232.db2.gz PORDFPQUWQEVMC-UHFFFAOYSA-N 1 2 287.388 3.553 20 30 CHEDLO N#Cc1csc(C[N@@H+](Cc2ccco2)C2CCCC2)n1 ZINC000356088584 228116235 /nfs/dbraw/zinc/11/62/35/228116235.db2.gz PORDFPQUWQEVMC-UHFFFAOYSA-N 1 2 287.388 3.553 20 30 CHEDLO N#CC1(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000333630529 228207381 /nfs/dbraw/zinc/20/73/81/228207381.db2.gz AEIJAFVQMIAOFX-INIZCTEOSA-N 1 2 294.402 3.784 20 30 CHEDLO N#CC1(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000333630529 228207382 /nfs/dbraw/zinc/20/73/82/228207382.db2.gz AEIJAFVQMIAOFX-INIZCTEOSA-N 1 2 294.402 3.784 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000187764876 260057269 /nfs/dbraw/zinc/05/72/69/260057269.db2.gz HKAIKSGWMBENBE-INIZCTEOSA-N 1 2 292.329 3.977 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000188244341 260075740 /nfs/dbraw/zinc/07/57/40/260075740.db2.gz VSBVZFZKJDQTDX-INIZCTEOSA-N 1 2 269.348 3.618 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000097079144 260580301 /nfs/dbraw/zinc/58/03/01/260580301.db2.gz UGUZRIMPQPNOHP-VIFPVBQESA-N 1 2 257.164 3.727 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000097079144 260580303 /nfs/dbraw/zinc/58/03/03/260580303.db2.gz UGUZRIMPQPNOHP-VIFPVBQESA-N 1 2 257.164 3.727 20 30 CHEDLO C=CCc1cc(C[NH+]2Cc3ccccc3C2)cc(OC)c1O ZINC000119953692 260672275 /nfs/dbraw/zinc/67/22/75/260672275.db2.gz OBZDRWHCLMGSIR-UHFFFAOYSA-N 1 2 295.382 3.645 20 30 CHEDLO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428303065 260756249 /nfs/dbraw/zinc/75/62/49/260756249.db2.gz HUCWYRNBZFODJU-LBPRGKRZSA-N 1 2 284.334 3.557 20 30 CHEDLO CC(C)Oc1ccc(NCc2[nH+]ccn2C(C)C)cc1C#N ZINC000151981241 261057936 /nfs/dbraw/zinc/05/79/36/261057936.db2.gz HJYPMIARJDKZAC-UHFFFAOYSA-N 1 2 298.390 3.735 20 30 CHEDLO COc1c(C)c[nH+]c(CSc2cccc(C#N)c2)c1C ZINC000177096839 261331840 /nfs/dbraw/zinc/33/18/40/261331840.db2.gz OLZJQBDBXPHWIJ-UHFFFAOYSA-N 1 2 284.384 3.871 20 30 CHEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000182270854 261439260 /nfs/dbraw/zinc/43/92/60/261439260.db2.gz OYNDLCLZEJEBPD-NSHDSACASA-N 1 2 272.298 3.687 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000184094159 262009341 /nfs/dbraw/zinc/00/93/41/262009341.db2.gz YBELHHOKOMDYKT-ZDUSSCGKSA-N 1 2 270.332 3.854 20 30 CHEDLO C=CC[NH+](CC=C)Cc1csc(-c2ccoc2)n1 ZINC000108491970 262053948 /nfs/dbraw/zinc/05/39/48/262053948.db2.gz IERYOVJSTFAYDP-UHFFFAOYSA-N 1 2 260.362 3.577 20 30 CHEDLO N#Cc1ccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)o1 ZINC000192217777 262199928 /nfs/dbraw/zinc/19/99/28/262199928.db2.gz LJCHVDCFTCQBAI-XJKSGUPXSA-N 1 2 293.370 3.752 20 30 CHEDLO N#Cc1ccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)o1 ZINC000192217777 262199929 /nfs/dbraw/zinc/19/99/29/262199929.db2.gz LJCHVDCFTCQBAI-XJKSGUPXSA-N 1 2 293.370 3.752 20 30 CHEDLO CCCn1c2ccccc2nc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272525976 263005639 /nfs/dbraw/zinc/00/56/39/263005639.db2.gz MAMOVVQXRPSJKT-UHFFFAOYSA-N 1 2 296.418 3.572 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1C(F)F ZINC000274508358 263025107 /nfs/dbraw/zinc/02/51/07/263025107.db2.gz UQJQUVMNWXMMLR-UHFFFAOYSA-N 1 2 298.381 3.510 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1C(F)F ZINC000274508358 263025108 /nfs/dbraw/zinc/02/51/08/263025108.db2.gz UQJQUVMNWXMMLR-UHFFFAOYSA-N 1 2 298.381 3.510 20 30 CHEDLO CC(C)(C)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000275404014 263033239 /nfs/dbraw/zinc/03/32/39/263033239.db2.gz CHYDCYWQLWOIBI-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO CC(C)(C)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000275404014 263033240 /nfs/dbraw/zinc/03/32/40/263033240.db2.gz CHYDCYWQLWOIBI-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCCC(C)(C)C#N)o1 ZINC000277825495 263043811 /nfs/dbraw/zinc/04/38/11/263043811.db2.gz VWLGPRSTKJIVOU-HNNXBMFYSA-N 1 2 290.407 3.681 20 30 CHEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCCC(C)(C)C#N)o1 ZINC000277825495 263043812 /nfs/dbraw/zinc/04/38/12/263043812.db2.gz VWLGPRSTKJIVOU-HNNXBMFYSA-N 1 2 290.407 3.681 20 30 CHEDLO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)c(F)c1O ZINC000282224395 263075194 /nfs/dbraw/zinc/07/51/94/263075194.db2.gz ICOUTCAEYYXPDL-VOMCLLRMSA-N 1 2 294.345 3.651 20 30 CHEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000285949670 263096646 /nfs/dbraw/zinc/09/66/46/263096646.db2.gz JZODTXOMEFOTHO-QGZVFWFLSA-N 1 2 296.374 3.709 20 30 CHEDLO CCCCCCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294836659 263168118 /nfs/dbraw/zinc/16/81/18/263168118.db2.gz RNRJSWVFOZRNBQ-CQSZACIVSA-N 1 2 292.452 3.906 20 30 CHEDLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000297083111 263200938 /nfs/dbraw/zinc/20/09/38/263200938.db2.gz WWWISGPKVWGHMJ-AWEZNQCLSA-N 1 2 298.390 3.759 20 30 CHEDLO CC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000453253959 263210949 /nfs/dbraw/zinc/21/09/49/263210949.db2.gz XNMRWYQPWXPTNW-GJZGRUSLSA-N 1 2 278.346 3.959 20 30 CHEDLO N#CCC[N@@H+](CCc1cccc(Cl)c1)Cc1cccnc1 ZINC000297933833 263212476 /nfs/dbraw/zinc/21/24/76/263212476.db2.gz UURLXLHYWLGBOB-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO N#CCC[N@H+](CCc1cccc(Cl)c1)Cc1cccnc1 ZINC000297933833 263212477 /nfs/dbraw/zinc/21/24/77/263212477.db2.gz UURLXLHYWLGBOB-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO C[C@@H](CCC#N)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000298611559 263222966 /nfs/dbraw/zinc/22/29/66/263222966.db2.gz MGFIRJKTMXQFNJ-JSGCOSHPSA-N 1 2 271.389 3.514 20 30 CHEDLO Cc1cc(C)c(NC(=O)NC[C@H]2CC=CCC2)c(C)[nH+]1 ZINC000331249209 264179931 /nfs/dbraw/zinc/17/99/31/264179931.db2.gz XMLILRLZBYYRIY-AWEZNQCLSA-N 1 2 273.380 3.689 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258945 264226028 /nfs/dbraw/zinc/22/60/28/264226028.db2.gz KLTAWUUAVIDBKT-IUODEOHRSA-N 1 2 270.376 3.671 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258945 264226029 /nfs/dbraw/zinc/22/60/29/264226029.db2.gz KLTAWUUAVIDBKT-IUODEOHRSA-N 1 2 270.376 3.671 20 30 CHEDLO CSc1ccc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000356190915 266067472 /nfs/dbraw/zinc/06/74/72/266067472.db2.gz IREZWFZKYYACTF-UHFFFAOYSA-N 1 2 266.435 3.596 20 30 CHEDLO CSc1ccc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000356190915 266067470 /nfs/dbraw/zinc/06/74/70/266067470.db2.gz IREZWFZKYYACTF-UHFFFAOYSA-N 1 2 266.435 3.596 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000356435225 266113217 /nfs/dbraw/zinc/11/32/17/266113217.db2.gz IRAIVOCFHQUBMZ-ROJDOSBLSA-N 1 2 295.411 3.693 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000356435225 266113219 /nfs/dbraw/zinc/11/32/19/266113219.db2.gz IRAIVOCFHQUBMZ-ROJDOSBLSA-N 1 2 295.411 3.693 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000357778047 266359948 /nfs/dbraw/zinc/35/99/48/266359948.db2.gz BAUPHUFMMLIUFZ-ZDUSSCGKSA-N 1 2 280.346 3.644 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(F)cc1C#N ZINC000357778047 266359954 /nfs/dbraw/zinc/35/99/54/266359954.db2.gz BAUPHUFMMLIUFZ-ZDUSSCGKSA-N 1 2 280.346 3.644 20 30 CHEDLO C=C[C@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362693836 267036509 /nfs/dbraw/zinc/03/65/09/267036509.db2.gz WVHHYCOLHJZTKB-LBPRGKRZSA-N 1 2 283.331 3.570 20 30 CHEDLO N#CC1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCC1 ZINC000418145461 267366128 /nfs/dbraw/zinc/36/61/28/267366128.db2.gz YDZNNJVKNORFEE-UHFFFAOYSA-N 1 2 283.400 3.594 20 30 CHEDLO N#CCCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000121014927 267548542 /nfs/dbraw/zinc/54/85/42/267548542.db2.gz AKKLZINRFFHUBB-UHFFFAOYSA-N 1 2 276.343 3.562 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccccc1C#N ZINC000531833465 328041156 /nfs/dbraw/zinc/04/11/56/328041156.db2.gz XEYIJFNSYSDHGE-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccccc1C#N ZINC000531833465 328041158 /nfs/dbraw/zinc/04/11/58/328041158.db2.gz XEYIJFNSYSDHGE-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccccc2)s1 ZINC000534337543 328049534 /nfs/dbraw/zinc/04/95/34/328049534.db2.gz WTNBFIFUGZVWPS-UHFFFAOYSA-N 1 2 285.416 3.934 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)s1 ZINC000534337543 328049535 /nfs/dbraw/zinc/04/95/35/328049535.db2.gz WTNBFIFUGZVWPS-UHFFFAOYSA-N 1 2 285.416 3.934 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1Br ZINC000450657715 328055540 /nfs/dbraw/zinc/05/55/40/328055540.db2.gz ACLBJUSHDODGSE-NSHDSACASA-N 1 2 293.208 3.794 20 30 CHEDLO N#CCC[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccco1 ZINC000152139287 328073405 /nfs/dbraw/zinc/07/34/05/328073405.db2.gz VDPSKFIBVYTYPC-UHFFFAOYSA-N 1 2 290.313 3.516 20 30 CHEDLO N#CCC[N@H+](CCc1ccc(F)c(F)c1)Cc1ccco1 ZINC000152139287 328073406 /nfs/dbraw/zinc/07/34/06/328073406.db2.gz VDPSKFIBVYTYPC-UHFFFAOYSA-N 1 2 290.313 3.516 20 30 CHEDLO CC(C)(C)c1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000272646898 328200454 /nfs/dbraw/zinc/20/04/54/328200454.db2.gz YPGDNIPKDZERMS-UHFFFAOYSA-N 1 2 277.437 3.566 20 30 CHEDLO C=CC[N@H+](Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000357551600 327018767 /nfs/dbraw/zinc/01/87/67/327018767.db2.gz JVCLGZVKLGEGMN-UHFFFAOYSA-N 1 2 260.362 3.554 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000357551600 327018769 /nfs/dbraw/zinc/01/87/69/327018769.db2.gz JVCLGZVKLGEGMN-UHFFFAOYSA-N 1 2 260.362 3.554 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](F)C2)c(C(F)(F)F)c1 ZINC000569462560 327181902 /nfs/dbraw/zinc/18/19/02/327181902.db2.gz DJCBDBXXBWUAPZ-LBPRGKRZSA-N 1 2 286.272 3.511 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(C(F)(F)F)c1 ZINC000569462560 327181903 /nfs/dbraw/zinc/18/19/03/327181903.db2.gz DJCBDBXXBWUAPZ-LBPRGKRZSA-N 1 2 286.272 3.511 20 30 CHEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4ccccc43)n2c1 ZINC000560258222 327294693 /nfs/dbraw/zinc/29/46/93/327294693.db2.gz UTEYGLJLUYDUEN-UHFFFAOYSA-N 1 2 298.349 3.971 20 30 CHEDLO N#Cc1ccc(C[NH2+]CC(F)(F)c2ccccc2)s1 ZINC000570438510 327591278 /nfs/dbraw/zinc/59/12/78/327591278.db2.gz FJFUIHLANXCZDQ-UHFFFAOYSA-N 1 2 278.327 3.501 20 30 CHEDLO C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000582683828 329127781 /nfs/dbraw/zinc/12/77/81/329127781.db2.gz LUEFCHOKCMPDRU-UONOGXRCSA-N 1 2 259.397 3.694 20 30 CHEDLO Cc1ncc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)s1 ZINC000177034330 329180289 /nfs/dbraw/zinc/18/02/89/329180289.db2.gz VSMUPAMPKYIJBN-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ncc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)s1 ZINC000177034330 329180290 /nfs/dbraw/zinc/18/02/90/329180290.db2.gz VSMUPAMPKYIJBN-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187193529 329354331 /nfs/dbraw/zinc/35/43/31/329354331.db2.gz GRCAOUHMISKBRR-KRWDZBQOSA-N 1 2 299.805 3.887 20 30 CHEDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187193529 329354332 /nfs/dbraw/zinc/35/43/32/329354332.db2.gz GRCAOUHMISKBRR-KRWDZBQOSA-N 1 2 299.805 3.887 20 30 CHEDLO Cc1ccc(CNc2ccc(Cl)c(C#N)c2)c(C)[nH+]1 ZINC000187707390 329362504 /nfs/dbraw/zinc/36/25/04/329362504.db2.gz MTZZTQPGHJCUTE-UHFFFAOYSA-N 1 2 271.751 3.836 20 30 CHEDLO Cc1cc(N2CC[C@H](c3cccc(Cl)c3)C2)c(C#N)c[nH+]1 ZINC000425274265 329654477 /nfs/dbraw/zinc/65/44/77/329654477.db2.gz ZHPTXDIHVSCOLI-AWEZNQCLSA-N 1 2 297.789 3.909 20 30 CHEDLO Cc1[nH+]c(C(C)C)ccc1CSCc1ncc(C#N)cn1 ZINC000419495330 329737576 /nfs/dbraw/zinc/73/75/76/329737576.db2.gz RKIAFLBEJQSYDI-UHFFFAOYSA-N 1 2 298.415 3.609 20 30 CHEDLO C=CCC1(c2nc(Cc3ccc[nH+]c3C)no2)CCCC1 ZINC000420510270 329772594 /nfs/dbraw/zinc/77/25/94/329772594.db2.gz HZNTUQDZJFRSME-UHFFFAOYSA-N 1 2 283.375 3.752 20 30 CHEDLO C=CCCCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000274611027 330107149 /nfs/dbraw/zinc/10/71/49/330107149.db2.gz QMYWDAGNYOSCJD-UHFFFAOYSA-N 1 2 298.390 3.565 20 30 CHEDLO CC(C)([NH2+]Cc1ccc(C#N)o1)c1nc2ccccc2s1 ZINC000527742409 330280052 /nfs/dbraw/zinc/28/00/52/330280052.db2.gz BWDAZXXZTRDWFV-UHFFFAOYSA-N 1 2 297.383 3.786 20 30 CHEDLO C=C(CC)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000536901232 330363523 /nfs/dbraw/zinc/36/35/23/330363523.db2.gz QFVQUBNIDGVMMJ-UHFFFAOYSA-N 1 2 296.399 3.874 20 30 CHEDLO C=CCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436185328 330670327 /nfs/dbraw/zinc/67/03/27/330670327.db2.gz ZLBNJWWAFPRLTE-UHFFFAOYSA-N 1 2 295.386 3.791 20 30 CHEDLO Cc1cc(C#N)cc(NCCCc2ccc(C)[nH+]c2)c1 ZINC000449759475 330948253 /nfs/dbraw/zinc/94/82/53/330948253.db2.gz JLQQLWSLNODORJ-UHFFFAOYSA-N 1 2 265.360 3.615 20 30 CHEDLO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000450683415 330993479 /nfs/dbraw/zinc/99/34/79/330993479.db2.gz SGVRPDLXSJUKSK-CQSZACIVSA-N 1 2 264.319 3.699 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1nc(C(C)(C)C)cs1 ZINC000450728599 330996349 /nfs/dbraw/zinc/99/63/49/330996349.db2.gz MAYAHQXUYRNXMF-LLVKDONJSA-N 1 2 277.437 3.785 20 30 CHEDLO N#CCC[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459751729 331298387 /nfs/dbraw/zinc/29/83/87/331298387.db2.gz QIUBZSSTZPJJOQ-INIZCTEOSA-N 1 2 254.377 3.907 20 30 CHEDLO N#CCC[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459751729 331298388 /nfs/dbraw/zinc/29/83/88/331298388.db2.gz QIUBZSSTZPJJOQ-INIZCTEOSA-N 1 2 254.377 3.907 20 30 CHEDLO CC#CCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000462323278 331319573 /nfs/dbraw/zinc/31/95/73/331319573.db2.gz HLGSDTOWDFOKPW-CJNGLKHVSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000462323278 331319574 /nfs/dbraw/zinc/31/95/74/331319574.db2.gz HLGSDTOWDFOKPW-CJNGLKHVSA-N 1 2 277.795 3.515 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000464543255 331362244 /nfs/dbraw/zinc/36/22/44/331362244.db2.gz AUVSILCEXKUZDU-INIZCTEOSA-N 1 2 288.435 3.622 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000464543255 331362245 /nfs/dbraw/zinc/36/22/45/331362245.db2.gz AUVSILCEXKUZDU-INIZCTEOSA-N 1 2 288.435 3.622 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000510947502 332921564 /nfs/dbraw/zinc/92/15/64/332921564.db2.gz DZGFVUOMFJEYIW-UHFFFAOYSA-N 1 2 287.165 3.821 20 30 CHEDLO Cc1cc2[nH+]cn(CC#Cc3ccc(F)cc3)c2cc1C ZINC000477414159 331683745 /nfs/dbraw/zinc/68/37/45/331683745.db2.gz FKIBEPSRBPEVMG-UHFFFAOYSA-N 1 2 278.330 3.844 20 30 CHEDLO C=C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C=C)[nH+]cn1 ZINC000486498306 331938699 /nfs/dbraw/zinc/93/86/99/331938699.db2.gz QDXXRCHLWMQPOD-HZPDHXFCSA-N 1 2 298.434 3.566 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000489443412 332052542 /nfs/dbraw/zinc/05/25/42/332052542.db2.gz IDXZJMPODHCAFH-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000489443412 332052544 /nfs/dbraw/zinc/05/25/44/332052544.db2.gz IDXZJMPODHCAFH-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CCC)n1 ZINC000489445112 332053055 /nfs/dbraw/zinc/05/30/55/332053055.db2.gz ZQNSTOUQNWITSA-CYBMUJFWSA-N 1 2 250.411 3.636 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CCC)n1 ZINC000489445112 332053057 /nfs/dbraw/zinc/05/30/57/332053057.db2.gz ZQNSTOUQNWITSA-CYBMUJFWSA-N 1 2 250.411 3.636 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1Cl ZINC000489502252 332057027 /nfs/dbraw/zinc/05/70/27/332057027.db2.gz YGMWZKGKZLBBNO-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1Cl ZINC000489502252 332057028 /nfs/dbraw/zinc/05/70/28/332057028.db2.gz YGMWZKGKZLBBNO-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000490898486 332127258 /nfs/dbraw/zinc/12/72/58/332127258.db2.gz KUEQXMBZALFJQV-KRWDZBQOSA-N 1 2 292.382 3.675 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000490898486 332127259 /nfs/dbraw/zinc/12/72/59/332127259.db2.gz KUEQXMBZALFJQV-KRWDZBQOSA-N 1 2 292.382 3.675 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000491278243 332179852 /nfs/dbraw/zinc/17/98/52/332179852.db2.gz SDUYQPAEBPPWQD-QGZVFWFLSA-N 1 2 298.748 3.815 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccnc1C)c1ccc(Cl)cc1F ZINC000491626217 332249822 /nfs/dbraw/zinc/24/98/22/332249822.db2.gz IIDQJGOUWFLENO-MRXNPFEDSA-N 1 2 288.753 3.647 20 30 CHEDLO CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000336708768 335114295 /nfs/dbraw/zinc/11/42/95/335114295.db2.gz OBNSGEMJHRTLRJ-UHFFFAOYSA-N 1 2 293.208 3.553 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC#Cc1ccccc1 ZINC000191986104 333228004 /nfs/dbraw/zinc/22/80/04/333228004.db2.gz GLEHDEXEFVBOPM-YLJYHZDGSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000191986104 333228005 /nfs/dbraw/zinc/22/80/05/333228005.db2.gz GLEHDEXEFVBOPM-YLJYHZDGSA-N 1 2 291.394 3.500 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(C)s1)Cc1ccccc1F ZINC000193495189 333251529 /nfs/dbraw/zinc/25/15/29/333251529.db2.gz USNPGSVRWRVPMY-UHFFFAOYSA-N 1 2 276.380 3.779 20 30 CHEDLO C=CC[N@H+](Cc1cnc(C)s1)Cc1ccccc1F ZINC000193495189 333251531 /nfs/dbraw/zinc/25/15/31/333251531.db2.gz USNPGSVRWRVPMY-UHFFFAOYSA-N 1 2 276.380 3.779 20 30 CHEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000226425378 333260714 /nfs/dbraw/zinc/26/07/14/333260714.db2.gz GTCTYQBFGFSMDR-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229747940 333309254 /nfs/dbraw/zinc/30/92/54/333309254.db2.gz IHWHLVQJOWDADF-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229747940 333309256 /nfs/dbraw/zinc/30/92/56/333309256.db2.gz IHWHLVQJOWDADF-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000174357897 335153370 /nfs/dbraw/zinc/15/33/70/335153370.db2.gz SAZRZRHTAUBOOE-RYUDHWBXSA-N 1 2 298.390 3.651 20 30 CHEDLO Cc1cc(Cl)ccc1CNc1cc(CC#N)cc[nH+]1 ZINC000546633483 334042292 /nfs/dbraw/zinc/04/22/92/334042292.db2.gz OOHIVZTZUNZUMJ-UHFFFAOYSA-N 1 2 271.751 3.722 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000078003405 334120237 /nfs/dbraw/zinc/12/02/37/334120237.db2.gz ZPHPYVHUHMCUIF-UHFFFAOYSA-N 1 2 282.309 3.974 20 30 CHEDLO N#CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000078003405 334120239 /nfs/dbraw/zinc/12/02/39/334120239.db2.gz ZPHPYVHUHMCUIF-UHFFFAOYSA-N 1 2 282.309 3.974 20 30 CHEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000248843401 334319484 /nfs/dbraw/zinc/31/94/84/334319484.db2.gz MIDVOEUWDFTCCI-PXNSSMCTSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000248843401 334319486 /nfs/dbraw/zinc/31/94/86/334319486.db2.gz MIDVOEUWDFTCCI-PXNSSMCTSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cscn1 ZINC000554817223 334454131 /nfs/dbraw/zinc/45/41/31/334454131.db2.gz MJURTYGPYYXIIF-VHSXEESVSA-N 1 2 275.352 3.566 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(OC)cc2Br)CC1 ZINC000554853093 334456302 /nfs/dbraw/zinc/45/63/02/334456302.db2.gz JSKZYJBZJGCAKL-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO C=CCCCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000576714862 335239120 /nfs/dbraw/zinc/23/91/20/335239120.db2.gz HNOASERLAVGEIA-UHFFFAOYSA-N 1 2 275.396 3.875 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)s1 ZINC000176975730 335350940 /nfs/dbraw/zinc/35/09/40/335350940.db2.gz MVWAMVCKSKEKSC-UHFFFAOYSA-N 1 2 295.367 3.565 20 30 CHEDLO CC(C)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000177552720 335374438 /nfs/dbraw/zinc/37/44/38/335374438.db2.gz YBFVRNBWTDNGMZ-UHFFFAOYSA-N 1 2 290.370 3.941 20 30 CHEDLO CSc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000356108795 534204449 /nfs/dbraw/zinc/20/44/49/534204449.db2.gz JRFOOSZRUAIBRQ-SNVBAGLBSA-N 1 2 266.435 3.594 20 30 CHEDLO CSc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000356108795 534204455 /nfs/dbraw/zinc/20/44/55/534204455.db2.gz JRFOOSZRUAIBRQ-SNVBAGLBSA-N 1 2 266.435 3.594 20 30 CHEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329235780 534385104 /nfs/dbraw/zinc/38/51/04/534385104.db2.gz IXEWDWXPBQFLKO-SOUVJXGZSA-N 1 2 287.407 3.993 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@H]3CC34CCCCC4)ccc2[nH+]1 ZINC000329125191 534516753 /nfs/dbraw/zinc/51/67/53/534516753.db2.gz SVJFXPKPSNHPBT-AWEZNQCLSA-N 1 2 298.390 3.501 20 30 CHEDLO Cc1ccn(-c2ccc([NH2+]CCC(C)(C)C#N)cc2)n1 ZINC000345359022 534851205 /nfs/dbraw/zinc/85/12/05/534851205.db2.gz WZVWWWVHWOIEFH-UHFFFAOYSA-N 1 2 268.364 3.533 20 30 CHEDLO CSc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000155789187 526042607 /nfs/dbraw/zinc/04/26/07/526042607.db2.gz OSCMRDHZGPGROX-UHFFFAOYSA-N 1 2 294.383 3.540 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cccc(O)c1OC ZINC000352735876 526377949 /nfs/dbraw/zinc/37/79/49/526377949.db2.gz BDMJXGUJZNVKPW-UHFFFAOYSA-N 1 2 289.400 3.651 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cccc(O)c1OC ZINC000352735876 526377955 /nfs/dbraw/zinc/37/79/55/526377955.db2.gz BDMJXGUJZNVKPW-UHFFFAOYSA-N 1 2 289.400 3.651 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000274809188 526552996 /nfs/dbraw/zinc/55/29/96/526552996.db2.gz UJIREEUBHFMQFN-MRXNPFEDSA-N 1 2 285.778 3.877 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000274809188 526553000 /nfs/dbraw/zinc/55/30/00/526553000.db2.gz UJIREEUBHFMQFN-MRXNPFEDSA-N 1 2 285.778 3.877 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(NCc2ccc(C#N)cc2)c1 ZINC000119976907 527424460 /nfs/dbraw/zinc/42/44/60/527424460.db2.gz QFOQZYXVGHPXLX-UHFFFAOYSA-N 1 2 288.354 3.571 20 30 CHEDLO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCC#N ZINC000113256736 527753625 /nfs/dbraw/zinc/75/36/25/527753625.db2.gz WMBXTPQSFWNSRD-CQSZACIVSA-N 1 2 250.773 3.883 20 30 CHEDLO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCC#N ZINC000113256736 527753630 /nfs/dbraw/zinc/75/36/30/527753630.db2.gz WMBXTPQSFWNSRD-CQSZACIVSA-N 1 2 250.773 3.883 20 30 CHEDLO CC1(C#N)CCC([NH2+]c2ccc(-n3cccn3)cc2)CC1 ZINC000336214133 528833221 /nfs/dbraw/zinc/83/32/21/528833221.db2.gz NCOAKKQNSBXZPE-UHFFFAOYSA-N 1 2 280.375 3.757 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(F)cc1C ZINC000891938098 1118856979 /nfs/dbraw/zinc/85/69/79/1118856979.db2.gz XUVHSTKFOJBQEU-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(C#N)cc1F ZINC000414222599 1119946194 /nfs/dbraw/zinc/94/61/94/1119946194.db2.gz NBOROPCBDBHFRB-ZJUUUORDSA-N 1 2 275.352 3.566 20 30 CHEDLO C[N@H+](Cc1cscc1Br)CC1(CC#N)CC1 ZINC000709948887 1121472150 /nfs/dbraw/zinc/47/21/50/1121472150.db2.gz IDBISNIDVWNPCZ-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO C[N@@H+](Cc1cscc1Br)CC1(CC#N)CC1 ZINC000709948887 1121472152 /nfs/dbraw/zinc/47/21/52/1121472152.db2.gz IDBISNIDVWNPCZ-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO CC(C)(C)c1csc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397849432 1121701036 /nfs/dbraw/zinc/70/10/36/1121701036.db2.gz RGRQBJISGXVYTF-GFCCVEGCSA-N 1 2 277.437 3.566 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001201839740 1123155374 /nfs/dbraw/zinc/15/53/74/1123155374.db2.gz QKTMDZQHRVIOAL-CQSZACIVSA-N 1 2 257.393 3.740 20 30 CHEDLO CCCCCCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001201839740 1123155376 /nfs/dbraw/zinc/15/53/76/1123155376.db2.gz QKTMDZQHRVIOAL-CQSZACIVSA-N 1 2 257.393 3.740 20 30 CHEDLO CC#CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444701992 1124054591 /nfs/dbraw/zinc/05/45/91/1124054591.db2.gz XLGFLIPRLVUQCU-BBRMVZONSA-N 1 2 277.795 3.515 20 30 CHEDLO Cc1ccc(CC[C@H](C)[NH2+][C@](C)(C#N)C(C)C)cc1 ZINC001171658216 1132069638 /nfs/dbraw/zinc/06/96/38/1132069638.db2.gz PQECARUUXNLXFF-DOTOQJQBSA-N 1 2 258.409 3.844 20 30 CHEDLO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC[C@H]1C#N ZINC001208217782 1133909207 /nfs/dbraw/zinc/90/92/07/1133909207.db2.gz LBXCUOQDCRXWSJ-CVEARBPZSA-N 1 2 280.456 3.986 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001209441317 1134021492 /nfs/dbraw/zinc/02/14/92/1134021492.db2.gz HOZNHBLSKZCEMR-CYBMUJFWSA-N 1 2 279.346 3.776 20 30 CHEDLO C=CCCCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001209441317 1134021496 /nfs/dbraw/zinc/02/14/96/1134021496.db2.gz HOZNHBLSKZCEMR-CYBMUJFWSA-N 1 2 279.346 3.776 20 30 CHEDLO C=CCCCCCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209443108 1134022736 /nfs/dbraw/zinc/02/27/36/1134022736.db2.gz LSVLIPJNUFSTAK-HNNXBMFYSA-N 1 2 269.404 3.906 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209443108 1134022744 /nfs/dbraw/zinc/02/27/44/1134022744.db2.gz LSVLIPJNUFSTAK-HNNXBMFYSA-N 1 2 269.404 3.906 20 30 CHEDLO CC(C)(CCC#N)CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121344328 1125559199 /nfs/dbraw/zinc/55/91/99/1125559199.db2.gz LZEBTANDBQBRJL-UHFFFAOYSA-N 1 2 286.354 3.753 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000093091444 1125764076 /nfs/dbraw/zinc/76/40/76/1125764076.db2.gz RODZEJMUYLIJMK-DOMZBBRYSA-N 1 2 258.365 3.529 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000093091444 1125764083 /nfs/dbraw/zinc/76/40/83/1125764083.db2.gz RODZEJMUYLIJMK-DOMZBBRYSA-N 1 2 258.365 3.529 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000093090536 1125764657 /nfs/dbraw/zinc/76/46/57/1125764657.db2.gz IGBMMVGDVFWPTD-AWEZNQCLSA-N 1 2 272.392 3.742 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000093090536 1125764664 /nfs/dbraw/zinc/76/46/64/1125764664.db2.gz IGBMMVGDVFWPTD-AWEZNQCLSA-N 1 2 272.392 3.742 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC[C@H]1CCCO1 ZINC000887270639 1125780628 /nfs/dbraw/zinc/78/06/28/1125780628.db2.gz QLBRXQGPXKFRGH-IIMQCXAKSA-N 1 2 269.344 3.533 20 30 CHEDLO C[C@@H](C#N)C[N@H+](CCSc1ccccc1F)C1CC1 ZINC000338360046 1126738568 /nfs/dbraw/zinc/73/85/68/1126738568.db2.gz PARBIQDJGPWKKG-LBPRGKRZSA-N 1 2 278.396 3.542 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](CCSc1ccccc1F)C1CC1 ZINC000338360046 1126738571 /nfs/dbraw/zinc/73/85/71/1126738571.db2.gz PARBIQDJGPWKKG-LBPRGKRZSA-N 1 2 278.396 3.542 20 30 CHEDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)n1 ZINC001238729388 1131238705 /nfs/dbraw/zinc/23/87/05/1131238705.db2.gz SUGJDVAIKCEIHT-CYBMUJFWSA-N 1 2 291.826 3.984 20 30 CHEDLO CC(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)n1 ZINC001238729388 1131238712 /nfs/dbraw/zinc/23/87/12/1131238712.db2.gz SUGJDVAIKCEIHT-CYBMUJFWSA-N 1 2 291.826 3.984 20 30 CHEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)ccc1C#N ZINC000488225441 1127064653 /nfs/dbraw/zinc/06/46/53/1127064653.db2.gz TWFJKKSPLCRNCS-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)ccc1C#N ZINC000488225441 1127064656 /nfs/dbraw/zinc/06/46/56/1127064656.db2.gz TWFJKKSPLCRNCS-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237085055 1131046423 /nfs/dbraw/zinc/04/64/23/1131046423.db2.gz TUORHZOKIBAMKJ-UHFFFAOYSA-N 1 2 299.201 3.825 20 30 CHEDLO C=CCC[C@H](CCC)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348847947 1127131081 /nfs/dbraw/zinc/13/10/81/1127131081.db2.gz LDGCJRKDMOQQLH-INIZCTEOSA-N 1 2 284.407 3.873 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594067 1131109319 /nfs/dbraw/zinc/10/93/19/1131109319.db2.gz OEPNYLZDLWQEGQ-NSHDSACASA-N 1 2 269.747 3.725 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594067 1131109323 /nfs/dbraw/zinc/10/93/23/1131109323.db2.gz OEPNYLZDLWQEGQ-NSHDSACASA-N 1 2 269.747 3.725 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nc(C)cs1)c1ccco1 ZINC000285461273 1127229624 /nfs/dbraw/zinc/22/96/24/1127229624.db2.gz AHLLQNWUYBEUAV-LBPRGKRZSA-N 1 2 262.378 3.842 20 30 CHEDLO N#CCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000589990920 1127243467 /nfs/dbraw/zinc/24/34/67/1127243467.db2.gz NSPSECRQYCQSPJ-SFHVURJKSA-N 1 2 293.345 3.832 20 30 CHEDLO N#CCCCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC001116761840 1131163690 /nfs/dbraw/zinc/16/36/90/1131163690.db2.gz REGKACLUPBXQSO-UHFFFAOYSA-N 1 2 271.389 3.799 20 30 CHEDLO CC(=O)c1ccc(C#N)c(NCCCc2cccc(C)[nH+]2)c1 ZINC000286588014 1127269220 /nfs/dbraw/zinc/26/92/20/1127269220.db2.gz NUFAYNKVPUOHBF-UHFFFAOYSA-N 1 2 293.370 3.509 20 30 CHEDLO C=CCCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000354785022 1127314581 /nfs/dbraw/zinc/31/45/81/1127314581.db2.gz LSSHKDPZJXEXAG-UHFFFAOYSA-N 1 2 299.349 3.696 20 30 CHEDLO N#Cc1cnccc1C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000593039620 1127368808 /nfs/dbraw/zinc/36/88/08/1127368808.db2.gz NDGLSHAFVVDGGF-UHFFFAOYSA-N 1 2 297.789 3.776 20 30 CHEDLO CSc1ccccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000358040093 1127397915 /nfs/dbraw/zinc/39/79/15/1127397915.db2.gz VLVPYYZZTLGPBD-LBPRGKRZSA-N 1 2 260.406 3.533 20 30 CHEDLO CSc1ccccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000358040093 1127397918 /nfs/dbraw/zinc/39/79/18/1127397918.db2.gz VLVPYYZZTLGPBD-LBPRGKRZSA-N 1 2 260.406 3.533 20 30 CHEDLO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000594506455 1127419145 /nfs/dbraw/zinc/41/91/45/1127419145.db2.gz SDLWPFKBYZGRKU-AWEZNQCLSA-N 1 2 278.346 3.765 20 30 CHEDLO C=C(CC)C[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000358515288 1127425231 /nfs/dbraw/zinc/42/52/31/1127425231.db2.gz YCLHGKNYWUIODI-GFCCVEGCSA-N 1 2 268.426 3.639 20 30 CHEDLO C=C(CC)C[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000358515288 1127425232 /nfs/dbraw/zinc/42/52/32/1127425232.db2.gz YCLHGKNYWUIODI-GFCCVEGCSA-N 1 2 268.426 3.639 20 30 CHEDLO CCn1nc(C[NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000594981160 1127443216 /nfs/dbraw/zinc/44/32/16/1127443216.db2.gz IDIQBNPGEKWXRN-UHFFFAOYSA-N 1 2 296.418 3.620 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC000595623365 1127468466 /nfs/dbraw/zinc/46/84/66/1127468466.db2.gz OFQQFCRDBHSSCG-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC000595623365 1127468467 /nfs/dbraw/zinc/46/84/67/1127468467.db2.gz OFQQFCRDBHSSCG-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000595616548 1127467509 /nfs/dbraw/zinc/46/75/09/1127467509.db2.gz UUXQQLVJWSAMIS-CYBMUJFWSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000595616548 1127467510 /nfs/dbraw/zinc/46/75/10/1127467510.db2.gz UUXQQLVJWSAMIS-CYBMUJFWSA-N 1 2 299.349 3.606 20 30 CHEDLO CC(C)c1ccc2c(c1)C[N@@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000595657795 1127471874 /nfs/dbraw/zinc/47/18/74/1127471874.db2.gz OMNOOIGVQNOQKT-OAHLLOKOSA-N 1 2 281.403 3.612 20 30 CHEDLO CC(C)c1ccc2c(c1)C[N@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000595657795 1127471878 /nfs/dbraw/zinc/47/18/78/1127471878.db2.gz OMNOOIGVQNOQKT-OAHLLOKOSA-N 1 2 281.403 3.612 20 30 CHEDLO Cn1c[nH+]cc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000359746561 1127476290 /nfs/dbraw/zinc/47/62/90/1127476290.db2.gz MNANYQDVVKMLMW-UHFFFAOYSA-N 1 2 297.305 3.603 20 30 CHEDLO Cc1ccc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)[nH]c2c1 ZINC000597079290 1127527208 /nfs/dbraw/zinc/52/72/08/1127527208.db2.gz FNCZFVQWSQFMLF-KRWDZBQOSA-N 1 2 267.376 3.602 20 30 CHEDLO Cc1ccc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)[nH]c2c1 ZINC000597079290 1127527210 /nfs/dbraw/zinc/52/72/10/1127527210.db2.gz FNCZFVQWSQFMLF-KRWDZBQOSA-N 1 2 267.376 3.602 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000597177466 1127532308 /nfs/dbraw/zinc/53/23/08/1127532308.db2.gz MSNIPHANOJHGLT-NSHDSACASA-N 1 2 289.379 3.561 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000597177466 1127532310 /nfs/dbraw/zinc/53/23/10/1127532310.db2.gz MSNIPHANOJHGLT-NSHDSACASA-N 1 2 289.379 3.561 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000597229254 1127534542 /nfs/dbraw/zinc/53/45/42/1127534542.db2.gz KDELEXSTTXOOSS-GOSISDBHSA-N 1 2 284.403 3.744 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000597229254 1127534545 /nfs/dbraw/zinc/53/45/45/1127534545.db2.gz KDELEXSTTXOOSS-GOSISDBHSA-N 1 2 284.403 3.744 20 30 CHEDLO N#CCC[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000361075475 1127535891 /nfs/dbraw/zinc/53/58/91/1127535891.db2.gz YZIFWOVMEBFACL-CKXPSTMWSA-N 1 2 260.406 3.920 20 30 CHEDLO N#CCC[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000361075475 1127535894 /nfs/dbraw/zinc/53/58/94/1127535894.db2.gz YZIFWOVMEBFACL-CKXPSTMWSA-N 1 2 260.406 3.920 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@H]1C[C@H]1c1ccccc1 ZINC000361308547 1127555602 /nfs/dbraw/zinc/55/56/02/1127555602.db2.gz AJPHCGBAAWJEHY-MOPGFXCFSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)C[C@H]1C[C@H]1c1ccccc1 ZINC000361308547 1127555604 /nfs/dbraw/zinc/55/56/04/1127555604.db2.gz AJPHCGBAAWJEHY-MOPGFXCFSA-N 1 2 291.398 3.601 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602465547 1127582471 /nfs/dbraw/zinc/58/24/71/1127582471.db2.gz OAEXJGGKQIZEDV-UHFFFAOYSA-N 1 2 281.350 3.781 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602465547 1127582473 /nfs/dbraw/zinc/58/24/73/1127582473.db2.gz OAEXJGGKQIZEDV-UHFFFAOYSA-N 1 2 281.350 3.781 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)n1 ZINC000602682412 1127606467 /nfs/dbraw/zinc/60/64/67/1127606467.db2.gz RYVNLDLRSGVKDJ-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)n1 ZINC000602682412 1127606469 /nfs/dbraw/zinc/60/64/69/1127606469.db2.gz RYVNLDLRSGVKDJ-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982139 1127624305 /nfs/dbraw/zinc/62/43/05/1127624305.db2.gz OBWREVHXBGTAGX-KBXCAEBGSA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982139 1127624307 /nfs/dbraw/zinc/62/43/07/1127624307.db2.gz OBWREVHXBGTAGX-KBXCAEBGSA-N 1 2 285.435 3.891 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000603428310 1127648442 /nfs/dbraw/zinc/64/84/42/1127648442.db2.gz HFUCLPUUNMRGJN-HZMBPMFUSA-N 1 2 264.319 3.569 20 30 CHEDLO C=CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428796497 1127947250 /nfs/dbraw/zinc/94/72/50/1127947250.db2.gz YJKQSJMFTYTDGY-RISCZKNCSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428796497 1127947251 /nfs/dbraw/zinc/94/72/51/1127947251.db2.gz YJKQSJMFTYTDGY-RISCZKNCSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CCC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000541023905 1128005369 /nfs/dbraw/zinc/00/53/69/1128005369.db2.gz YVSCSSJBYXLKFZ-AWEZNQCLSA-N 1 2 285.309 3.655 20 30 CHEDLO C=CCC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000541023905 1128005372 /nfs/dbraw/zinc/00/53/72/1128005372.db2.gz YVSCSSJBYXLKFZ-AWEZNQCLSA-N 1 2 285.309 3.655 20 30 CHEDLO CNc1ccc(Nc2sc3ccccc3c2C#N)c[nH+]1 ZINC001203450231 1128011013 /nfs/dbraw/zinc/01/10/13/1128011013.db2.gz YAZBMCYJXHCOJE-UHFFFAOYSA-N 1 2 280.356 3.953 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnc(C(C)C)s1)c1ccc(F)cc1 ZINC000491348267 1128068455 /nfs/dbraw/zinc/06/84/55/1128068455.db2.gz CJWKDWCRKQHGSV-HNNXBMFYSA-N 1 2 288.391 3.870 20 30 CHEDLO Cc1cccn2c(/C=C3/Cc4ccc(F)cc4C3=O)c[nH+]c12 ZINC000176410366 1128087233 /nfs/dbraw/zinc/08/72/33/1128087233.db2.gz IVZUMMNIDQGWCZ-JYRVWZFOSA-N 1 2 292.313 3.604 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1cccc(C#N)c1O ZINC000924549088 1128104528 /nfs/dbraw/zinc/10/45/28/1128104528.db2.gz QGZWCUIEOWTPGZ-QGZVFWFLSA-N 1 2 280.371 3.813 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)CC(C)(C)C#N ZINC000925720374 1128138087 /nfs/dbraw/zinc/13/80/87/1128138087.db2.gz GYCCWPAZKUMMKV-CYBMUJFWSA-N 1 2 259.397 3.801 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)CC(C)(C)C#N ZINC000925720374 1128138088 /nfs/dbraw/zinc/13/80/88/1128138088.db2.gz GYCCWPAZKUMMKV-CYBMUJFWSA-N 1 2 259.397 3.801 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCC2(CC2)CC1 ZINC000929800282 1128141396 /nfs/dbraw/zinc/14/13/96/1128141396.db2.gz UUPHBNFOMRYNRP-UHFFFAOYSA-N 1 2 283.419 3.768 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCC2(CC2)CC1 ZINC000929800282 1128141397 /nfs/dbraw/zinc/14/13/97/1128141397.db2.gz UUPHBNFOMRYNRP-UHFFFAOYSA-N 1 2 283.419 3.768 20 30 CHEDLO CC[C@H]([NH2+]CCCCOC(C)C)c1cccc(C#N)c1O ZINC000926131497 1128156590 /nfs/dbraw/zinc/15/65/90/1128156590.db2.gz YVJOAUQKNRMMTL-INIZCTEOSA-N 1 2 290.407 3.510 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000926524228 1128178708 /nfs/dbraw/zinc/17/87/08/1128178708.db2.gz MELRXTRWGIPXKL-GXTWGEPZSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H]([NH2+]CCC1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926560179 1128180688 /nfs/dbraw/zinc/18/06/88/1128180688.db2.gz YSEHWFLPOGHHHW-AWEZNQCLSA-N 1 2 294.345 3.740 20 30 CHEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)c2cccnc2)cc1 ZINC000926628540 1128184762 /nfs/dbraw/zinc/18/47/62/1128184762.db2.gz WWVGGQBIVSXEDB-GOSISDBHSA-N 1 2 291.398 3.763 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(-c2ccccc2)no1 ZINC000926873723 1128199243 /nfs/dbraw/zinc/19/92/43/1128199243.db2.gz IPNJRVIEGGDYAZ-LBPRGKRZSA-N 1 2 269.348 3.542 20 30 CHEDLO O=C1c2cc(Cl)ccc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000762447374 1128300750 /nfs/dbraw/zinc/30/07/50/1128300750.db2.gz PODINQIZWIAPOD-XYOKQWHBSA-N 1 2 294.741 3.810 20 30 CHEDLO C=C[C@@H](CC)CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000930476901 1128320468 /nfs/dbraw/zinc/32/04/68/1128320468.db2.gz ONPYLUGRMLRCQS-LBPRGKRZSA-N 1 2 295.452 3.526 20 30 CHEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(F)cc2)s1 ZINC000916268143 1128414613 /nfs/dbraw/zinc/41/46/13/1128414613.db2.gz MDTQLCRUQLAKCY-UHFFFAOYSA-N 1 2 292.383 3.574 20 30 CHEDLO Cc1ccccc1C[C@@H](C)/[NH+]=C/c1ccccc1O ZINC000917557161 1128507331 /nfs/dbraw/zinc/50/73/31/1128507331.db2.gz ZQILPHYCZORLJZ-CRRKTRLDSA-N 1 2 253.345 3.751 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001212854448 1128599745 /nfs/dbraw/zinc/59/97/45/1128599745.db2.gz GNNPEAUHMVMELA-CQSZACIVSA-N 1 2 282.391 3.691 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1ncccc1F)c1ccco1 ZINC000556880435 1128634469 /nfs/dbraw/zinc/63/44/69/1128634469.db2.gz YJNWCPDZYFAZIB-ZDUSSCGKSA-N 1 2 260.312 3.611 20 30 CHEDLO CC(C)c1[nH+]cc(-c2ccc(C#N)c(Cl)c2)n1C ZINC000600845976 1128684087 /nfs/dbraw/zinc/68/40/87/1128684087.db2.gz UITMKHYPBJJZFB-UHFFFAOYSA-N 1 2 259.740 3.736 20 30 CHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)c(F)c1 ZINC000601066761 1128695335 /nfs/dbraw/zinc/69/53/35/1128695335.db2.gz OXOQYHZBSLMXCR-UHFFFAOYSA-N 1 2 299.349 3.824 20 30 CHEDLO COc1ccc(CC[C@H](C)/[NH+]=C/c2ccccc2O)cc1 ZINC000921260906 1128704533 /nfs/dbraw/zinc/70/45/33/1128704533.db2.gz IBUYUMKFCRJUET-ITRAFESCSA-N 1 2 283.371 3.841 20 30 CHEDLO COc1ccc(CC[C@@H](C)/[NH+]=C\c2ccccc2O)cc1 ZINC000921260909 1128704809 /nfs/dbraw/zinc/70/48/09/1128704809.db2.gz IBUYUMKFCRJUET-RMENWYJGSA-N 1 2 283.371 3.841 20 30 CHEDLO N#CC1(c2ccc(Nc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001212254093 1128708229 /nfs/dbraw/zinc/70/82/29/1128708229.db2.gz WMQNPDJICYDZHY-UHFFFAOYSA-N 1 2 274.327 3.633 20 30 CHEDLO N#CCc1cc[nH+]c(N2CC[C@@H](C3CCCCC3)C2)c1 ZINC001167067276 1117868832 /nfs/dbraw/zinc/86/88/32/1117868832.db2.gz CRKONARUSHGCJD-MRXNPFEDSA-N 1 2 269.392 3.554 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000182334819 1118020804 /nfs/dbraw/zinc/02/08/04/1118020804.db2.gz LZHXKPJCAQMSAX-UHFFFAOYSA-N 1 2 290.382 3.660 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000182334819 1118020809 /nfs/dbraw/zinc/02/08/09/1118020809.db2.gz LZHXKPJCAQMSAX-UHFFFAOYSA-N 1 2 290.382 3.660 20 30 CHEDLO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H](C)C#N ZINC000183814936 1118049545 /nfs/dbraw/zinc/04/95/45/1118049545.db2.gz CTUWJHNHCWBAEJ-CQSZACIVSA-N 1 2 280.371 3.611 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000183817179 1118049670 /nfs/dbraw/zinc/04/96/70/1118049670.db2.gz JGHJMKHPILYCRM-LLVKDONJSA-N 1 2 272.323 3.643 20 30 CHEDLO CCCc1cc(N2CC[C@@](F)(C#N)C2)c2ccccc2[nH+]1 ZINC000615527048 1128752795 /nfs/dbraw/zinc/75/27/95/1128752795.db2.gz UCOGMJWDXDUBFW-QGZVFWFLSA-N 1 2 283.350 3.629 20 30 CHEDLO C#CC[N@@H+](Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000764684291 1118107485 /nfs/dbraw/zinc/10/74/85/1118107485.db2.gz WSLOXAZRWXSDAB-UHFFFAOYSA-N 1 2 259.736 3.684 20 30 CHEDLO C#CC[N@H+](Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000764684291 1118107487 /nfs/dbraw/zinc/10/74/87/1118107487.db2.gz WSLOXAZRWXSDAB-UHFFFAOYSA-N 1 2 259.736 3.684 20 30 CHEDLO Cc1[nH+]cc(Nc2cc(Cl)c(Cl)cc2C#N)cc1N ZINC001210293666 1118236886 /nfs/dbraw/zinc/23/68/86/1118236886.db2.gz OKDORWFSKKFLGW-UHFFFAOYSA-N 1 2 293.157 3.894 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c(C)c1 ZINC000255134101 1118283432 /nfs/dbraw/zinc/28/34/32/1118283432.db2.gz LIYUIHVFEOOECP-CLFYSBASSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cc(C)cc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000255231738 1118512770 /nfs/dbraw/zinc/51/27/70/1118512770.db2.gz GIPPETQGNWYJLL-SREVYHEPSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cc(C)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000334490518 1118553551 /nfs/dbraw/zinc/55/35/51/1118553551.db2.gz JAUZJHCRHWXTAP-CYBMUJFWSA-N 1 2 293.370 3.621 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000926205572 1118731221 /nfs/dbraw/zinc/73/12/21/1118731221.db2.gz GBKQTJRYTNSNSP-ZBEGNZNMSA-N 1 2 291.345 3.666 20 30 CHEDLO CC[C@@H](Nc1[nH+]ccc2ccc(C#N)cc21)C(F)(F)F ZINC001161375003 1118793896 /nfs/dbraw/zinc/79/38/96/1118793896.db2.gz NSGMSPRWBGUUFJ-GFCCVEGCSA-N 1 2 279.265 3.859 20 30 CHEDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000091983373 1118838232 /nfs/dbraw/zinc/83/82/32/1118838232.db2.gz PSDOCWSATOZLQQ-ZDUSSCGKSA-N 1 2 289.379 3.700 20 30 CHEDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000091983373 1118838237 /nfs/dbraw/zinc/83/82/37/1118838237.db2.gz PSDOCWSATOZLQQ-ZDUSSCGKSA-N 1 2 289.379 3.700 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(F)cc1C ZINC000891938098 1118856974 /nfs/dbraw/zinc/85/69/74/1118856974.db2.gz XUVHSTKFOJBQEU-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000247706332 1118911222 /nfs/dbraw/zinc/91/12/22/1118911222.db2.gz ZAFRRPRXRQWHLF-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000247706332 1118911227 /nfs/dbraw/zinc/91/12/27/1118911227.db2.gz ZAFRRPRXRQWHLF-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000255439094 1118941336 /nfs/dbraw/zinc/94/13/36/1118941336.db2.gz BVUGAMGCZOQQOQ-KTKRTIGZSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cccc2[nH]cc(CC/[NH+]=C/c3ccccc3O)c21 ZINC000728437830 1118946317 /nfs/dbraw/zinc/94/63/17/1118946317.db2.gz KCHXYTKWPVJOCR-YBFXNURJSA-N 1 2 278.355 3.844 20 30 CHEDLO COc1cccc(/C=[NH+]\CCCOC2CCCCC2)c1O ZINC000255501817 1119064785 /nfs/dbraw/zinc/06/47/85/1119064785.db2.gz BZNJYCZWHAPLAG-AQTBWJFISA-N 1 2 291.391 3.559 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464557 1119078739 /nfs/dbraw/zinc/07/87/39/1119078739.db2.gz JNPOBMDBUXVQBJ-CHWSQXEVSA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464557 1119078743 /nfs/dbraw/zinc/07/87/43/1119078743.db2.gz JNPOBMDBUXVQBJ-CHWSQXEVSA-N 1 2 292.810 3.626 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1nc(C)cs1 ZINC000162026998 1119265839 /nfs/dbraw/zinc/26/58/39/1119265839.db2.gz GCTDHULCCGUIDW-CQSZACIVSA-N 1 2 271.389 3.564 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1C ZINC000255569453 1119372183 /nfs/dbraw/zinc/37/21/83/1119372183.db2.gz XFXNNPVLCAUSPU-HJWRWDBZSA-N 1 2 276.339 3.847 20 30 CHEDLO COc1ccc(C#N)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213090110 1119393981 /nfs/dbraw/zinc/39/39/81/1119393981.db2.gz UVKZSCTVHSQQMX-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000157739100 1119412817 /nfs/dbraw/zinc/41/28/17/1119412817.db2.gz XIUIGOXOQKCXBV-OAHLLOKOSA-N 1 2 292.810 3.653 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000157739100 1119412819 /nfs/dbraw/zinc/41/28/19/1119412819.db2.gz XIUIGOXOQKCXBV-OAHLLOKOSA-N 1 2 292.810 3.653 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1coc2ccccc12 ZINC000255597449 1119551039 /nfs/dbraw/zinc/55/10/39/1119551039.db2.gz DFGBKGDDFXUKKM-HJWRWDBZSA-N 1 2 288.306 3.977 20 30 CHEDLO CCCCOc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000468407122 1119623972 /nfs/dbraw/zinc/62/39/72/1119623972.db2.gz DXWIAFGORSUDOE-UHFFFAOYSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000468407122 1119623973 /nfs/dbraw/zinc/62/39/73/1119623973.db2.gz DXWIAFGORSUDOE-UHFFFAOYSA-N 1 2 286.419 3.991 20 30 CHEDLO C=CCC[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000658115951 1119684738 /nfs/dbraw/zinc/68/47/38/1119684738.db2.gz XXNNDJCJWVSRTA-AWEZNQCLSA-N 1 2 269.335 3.946 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(F)ccc1OC ZINC000361181676 1119916594 /nfs/dbraw/zinc/91/65/94/1119916594.db2.gz PXCLRFPEEZGYHO-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(F)ccc1OC ZINC000361181676 1119916595 /nfs/dbraw/zinc/91/65/95/1119916595.db2.gz PXCLRFPEEZGYHO-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCCn1c2ccccc2[nH+]c1NCc1cc(C#N)cs1 ZINC000181479268 1128882018 /nfs/dbraw/zinc/88/20/18/1128882018.db2.gz OUDJQPONMWCHDN-UHFFFAOYSA-N 1 2 296.399 3.992 20 30 CHEDLO COc1c[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c2[nH]ccc21 ZINC001167707207 1120039021 /nfs/dbraw/zinc/03/90/21/1120039021.db2.gz KBNXZYRGUFXNCE-NSHDSACASA-N 1 2 292.342 3.616 20 30 CHEDLO CNc1ccc(Nc2cc(Cl)c(C)cc2C#N)c[nH+]1 ZINC001203461905 1120050835 /nfs/dbraw/zinc/05/08/35/1120050835.db2.gz DRVGKBNZHKRMLS-UHFFFAOYSA-N 1 2 272.739 3.700 20 30 CHEDLO COc1cccc(N[NH+]=C(C)c2ccc(N)cc2Cl)c1 ZINC000782899641 1120061289 /nfs/dbraw/zinc/06/12/89/1120061289.db2.gz BIFBIWLHLZZMRQ-UHFFFAOYSA-N 1 2 289.766 3.767 20 30 CHEDLO CC1CC[NH+](c2ccc(Nc3cccc(C#N)n3)cc2)CC1 ZINC000301846168 1120145538 /nfs/dbraw/zinc/14/55/38/1120145538.db2.gz MPONXTKVXCAAEH-UHFFFAOYSA-N 1 2 292.386 3.933 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000613666825 1120158266 /nfs/dbraw/zinc/15/82/66/1120158266.db2.gz BAIASMWWXSFIOC-RBSFLKMASA-N 1 2 278.346 3.535 20 30 CHEDLO Cc1ccccc1C[C@@H]([NH2+]CC1(C#N)CC1)c1ccco1 ZINC000926873314 1120173228 /nfs/dbraw/zinc/17/32/28/1120173228.db2.gz FLAFFIYZYGVCEE-MRXNPFEDSA-N 1 2 280.371 3.765 20 30 CHEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](C#N)CCC#N ZINC000072589680 1120197584 /nfs/dbraw/zinc/19/75/84/1120197584.db2.gz TZKHYISRBPSERD-ZDUSSCGKSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](C#N)CCC#N ZINC000072589680 1120197587 /nfs/dbraw/zinc/19/75/87/1120197587.db2.gz TZKHYISRBPSERD-ZDUSSCGKSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCC[C@H]1C#N ZINC000250225490 1120203347 /nfs/dbraw/zinc/20/33/47/1120203347.db2.gz JNRHWOSOGQALOE-ONGXEEELSA-N 1 2 254.786 3.526 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCC[C@H]1C#N ZINC000250225490 1120203348 /nfs/dbraw/zinc/20/33/48/1120203348.db2.gz JNRHWOSOGQALOE-ONGXEEELSA-N 1 2 254.786 3.526 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(CC)s1)Cc1cccc(C#N)c1 ZINC000092504229 1120494365 /nfs/dbraw/zinc/49/43/65/1120494365.db2.gz KAOQRYVIEFJUAP-UHFFFAOYSA-N 1 2 297.427 3.765 20 30 CHEDLO C=CC[N@H+](Cc1cnc(CC)s1)Cc1cccc(C#N)c1 ZINC000092504229 1120494366 /nfs/dbraw/zinc/49/43/66/1120494366.db2.gz KAOQRYVIEFJUAP-UHFFFAOYSA-N 1 2 297.427 3.765 20 30 CHEDLO N#Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cs1 ZINC000922334929 1120519209 /nfs/dbraw/zinc/51/92/09/1120519209.db2.gz HLCDECDADNFLTF-HOTGVXAUSA-N 1 2 286.375 3.735 20 30 CHEDLO CC[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000925657085 1120527067 /nfs/dbraw/zinc/52/70/67/1120527067.db2.gz IDQDEEPYLMDIJO-CQSZACIVSA-N 1 2 294.345 3.882 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(F)(F)F)cs1 ZINC000662087661 1120872501 /nfs/dbraw/zinc/87/25/01/1120872501.db2.gz HIZYNGITJVNVMX-AOOOYVTPSA-N 1 2 288.338 3.845 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(F)(F)F)cs1 ZINC000662087661 1120872504 /nfs/dbraw/zinc/87/25/04/1120872504.db2.gz HIZYNGITJVNVMX-AOOOYVTPSA-N 1 2 288.338 3.845 20 30 CHEDLO C=CC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000473172011 1120915795 /nfs/dbraw/zinc/91/57/95/1120915795.db2.gz IEKSXBPXKWABTH-ZDUSSCGKSA-N 1 2 287.350 3.981 20 30 CHEDLO C=CC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000473172011 1120915799 /nfs/dbraw/zinc/91/57/99/1120915799.db2.gz IEKSXBPXKWABTH-ZDUSSCGKSA-N 1 2 287.350 3.981 20 30 CHEDLO N#Cc1c(NCCCCn2cc[nH+]c2)cccc1C(F)F ZINC000570060895 1121028219 /nfs/dbraw/zinc/02/82/19/1121028219.db2.gz XACPXVUNWYBVAJ-UHFFFAOYSA-N 1 2 290.317 3.585 20 30 CHEDLO C=CCc1cccc(C[N@H+]2CC[C@H](C)C(F)(F)C2)c1O ZINC001138625337 1128975248 /nfs/dbraw/zinc/97/52/48/1128975248.db2.gz JNMKOUNAPQDJHF-LBPRGKRZSA-N 1 2 281.346 3.598 20 30 CHEDLO C=CCc1cccc(C[N@@H+]2CC[C@H](C)C(F)(F)C2)c1O ZINC001138625337 1128975250 /nfs/dbraw/zinc/97/52/50/1128975250.db2.gz JNMKOUNAPQDJHF-LBPRGKRZSA-N 1 2 281.346 3.598 20 30 CHEDLO CN(C)c1ccc(Nc2sc3c(c2C#N)CCCC3)c[nH+]1 ZINC001175337706 1121289128 /nfs/dbraw/zinc/28/91/28/1121289128.db2.gz JLOFVJYIPKQHNY-UHFFFAOYSA-N 1 2 298.415 3.703 20 30 CHEDLO N#Cc1cc(Cl)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350505 1121292608 /nfs/dbraw/zinc/29/26/08/1121292608.db2.gz AIPWCUZYVKWDGI-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC001175351413 1121293771 /nfs/dbraw/zinc/29/37/71/1121293771.db2.gz LCNZUGHVPMFWBW-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175352964 1121294484 /nfs/dbraw/zinc/29/44/84/1121294484.db2.gz SFDFJMQATYSAAE-UHFFFAOYSA-N 1 2 281.334 3.546 20 30 CHEDLO Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175712711 1121435008 /nfs/dbraw/zinc/43/50/08/1121435008.db2.gz HXWSOHJZVUPJTG-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143545702 1121448356 /nfs/dbraw/zinc/44/83/56/1121448356.db2.gz ZJMHIQGLGVIOEW-UHFFFAOYSA-N 1 2 289.272 3.898 20 30 CHEDLO Cc1cc(C#N)c(Nc2c[nH+]c(N)cc2C(F)(F)F)s1 ZINC001175710181 1121449642 /nfs/dbraw/zinc/44/96/42/1121449642.db2.gz XMONCGWUMBNQFQ-UHFFFAOYSA-N 1 2 298.293 3.668 20 30 CHEDLO C#CC[N@@H+](Cc1csc(CCC(C)C)n1)C(C)(C)C ZINC001176281693 1121586524 /nfs/dbraw/zinc/58/65/24/1121586524.db2.gz OUJPBTGUACEROX-UHFFFAOYSA-N 1 2 278.465 3.965 20 30 CHEDLO C#CC[N@H+](Cc1csc(CCC(C)C)n1)C(C)(C)C ZINC001176281693 1121586530 /nfs/dbraw/zinc/58/65/30/1121586530.db2.gz OUJPBTGUACEROX-UHFFFAOYSA-N 1 2 278.465 3.965 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000509818036 1121619862 /nfs/dbraw/zinc/61/98/62/1121619862.db2.gz FFNVBPIPSLSECE-CQSZACIVSA-N 1 2 272.392 3.599 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000509818036 1121619864 /nfs/dbraw/zinc/61/98/64/1121619864.db2.gz FFNVBPIPSLSECE-CQSZACIVSA-N 1 2 272.392 3.599 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cccc(C#N)c1F ZINC000611371867 1121640706 /nfs/dbraw/zinc/64/07/06/1121640706.db2.gz XNESSQJFUTYMMM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611371867 1121640710 /nfs/dbraw/zinc/64/07/10/1121640710.db2.gz XNESSQJFUTYMMM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 ZINC000611388594 1121642151 /nfs/dbraw/zinc/64/21/51/1121642151.db2.gz KQCCRZOFEANLIO-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176748982 1121687160 /nfs/dbraw/zinc/68/71/60/1121687160.db2.gz MQFGWOMATUYQLB-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000397661206 1121691866 /nfs/dbraw/zinc/69/18/66/1121691866.db2.gz CMNYXNBNORHLTP-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000397661206 1121691869 /nfs/dbraw/zinc/69/18/69/1121691869.db2.gz CMNYXNBNORHLTP-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397849432 1121701033 /nfs/dbraw/zinc/70/10/33/1121701033.db2.gz RGRQBJISGXVYTF-GFCCVEGCSA-N 1 2 277.437 3.566 20 30 CHEDLO CCc1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000731153517 1121850359 /nfs/dbraw/zinc/85/03/59/1121850359.db2.gz PZVGJGZSVUFLCE-UHFFFAOYSA-N 1 2 281.384 3.727 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC001180030817 1121938285 /nfs/dbraw/zinc/93/82/85/1121938285.db2.gz QADUBWLGLPGCDS-WLMCBFPDSA-N 1 2 256.393 3.859 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC001180030817 1121938287 /nfs/dbraw/zinc/93/82/87/1121938287.db2.gz QADUBWLGLPGCDS-WLMCBFPDSA-N 1 2 256.393 3.859 20 30 CHEDLO C=CCC(CC=C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231082982 1121963739 /nfs/dbraw/zinc/96/37/39/1121963739.db2.gz YVMUKPBMBWGJCB-UHFFFAOYSA-N 1 2 268.360 3.987 20 30 CHEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccccc1Cl ZINC001180532317 1121994384 /nfs/dbraw/zinc/99/43/84/1121994384.db2.gz PDCGFVQXQLUPSY-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1Cl ZINC001180532317 1121994389 /nfs/dbraw/zinc/99/43/89/1121994389.db2.gz PDCGFVQXQLUPSY-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC001181114845 1122032655 /nfs/dbraw/zinc/03/26/55/1122032655.db2.gz WMTJPNUBQRDEEX-UHFFFAOYSA-N 1 2 292.716 3.780 20 30 CHEDLO N#Cc1ccc(N[NH+]=C2CCCNc3ccccc32)cc1 ZINC000774370765 1122158223 /nfs/dbraw/zinc/15/82/23/1122158223.db2.gz OLFGRISSTIGADR-UHFFFAOYSA-N 1 2 276.343 3.580 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3ccncc3s1)C2 ZINC001182595873 1122178488 /nfs/dbraw/zinc/17/84/88/1122178488.db2.gz XMWCAALHLPHSIU-UHFFFAOYSA-N 1 2 291.379 3.684 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3ccncc3s1)C2 ZINC001182595873 1122178489 /nfs/dbraw/zinc/17/84/89/1122178489.db2.gz XMWCAALHLPHSIU-UHFFFAOYSA-N 1 2 291.379 3.684 20 30 CHEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OCC ZINC001183312475 1122217089 /nfs/dbraw/zinc/21/70/89/1122217089.db2.gz KMXPNGTVLPQMTO-ZIAGYGMSSA-N 1 2 289.847 3.865 20 30 CHEDLO Cc1cc(C)c(Nc2ccc[nH+]c2N2CCCC2)cc1C#N ZINC001185044577 1122313348 /nfs/dbraw/zinc/31/33/48/1122313348.db2.gz UKKBGGRUEWVCKE-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cncn1C(C)C ZINC000425323957 1122452915 /nfs/dbraw/zinc/45/29/15/1122452915.db2.gz LVJBRMTXYAJWSZ-UHFFFAOYSA-N 1 2 275.421 3.714 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncn1C(C)C ZINC000425323957 1122452918 /nfs/dbraw/zinc/45/29/18/1122452918.db2.gz LVJBRMTXYAJWSZ-UHFFFAOYSA-N 1 2 275.421 3.714 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c2c(OC)cccc12 ZINC000435600603 1122479105 /nfs/dbraw/zinc/47/91/05/1122479105.db2.gz DQPGULARYAXTCW-ACJLOTCBSA-N 1 2 298.386 3.637 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)CC1CCCCCC1 ZINC000505853696 1122566983 /nfs/dbraw/zinc/56/69/83/1122566983.db2.gz RRGMDQRFUZWDQG-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)CC1CCCCCC1 ZINC000505853696 1122566986 /nfs/dbraw/zinc/56/69/86/1122566986.db2.gz RRGMDQRFUZWDQG-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO CC[N@H+](CC#N)CC(Cc1ccccc1)Cc1ccccc1 ZINC000516168971 1122574848 /nfs/dbraw/zinc/57/48/48/1122574848.db2.gz ROLYVZPSEKUSJE-UHFFFAOYSA-N 1 2 292.426 3.933 20 30 CHEDLO CC[N@@H+](CC#N)CC(Cc1ccccc1)Cc1ccccc1 ZINC000516168971 1122574850 /nfs/dbraw/zinc/57/48/50/1122574850.db2.gz ROLYVZPSEKUSJE-UHFFFAOYSA-N 1 2 292.426 3.933 20 30 CHEDLO CCC(CC)C[N@@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000437581354 1122643354 /nfs/dbraw/zinc/64/33/54/1122643354.db2.gz RRTGEWQAAVOVBA-UHFFFAOYSA-N 1 2 286.394 3.829 20 30 CHEDLO CCC(CC)C[N@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000437581354 1122643356 /nfs/dbraw/zinc/64/33/56/1122643356.db2.gz RRTGEWQAAVOVBA-UHFFFAOYSA-N 1 2 286.394 3.829 20 30 CHEDLO CCC[N@H+](CC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437690677 1122649836 /nfs/dbraw/zinc/64/98/36/1122649836.db2.gz ZPBKMYGJZFRVTR-SJORKVTESA-N 1 2 256.393 3.732 20 30 CHEDLO CCC[N@@H+](CC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437690677 1122649841 /nfs/dbraw/zinc/64/98/41/1122649841.db2.gz ZPBKMYGJZFRVTR-SJORKVTESA-N 1 2 256.393 3.732 20 30 CHEDLO CCC[N@H+](CC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437690672 1122649883 /nfs/dbraw/zinc/64/98/83/1122649883.db2.gz ZPBKMYGJZFRVTR-DLBZAZTESA-N 1 2 256.393 3.732 20 30 CHEDLO CCC[N@@H+](CC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437690672 1122649886 /nfs/dbraw/zinc/64/98/86/1122649886.db2.gz ZPBKMYGJZFRVTR-DLBZAZTESA-N 1 2 256.393 3.732 20 30 CHEDLO N#CCC[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000093109616 1122763808 /nfs/dbraw/zinc/76/38/08/1122763808.db2.gz ANXNVXADCXSJDF-AWEZNQCLSA-N 1 2 297.427 3.766 20 30 CHEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC(F)(F)F ZINC000426397590 1122783279 /nfs/dbraw/zinc/78/32/79/1122783279.db2.gz ULBYUAGYSOSVPB-UHFFFAOYSA-N 1 2 275.701 3.576 20 30 CHEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CCC(F)(F)F ZINC000426397590 1122783280 /nfs/dbraw/zinc/78/32/80/1122783280.db2.gz ULBYUAGYSOSVPB-UHFFFAOYSA-N 1 2 275.701 3.576 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000426753398 1122914340 /nfs/dbraw/zinc/91/43/40/1122914340.db2.gz ICLWYQPIRSRNIM-SECBINFHSA-N 1 2 269.175 3.948 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCc2ccccc2C1 ZINC000441153493 1123062910 /nfs/dbraw/zinc/06/29/10/1123062910.db2.gz GJODQNCSNOLQPD-UHFFFAOYSA-N 1 2 281.786 3.750 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCc2ccccc2C1 ZINC000441153493 1123062912 /nfs/dbraw/zinc/06/29/12/1123062912.db2.gz GJODQNCSNOLQPD-UHFFFAOYSA-N 1 2 281.786 3.750 20 30 CHEDLO C[Si](C)(C)C#Cc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201295791 1123084852 /nfs/dbraw/zinc/08/48/52/1123084852.db2.gz RNGWOOXCCHYBRL-UHFFFAOYSA-N 1 2 281.435 3.636 20 30 CHEDLO N#Cc1c(Cl)ccc(Nc2ccc(N)[nH+]c2)c1Cl ZINC001201295843 1123085640 /nfs/dbraw/zinc/08/56/40/1123085640.db2.gz UEHGNXQROOGVTP-UHFFFAOYSA-N 1 2 279.130 3.586 20 30 CHEDLO Cc1cc(Nc2ccc([NH2+]C(C)C)cc2)cnc1C#N ZINC001201490553 1123109428 /nfs/dbraw/zinc/10/94/28/1123109428.db2.gz GMHCAIFKKFVKAS-UHFFFAOYSA-N 1 2 266.348 3.826 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+](CC)C[C@@H](C)C#N ZINC000155214284 1129100198 /nfs/dbraw/zinc/10/01/98/1129100198.db2.gz JGYMUVOGXBVWRZ-NHYWBVRUSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+](CC)C[C@@H](C)C#N ZINC000155214284 1129100200 /nfs/dbraw/zinc/10/02/00/1129100200.db2.gz JGYMUVOGXBVWRZ-NHYWBVRUSA-N 1 2 266.335 3.897 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000776252608 1123179788 /nfs/dbraw/zinc/17/97/88/1123179788.db2.gz NJHIVIMMWJDTSJ-INIZCTEOSA-N 1 2 285.774 3.900 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(F)c1F ZINC000776259806 1123185530 /nfs/dbraw/zinc/18/55/30/1123185530.db2.gz QFOYYEKRZXCGJY-UHFFFAOYSA-N 1 2 297.308 3.771 20 30 CHEDLO N#CC[N@@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000109760909 1123325619 /nfs/dbraw/zinc/32/56/19/1123325619.db2.gz HUZPHMPMTMOXIP-UHFFFAOYSA-N 1 2 280.371 3.814 20 30 CHEDLO N#CC[N@H+](Cc1c(O)ccc2ccccc21)C1CCCC1 ZINC000109760909 1123325622 /nfs/dbraw/zinc/32/56/22/1123325622.db2.gz HUZPHMPMTMOXIP-UHFFFAOYSA-N 1 2 280.371 3.814 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@]1(C)CC1(F)F ZINC000853848543 1123459011 /nfs/dbraw/zinc/45/90/11/1123459011.db2.gz DNTAHJOGSDFNOC-HNNXBMFYSA-N 1 2 294.345 3.721 20 30 CHEDLO C=C(C)COc1cc(CNc2cccc[nH+]2)ccc1OC ZINC000157436424 1129127584 /nfs/dbraw/zinc/12/75/84/1129127584.db2.gz HCWLWRJTYVOWEV-UHFFFAOYSA-N 1 2 284.359 3.657 20 30 CHEDLO CCCCCCCC[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857974364 1123627742 /nfs/dbraw/zinc/62/77/42/1123627742.db2.gz GTNWNWNNYPKOKZ-CABCVRRESA-N 1 2 291.439 3.831 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC=C(Br)C1 ZINC000281658600 1123735990 /nfs/dbraw/zinc/73/59/90/1123735990.db2.gz OIJGMYSRTNHXTB-LLVKDONJSA-N 1 2 291.192 3.604 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC=C(Br)C1 ZINC000281658600 1123735992 /nfs/dbraw/zinc/73/59/92/1123735992.db2.gz OIJGMYSRTNHXTB-LLVKDONJSA-N 1 2 291.192 3.604 20 30 CHEDLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C#N ZINC000042324026 1123783191 /nfs/dbraw/zinc/78/31/91/1123783191.db2.gz VMGZTSABXMRQHI-JTQLQIEISA-N 1 2 271.191 3.975 20 30 CHEDLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C#N ZINC000042324026 1123783195 /nfs/dbraw/zinc/78/31/95/1123783195.db2.gz VMGZTSABXMRQHI-JTQLQIEISA-N 1 2 271.191 3.975 20 30 CHEDLO CCCCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000862360361 1123803476 /nfs/dbraw/zinc/80/34/76/1123803476.db2.gz HKDBDTMYTONSLT-UHFFFAOYSA-N 1 2 299.418 3.632 20 30 CHEDLO C=CCOc1c(Cl)cc(C[NH+]2CC3(CC3)C2)cc1OC ZINC000862381696 1123804859 /nfs/dbraw/zinc/80/48/59/1123804859.db2.gz HSKAYKNIYYILFU-UHFFFAOYSA-N 1 2 293.794 3.509 20 30 CHEDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(OCC#N)cc1 ZINC000192962571 1123868692 /nfs/dbraw/zinc/86/86/92/1123868692.db2.gz NKZFLLYKDGMOEM-AWEZNQCLSA-N 1 2 295.386 3.828 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)s2)ccc1[NH+](C)C ZINC000120181003 1123940574 /nfs/dbraw/zinc/94/05/74/1123940574.db2.gz PTXXVLCNNKTEAA-UHFFFAOYSA-N 1 2 271.389 3.606 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1cccc(C#N)c1O ZINC000866211661 1124037215 /nfs/dbraw/zinc/03/72/15/1124037215.db2.gz GEWBDCZCPOMRCG-UGSOOPFHSA-N 1 2 292.382 3.992 20 30 CHEDLO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214418 1124037720 /nfs/dbraw/zinc/03/77/20/1124037720.db2.gz CEHLVGQOQVFWNI-OLZOCXBDSA-N 1 2 284.359 3.529 20 30 CHEDLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866240240 1124040432 /nfs/dbraw/zinc/04/04/32/1124040432.db2.gz ZDCWQQLPPSHOLT-CHWSQXEVSA-N 1 2 296.370 3.684 20 30 CHEDLO CCc1ccccc1CC[N@H+](CCC#N)Cc1ccco1 ZINC000444650182 1124047806 /nfs/dbraw/zinc/04/78/06/1124047806.db2.gz NXPAKFUPYQUBRP-UHFFFAOYSA-N 1 2 282.387 3.800 20 30 CHEDLO CCc1ccccc1CC[N@@H+](CCC#N)Cc1ccco1 ZINC000444650182 1124047809 /nfs/dbraw/zinc/04/78/09/1124047809.db2.gz NXPAKFUPYQUBRP-UHFFFAOYSA-N 1 2 282.387 3.800 20 30 CHEDLO C#CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC000866309753 1124049904 /nfs/dbraw/zinc/04/99/04/1124049904.db2.gz AZAIMINYKXNWKJ-JENIJYKNSA-N 1 2 295.357 3.812 20 30 CHEDLO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866311129 1124050408 /nfs/dbraw/zinc/05/04/08/1124050408.db2.gz KRKMUVPIOILUNN-OLZOCXBDSA-N 1 2 295.386 3.633 20 30 CHEDLO CC#CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444701992 1124054588 /nfs/dbraw/zinc/05/45/88/1124054588.db2.gz XLGFLIPRLVUQCU-BBRMVZONSA-N 1 2 277.795 3.515 20 30 CHEDLO Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866389291 1124060815 /nfs/dbraw/zinc/06/08/15/1124060815.db2.gz KETINULUWVXBIX-AWEZNQCLSA-N 1 2 280.371 3.732 20 30 CHEDLO C=CC[C@@H]1[N@H+](Cc2noc(C(C)C)n2)CCCC1(C)C ZINC000444788453 1124064780 /nfs/dbraw/zinc/06/47/80/1124064780.db2.gz VNALRZOQJDBSJJ-ZDUSSCGKSA-N 1 2 277.412 3.760 20 30 CHEDLO C=CC[C@@H]1[N@@H+](Cc2noc(C(C)C)n2)CCCC1(C)C ZINC000444788453 1124064783 /nfs/dbraw/zinc/06/47/83/1124064783.db2.gz VNALRZOQJDBSJJ-ZDUSSCGKSA-N 1 2 277.412 3.760 20 30 CHEDLO Cc1scc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1C ZINC000866429264 1124065608 /nfs/dbraw/zinc/06/56/08/1124065608.db2.gz JMTIFMMOJJANGP-NSHDSACASA-N 1 2 286.400 3.793 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccco1 ZINC000866564846 1124082787 /nfs/dbraw/zinc/08/27/87/1124082787.db2.gz CYQGUKJIYAGVAK-LBPRGKRZSA-N 1 2 295.333 3.748 20 30 CHEDLO C=CC[N@@H+](Cc1oc(CC)nc1C)Cc1cccc(C#N)c1 ZINC000428454221 1124123277 /nfs/dbraw/zinc/12/32/77/1124123277.db2.gz CQBDDEKZPZNZLJ-UHFFFAOYSA-N 1 2 295.386 3.605 20 30 CHEDLO C=CC[N@H+](Cc1oc(CC)nc1C)Cc1cccc(C#N)c1 ZINC000428454221 1124123279 /nfs/dbraw/zinc/12/32/79/1124123279.db2.gz CQBDDEKZPZNZLJ-UHFFFAOYSA-N 1 2 295.386 3.605 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(F)cc(C)c1Cl ZINC001238782771 1131246352 /nfs/dbraw/zinc/24/63/52/1131246352.db2.gz XZJCLRVSVCZMON-UHFFFAOYSA-N 1 2 253.748 3.962 20 30 CHEDLO C[N@@H+]1CCCc2cc(NCc3cc(C#N)cs3)ccc21 ZINC000123362964 1124589280 /nfs/dbraw/zinc/58/92/80/1124589280.db2.gz ICQXJZQQNDNDEM-UHFFFAOYSA-N 1 2 283.400 3.614 20 30 CHEDLO C[N@H+]1CCCc2cc(NCc3cc(C#N)cs3)ccc21 ZINC000123362964 1124589281 /nfs/dbraw/zinc/58/92/81/1124589281.db2.gz ICQXJZQQNDNDEM-UHFFFAOYSA-N 1 2 283.400 3.614 20 30 CHEDLO COc1cc(F)cc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000449022149 1124639084 /nfs/dbraw/zinc/63/90/84/1124639084.db2.gz HDPJNSBETDOJSZ-UHFFFAOYSA-N 1 2 278.371 3.596 20 30 CHEDLO COc1cc(F)cc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000449022149 1124639089 /nfs/dbraw/zinc/63/90/89/1124639089.db2.gz HDPJNSBETDOJSZ-UHFFFAOYSA-N 1 2 278.371 3.596 20 30 CHEDLO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528663432 1124737205 /nfs/dbraw/zinc/73/72/05/1124737205.db2.gz ZTTYOIWJSSMKIZ-SFHVURJKSA-N 1 2 295.361 3.723 20 30 CHEDLO COc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1C ZINC001238984411 1131286703 /nfs/dbraw/zinc/28/67/03/1131286703.db2.gz STORLZQHQYGQTB-UDWIEESQSA-N 1 2 293.370 3.764 20 30 CHEDLO Nc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000821027301 1131315916 /nfs/dbraw/zinc/31/59/16/1131315916.db2.gz FVQFPLHWWTWVDS-KTAJNNJTSA-N 1 2 293.153 3.867 20 30 CHEDLO C=CCC[C@@H](C(=O)OCc1c[nH+]cn1CC)c1ccccc1 ZINC001123473523 1131314837 /nfs/dbraw/zinc/31/48/37/1131314837.db2.gz SLDIDSXIDXIYND-QGZVFWFLSA-N 1 2 298.386 3.696 20 30 CHEDLO Nc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000821038848 1131316754 /nfs/dbraw/zinc/31/67/54/1131316754.db2.gz NDMWWVFPJPOHRE-XFSBKJJWSA-N 1 2 292.260 3.579 20 30 CHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000876689210 1124971633 /nfs/dbraw/zinc/97/16/33/1124971633.db2.gz ABXXLJPXUIEPAV-UHFFFAOYSA-N 1 2 297.789 3.555 20 30 CHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC000876689210 1124971641 /nfs/dbraw/zinc/97/16/41/1124971641.db2.gz ABXXLJPXUIEPAV-UHFFFAOYSA-N 1 2 297.789 3.555 20 30 CHEDLO C[C@H](CCC#N)CNc1ccc([NH+]2CCCC2)cc1 ZINC000876820178 1124981497 /nfs/dbraw/zinc/98/14/97/1124981497.db2.gz LUAHSWGEZFRQOJ-CQSZACIVSA-N 1 2 257.381 3.639 20 30 CHEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000876820178 1124981502 /nfs/dbraw/zinc/98/15/02/1124981502.db2.gz LUAHSWGEZFRQOJ-CQSZACIVSA-N 1 2 257.381 3.639 20 30 CHEDLO C#C[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(Cl)cc1 ZINC000877540559 1125043671 /nfs/dbraw/zinc/04/36/71/1125043671.db2.gz CFTHERFOSGIVMP-PXAZEXFGSA-N 1 2 299.805 3.772 20 30 CHEDLO C=CC[N@@H+](Cc1ncccc1Br)C(C)(C)C ZINC000878949670 1125186412 /nfs/dbraw/zinc/18/64/12/1125186412.db2.gz INTTUGRRZDVHIW-UHFFFAOYSA-N 1 2 283.213 3.631 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000530902556 1125185461 /nfs/dbraw/zinc/18/54/61/1125185461.db2.gz LXZHWYYXMVYUER-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000530902556 1125185464 /nfs/dbraw/zinc/18/54/64/1125185464.db2.gz LXZHWYYXMVYUER-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C=CC[N@H+](Cc1ncccc1Br)C(C)(C)C ZINC000878949670 1125186410 /nfs/dbraw/zinc/18/64/10/1125186410.db2.gz INTTUGRRZDVHIW-UHFFFAOYSA-N 1 2 283.213 3.631 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000880388965 1125271030 /nfs/dbraw/zinc/27/10/30/1125271030.db2.gz CWCLIVVSMBOUQG-HNNXBMFYSA-N 1 2 273.405 3.725 20 30 CHEDLO COc1cc(C)ccc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000740765205 1125313353 /nfs/dbraw/zinc/31/33/53/1125313353.db2.gz SDXQJLSLMDNMMO-CLFYSBASSA-N 1 2 292.338 3.547 20 30 CHEDLO N#CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000123694942 1125431671 /nfs/dbraw/zinc/43/16/71/1125431671.db2.gz ALORKVFSTMOHHF-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO CCc1ccc(CC/[NH+]=C/c2cccc(OC)c2O)cc1 ZINC000735978532 1129360777 /nfs/dbraw/zinc/36/07/77/1129360777.db2.gz HPFOHWSUJIRMFH-CPNJWEJPSA-N 1 2 283.371 3.625 20 30 CHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc[nH+]cc1F ZINC000641594610 1129385230 /nfs/dbraw/zinc/38/52/30/1129385230.db2.gz MWCQNBLDBVJSLA-UHFFFAOYSA-N 1 2 288.370 3.581 20 30 CHEDLO Cc1cccc2c1C/C(=C/c1c[nH+]c3c(C)cccn13)C2=O ZINC000741469064 1129437640 /nfs/dbraw/zinc/43/76/40/1129437640.db2.gz ZWYHLSJAHMMTDU-ZROIWOOFSA-N 1 2 288.350 3.774 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(SCC(F)F)cc1 ZINC000741842733 1129455929 /nfs/dbraw/zinc/45/59/29/1129455929.db2.gz MSZVBYVRTHMZOZ-AATRIKPKSA-N 1 2 294.326 3.663 20 30 CHEDLO Cc1ccc2c(cc[nH+]c2NC=CC(=O)C(F)(F)F)c1 ZINC001169476448 1129730782 /nfs/dbraw/zinc/73/07/82/1129730782.db2.gz BYRCBEBGURSMKP-FNORWQNLSA-N 1 2 280.249 3.600 20 30 CHEDLO Cn1c[nH+]c2ccc(NC34CCC(C#N)(CC3)CC4)cc21 ZINC001169750453 1129752459 /nfs/dbraw/zinc/75/24/59/1129752459.db2.gz AAIMPLMNPIYRLM-UHFFFAOYSA-N 1 2 280.375 3.602 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCc2cccc3[nH]ccc32)c1 ZINC000800720410 1129885685 /nfs/dbraw/zinc/88/56/85/1129885685.db2.gz CTUGSTADOMGRGO-UNOMPAQXSA-N 1 2 294.354 3.544 20 30 CHEDLO O=C1c2ccsc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000769610454 1129919364 /nfs/dbraw/zinc/91/93/64/1129919364.db2.gz QGUZTCLBOKQKHU-ZHACJKMWSA-N 1 2 280.352 3.608 20 30 CHEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)CO2 ZINC000901463180 1129927572 /nfs/dbraw/zinc/92/75/72/1129927572.db2.gz HSLKLZOYJHBSLG-VGOFMYFVSA-N 1 2 296.370 3.740 20 30 CHEDLO Cc1[nH]c(/C=C2\C(=O)c3ccccc3C2(C)C)[nH+]c1C ZINC000901464527 1129927686 /nfs/dbraw/zinc/92/76/86/1129927686.db2.gz KPDTZRNSFQUQNE-NTEUORMPSA-N 1 2 266.344 3.584 20 30 CHEDLO Cc1[nH]c(/C=C2\C[C@H](C)c3ccccc3C2=O)[nH+]c1C ZINC000901486309 1129929760 /nfs/dbraw/zinc/92/97/60/1129929760.db2.gz ARSRTGWKSVILOM-YWEFTTLKSA-N 1 2 266.344 3.800 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\CCOc2c(C)cc(C)cc2C1=O ZINC000901485724 1129929838 /nfs/dbraw/zinc/92/98/38/1129929838.db2.gz MTAYEWDGGUSZGP-NTEUORMPSA-N 1 2 296.370 3.569 20 30 CHEDLO CCc1cccc2c1OC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901507503 1129932445 /nfs/dbraw/zinc/93/24/45/1129932445.db2.gz WGIHNRFICJPYGZ-RIYZIHGNSA-N 1 2 296.370 3.685 20 30 CHEDLO Cc1cc2c(c(C)c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)C2 ZINC000901531772 1129933712 /nfs/dbraw/zinc/93/37/12/1129933712.db2.gz NAQRZXQZALPNHT-NVNXTCNLSA-N 1 2 280.371 3.903 20 30 CHEDLO C=CCC[N@@H+](C)Cn1c(=S)snc1-c1ccccc1 ZINC000786101759 1130078266 /nfs/dbraw/zinc/07/82/66/1130078266.db2.gz PZAWDFZKZACETC-UHFFFAOYSA-N 1 2 291.445 3.806 20 30 CHEDLO C=CCC[N@H+](C)Cn1c(=S)snc1-c1ccccc1 ZINC000786101759 1130078272 /nfs/dbraw/zinc/07/82/72/1130078272.db2.gz PZAWDFZKZACETC-UHFFFAOYSA-N 1 2 291.445 3.806 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2ccccc2)o1 ZINC000903106962 1130113056 /nfs/dbraw/zinc/11/30/56/1130113056.db2.gz ZIJZJJRABYXATR-CYBMUJFWSA-N 1 2 266.344 3.901 20 30 CHEDLO C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000903340515 1130162453 /nfs/dbraw/zinc/16/24/53/1130162453.db2.gz ITOKYCOBWOWZQS-NWDGAFQWSA-N 1 2 294.345 3.740 20 30 CHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)cc1 ZINC000748994756 1130257596 /nfs/dbraw/zinc/25/75/96/1130257596.db2.gz SNQUBQKMXRPNTC-FLIBITNWSA-N 1 2 292.338 3.547 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCc2cccc(C)c2)c(O)c1 ZINC000749103747 1130264622 /nfs/dbraw/zinc/26/46/22/1130264622.db2.gz ANQWTZJZXFAWGH-CPNJWEJPSA-N 1 2 283.371 3.761 20 30 CHEDLO C#CCCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000789667998 1130271398 /nfs/dbraw/zinc/27/13/98/1130271398.db2.gz KVXKSGJOLCQRPT-UHFFFAOYSA-N 1 2 280.371 3.679 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/C[C@H]1CCSC1 ZINC000790598244 1130321359 /nfs/dbraw/zinc/32/13/59/1130321359.db2.gz KPQOQTKGVHOGMF-YXHQGMJNSA-N 1 2 271.385 3.717 20 30 CHEDLO N#CCc1cc2ccccc2nc1-c1ccn2cc[nH+]c2c1 ZINC001240504367 1130333717 /nfs/dbraw/zinc/33/37/17/1130333717.db2.gz MZGJDSDZNMXXTO-UHFFFAOYSA-N 1 2 284.322 3.616 20 30 CHEDLO N#CC1(c2ccc(-c3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001240509387 1130334164 /nfs/dbraw/zinc/33/41/64/1130334164.db2.gz YFIXQBIAKARNGG-UHFFFAOYSA-N 1 2 259.312 3.556 20 30 CHEDLO C=CCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791400125 1130370069 /nfs/dbraw/zinc/37/00/69/1130370069.db2.gz SPBJBRYBCACXEB-UHFFFAOYSA-N 1 2 284.359 3.580 20 30 CHEDLO C=CCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000791562798 1130385883 /nfs/dbraw/zinc/38/58/83/1130385883.db2.gz OXZOCZRGDYFYQP-UHFFFAOYSA-N 1 2 296.370 3.662 20 30 CHEDLO CC(=NN[C@@H](C)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000793111297 1130519918 /nfs/dbraw/zinc/51/99/18/1130519918.db2.gz FRCGJIIWICFVSL-AWEZNQCLSA-N 1 2 284.407 3.621 20 30 CHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1ccc(N)cc1C ZINC000758117224 1130598940 /nfs/dbraw/zinc/59/89/40/1130598940.db2.gz PDOXPXFHWIRGHJ-UHFFFAOYSA-N 1 2 275.302 3.692 20 30 CHEDLO CC(C)CC[C@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001256365345 1130622089 /nfs/dbraw/zinc/62/20/89/1130622089.db2.gz JCUQATKGKJZABA-HNNXBMFYSA-N 1 2 259.397 3.622 20 30 CHEDLO CC(C)CC[C@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001256365345 1130622091 /nfs/dbraw/zinc/62/20/91/1130622091.db2.gz JCUQATKGKJZABA-HNNXBMFYSA-N 1 2 259.397 3.622 20 30 CHEDLO CCC(=[NH+]Nc1ccc(C)cn1)c1ccc(N(C)C)cc1 ZINC000759194921 1130643176 /nfs/dbraw/zinc/64/31/76/1130643176.db2.gz KBHWNRWAGIGBAL-UHFFFAOYSA-N 1 2 282.391 3.682 20 30 CHEDLO N#CCOc1ccc(Nc2cccc(C3CCC3)[nH+]2)cc1 ZINC001212607237 1130726183 /nfs/dbraw/zinc/72/61/83/1130726183.db2.gz SQCJMLBNIROULC-UHFFFAOYSA-N 1 2 279.343 3.995 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(OC(C)C)cc1C ZINC001235419944 1130741935 /nfs/dbraw/zinc/74/19/35/1130741935.db2.gz BGBNZYMHDYOGEW-UHFFFAOYSA-N 1 2 289.423 3.693 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(OC(C)C)cc1C ZINC001235419944 1130741937 /nfs/dbraw/zinc/74/19/37/1130741937.db2.gz BGBNZYMHDYOGEW-UHFFFAOYSA-N 1 2 289.423 3.693 20 30 CHEDLO N#CCc1ccccc1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001235525161 1130752633 /nfs/dbraw/zinc/75/26/33/1130752633.db2.gz KCSHRKMUYHGPEP-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO N#CCc1ccccc1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001235525161 1130752638 /nfs/dbraw/zinc/75/26/38/1130752638.db2.gz KCSHRKMUYHGPEP-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO CC1(C)CCC[C@@H]1N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000782287450 1130769169 /nfs/dbraw/zinc/76/91/69/1130769169.db2.gz LJMSLGQGRJEVCA-HNNXBMFYSA-N 1 2 289.423 3.772 20 30 CHEDLO CCCCCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783153672 1130799729 /nfs/dbraw/zinc/79/97/29/1130799729.db2.gz XIBITMVHXVUZTK-UHFFFAOYSA-N 1 2 266.360 3.837 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(O)cc1 ZINC000783696274 1130847724 /nfs/dbraw/zinc/84/77/24/1130847724.db2.gz GZBZVGDXFPBFQI-AATRIKPKSA-N 1 2 296.351 3.536 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccc(O)c1 ZINC000783699717 1130849537 /nfs/dbraw/zinc/84/95/37/1130849537.db2.gz GBICJQOWAWQCIT-SNAWJCMRSA-N 1 2 296.351 3.536 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccsc1 ZINC000783705975 1130850134 /nfs/dbraw/zinc/85/01/34/1130850134.db2.gz FHFVJPMSUJRHPM-OWOJBTEDSA-N 1 2 286.381 3.891 20 30 CHEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000783984946 1130868006 /nfs/dbraw/zinc/86/80/06/1130868006.db2.gz TZZNRLUAIXFISL-UHFFFAOYSA-N 1 2 299.761 3.567 20 30 CHEDLO CC(C)c1cnc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000814841289 1130921521 /nfs/dbraw/zinc/92/15/21/1130921521.db2.gz KFLZPZAEQNCGMD-UHFFFAOYSA-N 1 2 296.399 3.683 20 30 CHEDLO CCC(=[NH+]Nc1ccc(F)cc1OC)c1cccc(N)c1 ZINC000814916170 1130941431 /nfs/dbraw/zinc/94/14/31/1130941431.db2.gz RETTYXLDZMKIFX-UHFFFAOYSA-N 1 2 287.338 3.643 20 30 CHEDLO Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC(S)CC1 ZINC001236603774 1130982124 /nfs/dbraw/zinc/98/21/24/1130982124.db2.gz AUZKDOWJOMRUAK-UHFFFAOYSA-N 1 2 291.247 3.591 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc2ccccc2cc1OC ZINC001236676379 1130991519 /nfs/dbraw/zinc/99/15/19/1130991519.db2.gz YARZOMRPGJLMRC-UHFFFAOYSA-N 1 2 282.387 3.974 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc2ccccc2cc1OC ZINC001236676379 1130991521 /nfs/dbraw/zinc/99/15/21/1130991521.db2.gz YARZOMRPGJLMRC-UHFFFAOYSA-N 1 2 282.387 3.974 20 30 CHEDLO CCCCCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000815601334 1131007658 /nfs/dbraw/zinc/00/76/58/1131007658.db2.gz SUFRUMIAFHOVCC-CYBMUJFWSA-N 1 2 278.425 3.516 20 30 CHEDLO CCCCCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000798140968 1131026420 /nfs/dbraw/zinc/02/64/20/1131026420.db2.gz MTUDFNZREZBRMV-UHFFFAOYSA-N 1 2 259.353 3.633 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080345 1131046601 /nfs/dbraw/zinc/04/66/01/1131046601.db2.gz APBUVNFKFVCKBO-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080345 1131046606 /nfs/dbraw/zinc/04/66/06/1131046606.db2.gz APBUVNFKFVCKBO-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO C=CC[C@H](CC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816598502 1131114071 /nfs/dbraw/zinc/11/40/71/1131114071.db2.gz FTMPIOYQHJRLJO-JTQLQIEISA-N 1 2 257.736 3.629 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237991571 1131158228 /nfs/dbraw/zinc/15/82/28/1131158228.db2.gz DLIJZGCDEVANTB-UHFFFAOYSA-N 1 2 271.763 3.973 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237991571 1131158231 /nfs/dbraw/zinc/15/82/31/1131158231.db2.gz DLIJZGCDEVANTB-UHFFFAOYSA-N 1 2 271.763 3.973 20 30 CHEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(Cl)s1 ZINC001117350874 1131186817 /nfs/dbraw/zinc/18/68/17/1131186817.db2.gz NBFXSRASRHBNHG-WAYWQWQTSA-N 1 2 292.791 3.759 20 30 CHEDLO CCCCOc1ncc(C[N@H+](CCC)CCC#N)cc1C ZINC001238488270 1131209337 /nfs/dbraw/zinc/20/93/37/1131209337.db2.gz HZXVKZUBMAJTJK-UHFFFAOYSA-N 1 2 289.423 3.695 20 30 CHEDLO CCCCOc1ncc(C[N@@H+](CCC)CCC#N)cc1C ZINC001238488270 1131209340 /nfs/dbraw/zinc/20/93/40/1131209340.db2.gz HZXVKZUBMAJTJK-UHFFFAOYSA-N 1 2 289.423 3.695 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(C)cnc1-c1ccccc1 ZINC001238615532 1131223259 /nfs/dbraw/zinc/22/32/59/1131223259.db2.gz XBRWTQOUXHLETL-UHFFFAOYSA-N 1 2 279.387 3.793 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(C)cnc1-c1ccccc1 ZINC001238615532 1131223262 /nfs/dbraw/zinc/22/32/62/1131223262.db2.gz XBRWTQOUXHLETL-UHFFFAOYSA-N 1 2 279.387 3.793 20 30 CHEDLO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143897933 1131549298 /nfs/dbraw/zinc/54/92/98/1131549298.db2.gz JSFAEPSATXQBAG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143897933 1131549300 /nfs/dbraw/zinc/54/93/00/1131549300.db2.gz JSFAEPSATXQBAG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO C#CC[NH+](CC#C)Cc1ccccc1Oc1ccccc1 ZINC001139056394 1131576780 /nfs/dbraw/zinc/57/67/80/1131576780.db2.gz WBZFALFJMMWLLS-UHFFFAOYSA-N 1 2 275.351 3.547 20 30 CHEDLO CCCOC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691339 1131629167 /nfs/dbraw/zinc/62/91/67/1131629167.db2.gz VBFYOWBUVIAMHG-UHFFFAOYSA-N 1 2 292.810 3.603 20 30 CHEDLO N#Cc1cccc2c(C[N@H+]3Cc4ccc(F)cc4C3)c[nH]c21 ZINC001139703199 1131629653 /nfs/dbraw/zinc/62/96/53/1131629653.db2.gz LIANVZBVCPTSFI-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#Cc1cccc2c(C[N@@H+]3Cc4ccc(F)cc4C3)c[nH]c21 ZINC001139703199 1131629655 /nfs/dbraw/zinc/62/96/55/1131629655.db2.gz LIANVZBVCPTSFI-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(O)cc1Cl)C1CCCC1 ZINC001140086416 1131662844 /nfs/dbraw/zinc/66/28/44/1131662844.db2.gz UMTXOSLTFXAPLS-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(O)cc1Cl)C1CCCC1 ZINC001140086416 1131662848 /nfs/dbraw/zinc/66/28/48/1131662848.db2.gz UMTXOSLTFXAPLS-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)Cc2ccccc2)c(C)cc1O ZINC001140196655 1131675332 /nfs/dbraw/zinc/67/53/32/1131675332.db2.gz TXMDDSAFIFCHBO-UHFFFAOYSA-N 1 2 294.398 3.925 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)Cc2ccccc2)c(C)cc1O ZINC001140196655 1131675335 /nfs/dbraw/zinc/67/53/35/1131675335.db2.gz TXMDDSAFIFCHBO-UHFFFAOYSA-N 1 2 294.398 3.925 20 30 CHEDLO C=C[C@H](C#CC(C)(C)C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228092704 1131807910 /nfs/dbraw/zinc/80/79/10/1131807910.db2.gz SZGMRQIXIJUGCT-MRXNPFEDSA-N 1 2 297.398 3.653 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171411175 1131979352 /nfs/dbraw/zinc/97/93/52/1131979352.db2.gz FXOFIXKPKYJZMR-AWEZNQCLSA-N 1 2 273.326 3.970 20 30 CHEDLO CCCCc1[nH]c(CN(CCC#N)Cc2ccccc2)c[nH+]1 ZINC001141066394 1132001438 /nfs/dbraw/zinc/00/14/38/1132001438.db2.gz FHOCZYSFPHSTIO-UHFFFAOYSA-N 1 2 296.418 3.668 20 30 CHEDLO CCCCc1[nH]cc(CN(CCC#N)Cc2ccccc2)[nH+]1 ZINC001141066394 1132001442 /nfs/dbraw/zinc/00/14/42/1132001442.db2.gz FHOCZYSFPHSTIO-UHFFFAOYSA-N 1 2 296.418 3.668 20 30 CHEDLO N#CC[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001229953647 1132135585 /nfs/dbraw/zinc/13/55/85/1132135585.db2.gz CJMNKIYAHYUHCP-GOSISDBHSA-N 1 2 289.338 3.906 20 30 CHEDLO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172507982 1132253246 /nfs/dbraw/zinc/25/32/46/1132253246.db2.gz AKTWPMXBYZBEHL-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H](CCCC#N)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172507982 1132253250 /nfs/dbraw/zinc/25/32/50/1132253250.db2.gz AKTWPMXBYZBEHL-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550346 1132264217 /nfs/dbraw/zinc/26/42/17/1132264217.db2.gz FRZIPOPCHSROIW-BRWVUGGUSA-N 1 2 256.393 3.851 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCCc2ncccc2C)c(O)c1 ZINC000840707845 1132272774 /nfs/dbraw/zinc/27/27/74/1132272774.db2.gz ALWIEMURNRHJGW-CPNJWEJPSA-N 1 2 298.386 3.546 20 30 CHEDLO Cc1c(F)ccc(C[N@H+](CCC#N)C2CCCC2)c1F ZINC001231480227 1132297728 /nfs/dbraw/zinc/29/77/28/1132297728.db2.gz XBAZTYDVKIFJBK-UHFFFAOYSA-N 1 2 278.346 3.932 20 30 CHEDLO Cc1c(F)ccc(C[N@@H+](CCC#N)C2CCCC2)c1F ZINC001231480227 1132297733 /nfs/dbraw/zinc/29/77/33/1132297733.db2.gz XBAZTYDVKIFJBK-UHFFFAOYSA-N 1 2 278.346 3.932 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001231532812 1132314335 /nfs/dbraw/zinc/31/43/35/1132314335.db2.gz IXTDQMICIOPRKO-UHFFFAOYSA-N 1 2 287.407 3.527 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001231532812 1132314344 /nfs/dbraw/zinc/31/43/44/1132314344.db2.gz IXTDQMICIOPRKO-UHFFFAOYSA-N 1 2 287.407 3.527 20 30 CHEDLO CC[C@@H](C#N)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172820914 1132318036 /nfs/dbraw/zinc/31/80/36/1132318036.db2.gz NBORINDEBBARSE-CGZBRXJRSA-N 1 2 256.393 3.680 20 30 CHEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)c2ccccc2)c1 ZINC001231623925 1132328198 /nfs/dbraw/zinc/32/81/98/1132328198.db2.gz BMVKOYABGZYDRT-UHFFFAOYSA-N 1 2 295.382 3.566 20 30 CHEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)c2ccccc2)c1 ZINC001231623925 1132328202 /nfs/dbraw/zinc/32/82/02/1132328202.db2.gz BMVKOYABGZYDRT-UHFFFAOYSA-N 1 2 295.382 3.566 20 30 CHEDLO Cc1cccc2cc(C[NH+]3CCC(C#N)CC3)c(Cl)nc12 ZINC001231647841 1132333830 /nfs/dbraw/zinc/33/38/30/1132333830.db2.gz RSMVDEPMJYDDGT-UHFFFAOYSA-N 1 2 299.805 3.932 20 30 CHEDLO N#CCc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212695400 1132374564 /nfs/dbraw/zinc/37/45/64/1132374564.db2.gz FJHXLDOGYOQLRL-UHFFFAOYSA-N 1 2 288.354 3.741 20 30 CHEDLO N#CC1([NH2+]C2CCC3(CCOCC3)CC2)CCCCCC1 ZINC001173040690 1132379392 /nfs/dbraw/zinc/37/93/92/1132379392.db2.gz LEBMMNJGAIJAIN-UHFFFAOYSA-N 1 2 290.451 3.932 20 30 CHEDLO CC([NH2+]Nc1nnc(-c2ccccc2)s1)=C1CC1(F)F ZINC000841641683 1132381924 /nfs/dbraw/zinc/38/19/24/1132381924.db2.gz ZNUYYJUFZYYFSJ-SNVBAGLBSA-N 1 2 294.330 3.648 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccnc(C(C)(C)C)c1 ZINC001232216632 1132437455 /nfs/dbraw/zinc/43/74/55/1132437455.db2.gz USNSWELPBFLQPE-UHFFFAOYSA-N 1 2 259.397 3.505 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccnc(C(C)(C)C)c1 ZINC001232216632 1132437459 /nfs/dbraw/zinc/43/74/59/1132437459.db2.gz USNSWELPBFLQPE-UHFFFAOYSA-N 1 2 259.397 3.505 20 30 CHEDLO N#CC1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CCOCC1 ZINC001173346029 1132471319 /nfs/dbraw/zinc/47/13/19/1132471319.db2.gz YISFXXJYDSGNAC-OAHLLOKOSA-N 1 2 276.424 3.542 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(F)cc1F ZINC001232784258 1132520964 /nfs/dbraw/zinc/52/09/64/1132520964.db2.gz JOKQWPPYMHQRDD-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(F)cc1F ZINC001232784258 1132520971 /nfs/dbraw/zinc/52/09/71/1132520971.db2.gz JOKQWPPYMHQRDD-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1ccccc1-n1cc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000843390702 1132525706 /nfs/dbraw/zinc/52/57/06/1132525706.db2.gz CYJYVZYNMOEXDA-UHFFFAOYSA-N 1 2 296.418 3.552 20 30 CHEDLO Cc1ccccc1-n1cc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000843390702 1132525708 /nfs/dbraw/zinc/52/57/08/1132525708.db2.gz CYJYVZYNMOEXDA-UHFFFAOYSA-N 1 2 296.418 3.552 20 30 CHEDLO N#Cc1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)ccn1 ZINC001206633726 1132552727 /nfs/dbraw/zinc/55/27/27/1132552727.db2.gz SVGKWUJEDNNRHB-UHFFFAOYSA-N 1 2 296.333 3.820 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(C#N)c1 ZINC001232968883 1132553785 /nfs/dbraw/zinc/55/37/85/1132553785.db2.gz PWQQQVPIJNPDCZ-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(C#N)c1 ZINC001232968883 1132553787 /nfs/dbraw/zinc/55/37/87/1132553787.db2.gz PWQQQVPIJNPDCZ-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233046671 1132565127 /nfs/dbraw/zinc/56/51/27/1132565127.db2.gz FRVWYRIRNJATLO-GOSISDBHSA-N 1 2 295.386 3.622 20 30 CHEDLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233046671 1132565134 /nfs/dbraw/zinc/56/51/34/1132565134.db2.gz FRVWYRIRNJATLO-GOSISDBHSA-N 1 2 295.386 3.622 20 30 CHEDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1[nH]ccc1C#N ZINC001233048157 1132566509 /nfs/dbraw/zinc/56/65/09/1132566509.db2.gz XTAJUPAUUQZKPE-LLVKDONJSA-N 1 2 273.767 3.733 20 30 CHEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233048157 1132566511 /nfs/dbraw/zinc/56/65/11/1132566511.db2.gz XTAJUPAUUQZKPE-LLVKDONJSA-N 1 2 273.767 3.733 20 30 CHEDLO Cc1nsc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1C#N ZINC001174380398 1132829639 /nfs/dbraw/zinc/82/96/39/1132829639.db2.gz FIXWBBCWNGFVCH-UHFFFAOYSA-N 1 2 297.387 3.997 20 30 CHEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC001174522155 1132912399 /nfs/dbraw/zinc/91/23/99/1132912399.db2.gz JVUGDZVSNUOUJQ-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC001174524609 1132912615 /nfs/dbraw/zinc/91/26/15/1132912615.db2.gz PJXYYNXHGJNVMA-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1F ZINC001174525071 1132914580 /nfs/dbraw/zinc/91/45/80/1132914580.db2.gz XMFXLOCXWAKAQO-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO SCCCNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001159870242 1132917417 /nfs/dbraw/zinc/91/74/17/1132917417.db2.gz OYEQXXBZKJBVDA-UHFFFAOYSA-N 1 2 279.796 3.529 20 30 CHEDLO N#CCc1cc2ccccc2c(NCCCn2cc[nH+]c2)c1 ZINC001161689402 1133016372 /nfs/dbraw/zinc/01/63/72/1133016372.db2.gz RSFOBAHINCCVTM-UHFFFAOYSA-N 1 2 290.370 3.605 20 30 CHEDLO Cc1cc(N[C@H](C#N)c2ccccc2)ccc1[NH+](C)C ZINC001161721445 1133020638 /nfs/dbraw/zinc/02/06/38/1133020638.db2.gz NCTPKWLAEYBAFN-MRXNPFEDSA-N 1 2 265.360 3.738 20 30 CHEDLO C=CCCCN(CC)c1nc2ccccc2n2c[nH+]cc12 ZINC001164303812 1133213185 /nfs/dbraw/zinc/21/31/85/1133213185.db2.gz XEBSESGTSNJKAC-UHFFFAOYSA-N 1 2 280.375 3.675 20 30 CHEDLO N#CC1(c2cc[nH+]c(NC/C=C/c3ccccc3)c2)CC1 ZINC001166097263 1133259096 /nfs/dbraw/zinc/25/90/96/1133259096.db2.gz RPYXPCLWKJTDIJ-QPJJXVBHSA-N 1 2 275.355 3.762 20 30 CHEDLO Cc1ccc(Nc2cc(C#N)ccc2Cl)c(C)[nH+]1 ZINC001203374132 1133319705 /nfs/dbraw/zinc/31/97/05/1133319705.db2.gz FUFUKHIZBGEHKJ-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO C#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cn1 ZINC001203719361 1133358464 /nfs/dbraw/zinc/35/84/64/1133358464.db2.gz TVKAWNNHPCTKQH-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001203970509 1133391178 /nfs/dbraw/zinc/39/11/78/1133391178.db2.gz QDJMAOBQDCFZDE-INIZCTEOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001203970509 1133391183 /nfs/dbraw/zinc/39/11/83/1133391183.db2.gz QDJMAOBQDCFZDE-INIZCTEOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC001204026835 1133400582 /nfs/dbraw/zinc/40/05/82/1133400582.db2.gz HLQGAJFRKWIZCS-UHFFFAOYSA-N 1 2 287.226 3.636 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC001204026835 1133400583 /nfs/dbraw/zinc/40/05/83/1133400583.db2.gz HLQGAJFRKWIZCS-UHFFFAOYSA-N 1 2 287.226 3.636 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001204442495 1133448592 /nfs/dbraw/zinc/44/85/92/1133448592.db2.gz ZFMVQUHNDRDEKQ-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001204442495 1133448594 /nfs/dbraw/zinc/44/85/94/1133448594.db2.gz ZFMVQUHNDRDEKQ-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(OC)c(OC)cc1Cl ZINC001205053129 1133521939 /nfs/dbraw/zinc/52/19/39/1133521939.db2.gz QFPOEKKTFYHQGO-UHFFFAOYSA-N 1 2 281.783 3.531 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1Cl ZINC000163558385 1133610350 /nfs/dbraw/zinc/61/03/50/1133610350.db2.gz IIDKYHGXQZEHCB-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1Cl ZINC000163558385 1133610352 /nfs/dbraw/zinc/61/03/52/1133610352.db2.gz IIDKYHGXQZEHCB-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO O=C1C=C2C[N@@H+](CCCC3CCCCC3)CC[C@@H]2S1 ZINC001207607256 1133827621 /nfs/dbraw/zinc/82/76/21/1133827621.db2.gz MRXSPLYGORTBHG-HNNXBMFYSA-N 1 2 279.449 3.621 20 30 CHEDLO O=C1C=C2C[N@H+](CCCC3CCCCC3)CC[C@@H]2S1 ZINC001207607256 1133827630 /nfs/dbraw/zinc/82/76/30/1133827630.db2.gz MRXSPLYGORTBHG-HNNXBMFYSA-N 1 2 279.449 3.621 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)C#N)cc1 ZINC001207936212 1133866249 /nfs/dbraw/zinc/86/62/49/1133866249.db2.gz CWVIUIKLSTXXNR-CABCVRRESA-N 1 2 258.409 3.832 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)[C@@H](C)C#N)cc1 ZINC001207936212 1133866266 /nfs/dbraw/zinc/86/62/66/1133866266.db2.gz CWVIUIKLSTXXNR-CABCVRRESA-N 1 2 258.409 3.832 20 30 CHEDLO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@H]1C#N ZINC001208201296 1133906232 /nfs/dbraw/zinc/90/62/32/1133906232.db2.gz CCBHVVVMZLIPNE-GJZGRUSLSA-N 1 2 266.429 3.596 20 30 CHEDLO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]1C#N ZINC001208201296 1133906234 /nfs/dbraw/zinc/90/62/34/1133906234.db2.gz CCBHVVVMZLIPNE-GJZGRUSLSA-N 1 2 266.429 3.596 20 30 CHEDLO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCCC[C@H]1C#N ZINC001208217782 1133909203 /nfs/dbraw/zinc/90/92/03/1133909203.db2.gz LBXCUOQDCRXWSJ-CVEARBPZSA-N 1 2 280.456 3.986 20 30 CHEDLO Cc1cnc(Nc2ccc3c[nH+]ccc3c2)c(C#N)c1 ZINC001210046680 1134134706 /nfs/dbraw/zinc/13/47/06/1134134706.db2.gz MHPQUMVHYAWBRW-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1cnc(Nc2cccc3cc[nH+]cc32)c(C#N)c1 ZINC001210224357 1134171151 /nfs/dbraw/zinc/17/11/51/1134171151.db2.gz KXOLTESXOLPKOP-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001210376261 1134203033 /nfs/dbraw/zinc/20/30/33/1134203033.db2.gz RBRHHBBQYYJKCM-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CSc1cc(Nc2cc(C)cc(C#N)c2)cc[nH+]1 ZINC001210388236 1134205233 /nfs/dbraw/zinc/20/52/33/1134205233.db2.gz DXNVAHOHUIFSTA-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO CCCc1cc[nH+]c(Nc2cc(C)cc(C#N)c2)c1 ZINC001210388932 1134206311 /nfs/dbraw/zinc/20/63/11/1134206311.db2.gz QHDWPFUHXLMONH-UHFFFAOYSA-N 1 2 251.333 3.958 20 30 CHEDLO C[C@H]1CC(=O)C=C(Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC001210770375 1134292559 /nfs/dbraw/zinc/29/25/59/1134292559.db2.gz LSZFOXYWOHWLAT-CYBMUJFWSA-N 1 2 270.376 3.582 20 30 CHEDLO COc1cc(Nc2ccc(C(C)(C)C#N)cc2)cc(C)[nH+]1 ZINC001210780811 1134294987 /nfs/dbraw/zinc/29/49/87/1134294987.db2.gz HSXNZEGVUIBLHI-UHFFFAOYSA-N 1 2 281.359 3.943 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089979 1134426188 /nfs/dbraw/zinc/42/61/88/1134426188.db2.gz ODXDOCLPSCPJGN-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cnc(C#N)c(Cl)c1 ZINC001213494680 1134454193 /nfs/dbraw/zinc/45/41/93/1134454193.db2.gz FYEMNIAJMUCKFT-UHFFFAOYSA-N 1 2 284.750 3.931 20 30 CHEDLO N#Cc1ccc(F)c(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001214598561 1134555720 /nfs/dbraw/zinc/55/57/20/1134555720.db2.gz SGCUDDNGNAOOQC-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO C=C[C@@H](C#CC(C)(C)C)OCc1cc(C)[nH+]c(C)c1 ZINC001223423288 1135343233 /nfs/dbraw/zinc/34/32/33/1135343233.db2.gz AJJQTJJNXNBXOR-INIZCTEOSA-N 1 2 257.377 3.819 20 30 CHEDLO Cc1cc(CO[C@H](C)CC(C)(C)S)cc(C)[nH+]1 ZINC001223424291 1135343927 /nfs/dbraw/zinc/34/39/27/1135343927.db2.gz IZIOWNANBNKPLV-GFCCVEGCSA-N 1 2 253.411 3.702 20 30 CHEDLO CCc1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000344313297 529653768 /nfs/dbraw/zinc/65/37/68/529653768.db2.gz YLJCMLOPNHCTQB-OAHLLOKOSA-N 1 2 285.416 3.840 20 30 CHEDLO N#Cc1cc(C[N@H+](CC(F)F)CC2CCC2)ccc1F ZINC000341749168 130019287 /nfs/dbraw/zinc/01/92/87/130019287.db2.gz DRJFSYWKCZXPFM-UHFFFAOYSA-N 1 2 282.309 3.565 20 30 CHEDLO N#Cc1cc(C[N@@H+](CC(F)F)CC2CCC2)ccc1F ZINC000341749168 130019289 /nfs/dbraw/zinc/01/92/89/130019289.db2.gz DRJFSYWKCZXPFM-UHFFFAOYSA-N 1 2 282.309 3.565 20 30 CHEDLO Cc1cccc(C[N@H+](Cc2ccco2)CC2(C#N)CC2)c1 ZINC000347448852 226159693 /nfs/dbraw/zinc/15/96/93/226159693.db2.gz AMPFNXVIISKRQX-UHFFFAOYSA-N 1 2 280.371 3.894 20 30 CHEDLO Cc1cccc(C[N@@H+](Cc2ccco2)CC2(C#N)CC2)c1 ZINC000347448852 226159697 /nfs/dbraw/zinc/15/96/97/226159697.db2.gz AMPFNXVIISKRQX-UHFFFAOYSA-N 1 2 280.371 3.894 20 30 CHEDLO N#CCC[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000349647902 226794834 /nfs/dbraw/zinc/79/48/34/226794834.db2.gz WQIYPOSSICWCED-LBPRGKRZSA-N 1 2 291.807 3.931 20 30 CHEDLO N#Cc1ccc(Nc2ccc(Nc3ccccc3)[nH+]c2)nc1 ZINC000301195742 227471340 /nfs/dbraw/zinc/47/13/40/227471340.db2.gz UEMKJCZIWJLGRQ-UHFFFAOYSA-N 1 2 287.326 3.835 20 30 CHEDLO C=C(C)C[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698617 261106849 /nfs/dbraw/zinc/10/68/49/261106849.db2.gz CRJUQAHLSHIAJA-IUODEOHRSA-N 1 2 265.784 3.678 20 30 CHEDLO C=C(C)C[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698617 261106851 /nfs/dbraw/zinc/10/68/51/261106851.db2.gz CRJUQAHLSHIAJA-IUODEOHRSA-N 1 2 265.784 3.678 20 30 CHEDLO Cc1c[nH+]ccc1CCNc1ccc(C#N)c(Cl)c1 ZINC000301844402 261343518 /nfs/dbraw/zinc/34/35/18/261343518.db2.gz LPCLNKIFIQGWGJ-UHFFFAOYSA-N 1 2 271.751 3.570 20 30 CHEDLO CC(C)N(C)c1ccc(CNc2ccc(CC#N)cc2)c[nH+]1 ZINC000190815314 262185986 /nfs/dbraw/zinc/18/59/86/262185986.db2.gz UGAXPTHUWXZFAN-UHFFFAOYSA-N 1 2 294.402 3.604 20 30 CHEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000191065543 262188885 /nfs/dbraw/zinc/18/88/85/262188885.db2.gz IZCNJOMGAMRMRI-WMZOPIPTSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=CCC[C@H](C)[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000191065543 262188887 /nfs/dbraw/zinc/18/88/87/262188887.db2.gz IZCNJOMGAMRMRI-WMZOPIPTSA-N 1 2 283.419 3.790 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccco1 ZINC000414329572 262844918 /nfs/dbraw/zinc/84/49/18/262844918.db2.gz QXDYGQULXIRSBW-GFCCVEGCSA-N 1 2 289.404 3.806 20 30 CHEDLO N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000278875478 263051529 /nfs/dbraw/zinc/05/15/29/263051529.db2.gz XISGQNAFCPRBCC-GJZGRUSLSA-N 1 2 284.407 3.566 20 30 CHEDLO CC(C)(C#N)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000278918880 263051709 /nfs/dbraw/zinc/05/17/09/263051709.db2.gz RRUMPLZFQQYQGO-UHFFFAOYSA-N 1 2 296.374 3.709 20 30 CHEDLO CCSCCC[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000283772980 263084003 /nfs/dbraw/zinc/08/40/03/263084003.db2.gz JQBXJWDMVKSFLI-LFIBNONCSA-N 1 2 274.389 3.503 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cscc2Br)CC1 ZINC000290411816 263116490 /nfs/dbraw/zinc/11/64/90/263116490.db2.gz QFXDWHFYYXUHLI-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000292823702 263135317 /nfs/dbraw/zinc/13/53/17/263135317.db2.gz OCZXFVCUVJCEQT-ZDUSSCGKSA-N 1 2 259.397 3.501 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000292823702 263135318 /nfs/dbraw/zinc/13/53/18/263135318.db2.gz OCZXFVCUVJCEQT-ZDUSSCGKSA-N 1 2 259.397 3.501 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000293615047 263145102 /nfs/dbraw/zinc/14/51/02/263145102.db2.gz MCTVSYSRALGYRX-GFCCVEGCSA-N 1 2 287.388 3.608 20 30 CHEDLO Cc1sccc1CNc1[nH+]cccc1OCCCC#N ZINC000296012549 263184756 /nfs/dbraw/zinc/18/47/56/263184756.db2.gz OZVMHLLSQHAMDH-UHFFFAOYSA-N 1 2 287.388 3.746 20 30 CHEDLO C=CC[N@@H+](CCC#N)C/C(C)=C\c1ccccc1COC ZINC000353584475 263198121 /nfs/dbraw/zinc/19/81/21/263198121.db2.gz HBXRTWZQMFSPCC-SSZFMOIBSA-N 1 2 284.403 3.638 20 30 CHEDLO C=CC[N@H+](CCC#N)C/C(C)=C\c1ccccc1COC ZINC000353584475 263198123 /nfs/dbraw/zinc/19/81/23/263198123.db2.gz HBXRTWZQMFSPCC-SSZFMOIBSA-N 1 2 284.403 3.638 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(C)s1 ZINC000297785795 263209901 /nfs/dbraw/zinc/20/99/01/263209901.db2.gz GZCLXQIHBMGQGX-GFCCVEGCSA-N 1 2 273.405 3.596 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(C)s1 ZINC000297785795 263209902 /nfs/dbraw/zinc/20/99/02/263209902.db2.gz GZCLXQIHBMGQGX-GFCCVEGCSA-N 1 2 273.405 3.596 20 30 CHEDLO N#CCC[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000297943525 263212587 /nfs/dbraw/zinc/21/25/87/263212587.db2.gz AMOALWAKSUMLEP-CYBMUJFWSA-N 1 2 269.175 3.948 20 30 CHEDLO CC(C)[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1F ZINC000298887906 263227458 /nfs/dbraw/zinc/22/74/58/263227458.db2.gz KVWXDVSANRMDJO-CYBMUJFWSA-N 1 2 254.736 3.679 20 30 CHEDLO CCCc1cc(NC[C@H](C)C#N)c2ccccc2[nH+]1 ZINC000302030026 263293109 /nfs/dbraw/zinc/29/31/09/263293109.db2.gz BMGWDZSNOFRZDQ-GFCCVEGCSA-N 1 2 253.349 3.759 20 30 CHEDLO C=C(C)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000044172494 263298589 /nfs/dbraw/zinc/29/85/89/263298589.db2.gz NIBOFIYNHMXWDO-CYBMUJFWSA-N 1 2 296.484 3.759 20 30 CHEDLO Cc1ccc([C@H]([NH2+]CCC#N)c2ccccc2)cc1 ZINC000341797649 263349749 /nfs/dbraw/zinc/34/97/49/263349749.db2.gz FWMMDILUZZYFAE-QGZVFWFLSA-N 1 2 250.345 3.588 20 30 CHEDLO C=C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000342202821 263406604 /nfs/dbraw/zinc/40/66/04/263406604.db2.gz KWIMAXAFSRNQGD-UHFFFAOYSA-N 1 2 287.794 3.678 20 30 CHEDLO C=C(C)CCSCCc1[nH+]c2ccccc2n1C ZINC000519025031 265298423 /nfs/dbraw/zinc/29/84/23/265298423.db2.gz CCBSTYLGBASHNL-UHFFFAOYSA-N 1 2 260.406 3.815 20 30 CHEDLO C=C(C)COc1cc(CNc2c[nH+]cc(C)c2)ccc1OC ZINC000119570541 267346271 /nfs/dbraw/zinc/34/62/71/267346271.db2.gz HVDUDMKXNKXHHT-UHFFFAOYSA-N 1 2 298.386 3.966 20 30 CHEDLO Cc1ccc(-c2nc(C[NH2+]CC3(C#N)CCC3)cs2)cc1 ZINC000418136094 267368169 /nfs/dbraw/zinc/36/81/69/267368169.db2.gz BZLGXYXRDIFLOU-UHFFFAOYSA-N 1 2 297.427 3.902 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000054183581 327887872 /nfs/dbraw/zinc/88/78/72/327887872.db2.gz MYKIZTQCKNVVOR-NSHDSACASA-N 1 2 288.725 3.723 20 30 CHEDLO CCOC(=O)C(CC)(CC)[NH2+]CCC1(C#N)CCCCC1 ZINC000411760103 328099087 /nfs/dbraw/zinc/09/90/87/328099087.db2.gz RJWXSFWBJSLPAQ-UHFFFAOYSA-N 1 2 294.439 3.562 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000571475008 328124094 /nfs/dbraw/zinc/12/40/94/328124094.db2.gz MEOFIGIONMJZBA-UHFFFAOYSA-N 1 2 288.700 3.752 20 30 CHEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C)(C#N)CC1 ZINC000272650291 328200241 /nfs/dbraw/zinc/20/02/41/328200241.db2.gz ZFRAVANQXWPXLF-NSHDSACASA-N 1 2 264.319 3.651 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2cccs2)cc1 ZINC000277739766 328222282 /nfs/dbraw/zinc/22/22/82/328222282.db2.gz OTYWWBTZTYFJHT-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2cccs2)cc1 ZINC000277739766 328222283 /nfs/dbraw/zinc/22/22/83/328222283.db2.gz OTYWWBTZTYFJHT-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO N#C[C@@H]1CCC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000278613420 328228366 /nfs/dbraw/zinc/22/83/66/328228366.db2.gz FTLSWVMYBWTMFA-ZBFHGGJFSA-N 1 2 269.392 3.781 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000278613420 328228367 /nfs/dbraw/zinc/22/83/67/328228367.db2.gz FTLSWVMYBWTMFA-ZBFHGGJFSA-N 1 2 269.392 3.781 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000121411150 328375215 /nfs/dbraw/zinc/37/52/15/328375215.db2.gz ZBFUDOIQLYEGBV-NSHDSACASA-N 1 2 256.802 3.513 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000121411150 328375217 /nfs/dbraw/zinc/37/52/17/328375217.db2.gz ZBFUDOIQLYEGBV-NSHDSACASA-N 1 2 256.802 3.513 20 30 CHEDLO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000281654224 328500635 /nfs/dbraw/zinc/50/06/35/328500635.db2.gz PXBGZEZXXSOTLX-ZJUUUORDSA-N 1 2 255.308 3.676 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1Cl ZINC000339555711 327013827 /nfs/dbraw/zinc/01/38/27/327013827.db2.gz NBBDDFVXRLWOBC-VIFPVBQESA-N 1 2 277.780 3.519 20 30 CHEDLO CCC[N@H+](CC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000092398466 327194072 /nfs/dbraw/zinc/19/40/72/327194072.db2.gz QUDZIIZNZBHGNP-GFCCVEGCSA-N 1 2 295.224 3.788 20 30 CHEDLO CCC[N@@H+](CC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000092398466 327194073 /nfs/dbraw/zinc/19/40/73/327194073.db2.gz QUDZIIZNZBHGNP-GFCCVEGCSA-N 1 2 295.224 3.788 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)c1C ZINC000564661999 327248544 /nfs/dbraw/zinc/24/85/44/327248544.db2.gz UYAVNZLNGDNLJD-GDBMZVCRSA-N 1 2 280.375 3.593 20 30 CHEDLO CC(F)(F)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000559886170 327267937 /nfs/dbraw/zinc/26/79/37/327267937.db2.gz MGNGAHQGEBZICN-AWEZNQCLSA-N 1 2 264.319 3.571 20 30 CHEDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCC#N ZINC000123236076 329008213 /nfs/dbraw/zinc/00/82/13/329008213.db2.gz QXVMCSZJPQTKBN-SNVBAGLBSA-N 1 2 256.271 3.612 20 30 CHEDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC000123236076 329008214 /nfs/dbraw/zinc/00/82/14/329008214.db2.gz QXVMCSZJPQTKBN-SNVBAGLBSA-N 1 2 256.271 3.612 20 30 CHEDLO C[C@H](c1cccc2ccccc21)[NH+]1CC(C)(C#N)C1 ZINC000582673892 329123188 /nfs/dbraw/zinc/12/31/88/329123188.db2.gz HEAOHOXJGSVGNC-CYBMUJFWSA-N 1 2 250.345 3.746 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000184082565 329255929 /nfs/dbraw/zinc/25/59/29/329255929.db2.gz GZQGJKSSNCENFN-ZDUSSCGKSA-N 1 2 291.826 3.722 20 30 CHEDLO CC(C)n1c2ccccc2[nH+]c1NCc1ccc(C#N)s1 ZINC000582975879 329297986 /nfs/dbraw/zinc/29/79/86/329297986.db2.gz QZJSKKRUOCGBAZ-UHFFFAOYSA-N 1 2 296.399 3.584 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)c(F)c1 ZINC000186447132 329342749 /nfs/dbraw/zinc/34/27/49/329342749.db2.gz NIAPRRZRWCPSLZ-NHYWBVRUSA-N 1 2 291.345 3.666 20 30 CHEDLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000187099962 329353883 /nfs/dbraw/zinc/35/38/83/329353883.db2.gz KFSKUQATCQUTGN-AWEZNQCLSA-N 1 2 280.824 3.539 20 30 CHEDLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000187099962 329353884 /nfs/dbraw/zinc/35/38/84/329353884.db2.gz KFSKUQATCQUTGN-AWEZNQCLSA-N 1 2 280.824 3.539 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000187360156 329355560 /nfs/dbraw/zinc/35/55/60/329355560.db2.gz MMWVYAHXULCILT-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000187360156 329355561 /nfs/dbraw/zinc/35/55/61/329355561.db2.gz MMWVYAHXULCILT-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO Cc1ccc(CNc2cccc(OCCCC#N)c2)c(C)[nH+]1 ZINC000187721759 329362508 /nfs/dbraw/zinc/36/25/08/329362508.db2.gz CQFITKVDNKBCPH-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459710538 329366149 /nfs/dbraw/zinc/36/61/49/329366149.db2.gz QFQLSRSIYJOVMT-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459710538 329366150 /nfs/dbraw/zinc/36/61/50/329366150.db2.gz QFQLSRSIYJOVMT-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2c(Cl)cccc12 ZINC000425264862 329650895 /nfs/dbraw/zinc/65/08/95/329650895.db2.gz RJXROTXMGZZZAU-NHYWBVRUSA-N 1 2 288.778 3.891 20 30 CHEDLO C=CCOCCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000419458169 329731446 /nfs/dbraw/zinc/73/14/46/329731446.db2.gz BGSWKKABBMYQAD-UHFFFAOYSA-N 1 2 288.416 3.617 20 30 CHEDLO C=CC[C@@H]1N(C(=O)Nc2cc[nH+]cc2C)CCCC1(C)C ZINC000278027262 330118622 /nfs/dbraw/zinc/11/86/22/330118622.db2.gz BANRJZJHFVPQAR-HNNXBMFYSA-N 1 2 287.407 3.989 20 30 CHEDLO C=CC[C@H]1N(C(=O)c2ccc3[nH+]ccn3c2)CCCC1(C)C ZINC000278360124 330119367 /nfs/dbraw/zinc/11/93/67/330119367.db2.gz KDENJXZCFZAXQO-OAHLLOKOSA-N 1 2 297.402 3.541 20 30 CHEDLO N#C[C@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000424316657 330339544 /nfs/dbraw/zinc/33/95/44/330339544.db2.gz BAIASMWWXSFIOC-RRFJBIMHSA-N 1 2 278.346 3.535 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000533137068 330350238 /nfs/dbraw/zinc/35/02/38/330350238.db2.gz UPRCEFVPZHVDSF-LBPRGKRZSA-N 1 2 298.430 3.939 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000533137068 330350239 /nfs/dbraw/zinc/35/02/39/330350239.db2.gz UPRCEFVPZHVDSF-LBPRGKRZSA-N 1 2 298.430 3.939 20 30 CHEDLO C=CCCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000447979275 330882062 /nfs/dbraw/zinc/88/20/62/330882062.db2.gz SXIXMWDFWMRZLX-UHFFFAOYSA-N 1 2 297.358 3.962 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453030665 331084218 /nfs/dbraw/zinc/08/42/18/331084218.db2.gz YKEMUEINTTVDAS-WBVHZDCISA-N 1 2 279.387 3.657 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453030665 331084219 /nfs/dbraw/zinc/08/42/19/331084219.db2.gz YKEMUEINTTVDAS-WBVHZDCISA-N 1 2 279.387 3.657 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453030663 331084235 /nfs/dbraw/zinc/08/42/35/331084235.db2.gz YKEMUEINTTVDAS-NVXWUHKLSA-N 1 2 279.387 3.657 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000453030663 331084236 /nfs/dbraw/zinc/08/42/36/331084236.db2.gz YKEMUEINTTVDAS-NVXWUHKLSA-N 1 2 279.387 3.657 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccncn1)c1ccc(F)c(F)c1 ZINC000453199464 331100613 /nfs/dbraw/zinc/10/06/13/331100613.db2.gz QFGMVRSNMHZWPN-MEDUHNTESA-N 1 2 289.329 3.723 20 30 CHEDLO C=C[C@@H](CC(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456826017 331206091 /nfs/dbraw/zinc/20/60/91/331206091.db2.gz ACXASGDZCCYXON-INIZCTEOSA-N 1 2 294.398 3.675 20 30 CHEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cs1 ZINC000489104622 332041508 /nfs/dbraw/zinc/04/15/08/332041508.db2.gz ROLYBTWUSSBNTA-LLVKDONJSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cs1 ZINC000489104622 332041510 /nfs/dbraw/zinc/04/15/10/332041510.db2.gz ROLYBTWUSSBNTA-LLVKDONJSA-N 1 2 271.389 3.516 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC000489425498 332051478 /nfs/dbraw/zinc/05/14/78/332051478.db2.gz LUFZKPGWLQWBDI-CYBMUJFWSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000489425498 332051480 /nfs/dbraw/zinc/05/14/80/332051480.db2.gz LUFZKPGWLQWBDI-CYBMUJFWSA-N 1 2 274.389 3.944 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnc(CC)s1)c1ccc(Cl)cc1 ZINC000491264681 332176818 /nfs/dbraw/zinc/17/68/18/332176818.db2.gz HWPDFGYQLKUHLA-AWEZNQCLSA-N 1 2 290.819 3.823 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000491484614 332219633 /nfs/dbraw/zinc/21/96/33/332219633.db2.gz JVAZPJQCJWICST-AWEZNQCLSA-N 1 2 291.181 3.853 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(F)cc1 ZINC000491496825 332223375 /nfs/dbraw/zinc/22/33/75/332223375.db2.gz TZJSUJQOJPAHJV-HNNXBMFYSA-N 1 2 286.375 3.624 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000491678449 332282931 /nfs/dbraw/zinc/28/29/31/332282931.db2.gz BLTWZXGVKQNEGX-OAHLLOKOSA-N 1 2 286.787 3.737 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000491682138 332284828 /nfs/dbraw/zinc/28/48/28/332284828.db2.gz PVNGSOQLFYJYLQ-INIZCTEOSA-N 1 2 298.317 3.506 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000491773277 332339655 /nfs/dbraw/zinc/33/96/55/332339655.db2.gz VKRZNJRHKBYGHJ-MRXNPFEDSA-N 1 2 275.273 3.568 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000190832777 333211465 /nfs/dbraw/zinc/21/14/65/333211465.db2.gz YNEDMPZZBRGDCQ-INIZCTEOSA-N 1 2 287.338 3.552 20 30 CHEDLO C=CCCCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000523533359 333332367 /nfs/dbraw/zinc/33/23/67/333332367.db2.gz CKBONKHJTAKWDP-UHFFFAOYSA-N 1 2 259.397 3.845 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccccc2OCC2CC2)c1 ZINC000546634080 334042268 /nfs/dbraw/zinc/04/22/68/334042268.db2.gz XZEPIFSURMGONZ-UHFFFAOYSA-N 1 2 293.370 3.549 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cccc(C(F)(F)F)c2)c1 ZINC000547340199 334081347 /nfs/dbraw/zinc/08/13/47/334081347.db2.gz MQHPBSFDJZITQN-UHFFFAOYSA-N 1 2 291.276 3.779 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(Br)cc1)C1CCCC1 ZINC000078003556 334120292 /nfs/dbraw/zinc/12/02/92/334120292.db2.gz DVZHDSSRRKBJGT-UHFFFAOYSA-N 1 2 293.208 3.717 20 30 CHEDLO N#CC[N@H+](Cc1ccc(Br)cc1)C1CCCC1 ZINC000078003556 334120293 /nfs/dbraw/zinc/12/02/93/334120293.db2.gz DVZHDSSRRKBJGT-UHFFFAOYSA-N 1 2 293.208 3.717 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cc(F)cc(Cl)c1 ZINC000548587378 334163043 /nfs/dbraw/zinc/16/30/43/334163043.db2.gz ITEWQLMPBCFAQX-UHFFFAOYSA-N 1 2 254.736 3.603 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(F)cc(Cl)c1 ZINC000548587378 334163044 /nfs/dbraw/zinc/16/30/44/334163044.db2.gz ITEWQLMPBCFAQX-UHFFFAOYSA-N 1 2 254.736 3.603 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695074 334201800 /nfs/dbraw/zinc/20/18/00/334201800.db2.gz XKMLQKVSJWYZIO-WQVCFCJDSA-N 1 2 292.785 3.903 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)C1 ZINC000549695074 334201802 /nfs/dbraw/zinc/20/18/02/334201802.db2.gz XKMLQKVSJWYZIO-WQVCFCJDSA-N 1 2 292.785 3.903 20 30 CHEDLO C=CCOCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000549866480 334207519 /nfs/dbraw/zinc/20/75/19/334207519.db2.gz ZCUGSBIARMWHIA-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO C=CCOCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000549866480 334207520 /nfs/dbraw/zinc/20/75/20/334207520.db2.gz ZCUGSBIARMWHIA-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO CC(C)COc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000552076515 334286599 /nfs/dbraw/zinc/28/65/99/334286599.db2.gz SILGOFXFKADMJA-UHFFFAOYSA-N 1 2 286.419 3.990 20 30 CHEDLO CC(C)COc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000552076515 334286600 /nfs/dbraw/zinc/28/66/00/334286600.db2.gz SILGOFXFKADMJA-UHFFFAOYSA-N 1 2 286.419 3.990 20 30 CHEDLO CCc1[nH+]c(C)ccc1OCc1ccc(C#N)c(C)c1 ZINC000566894548 334668479 /nfs/dbraw/zinc/66/84/79/334668479.db2.gz NNHUZURCCIKVIA-UHFFFAOYSA-N 1 2 266.344 3.712 20 30 CHEDLO Cc1ccsc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000345780121 335334178 /nfs/dbraw/zinc/33/41/78/335334178.db2.gz XYBBMORTLNCZGO-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO Cc1ccsc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000345780121 335334179 /nfs/dbraw/zinc/33/41/79/335334179.db2.gz XYBBMORTLNCZGO-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO N#Cc1ccccc1OC1CCC(Nc2cccc[nH+]2)CC1 ZINC000347191351 534818176 /nfs/dbraw/zinc/81/81/76/534818176.db2.gz VETGKWROGDIWTQ-UHFFFAOYSA-N 1 2 293.370 3.755 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000353330941 526905059 /nfs/dbraw/zinc/90/50/59/526905059.db2.gz SNWCSDGTSNZCCI-UHFFFAOYSA-N 1 2 281.783 3.509 20 30 CHEDLO C=CCCN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000344268216 527316841 /nfs/dbraw/zinc/31/68/41/527316841.db2.gz WBPFWLSGOWHOGT-UHFFFAOYSA-N 1 2 282.343 3.522 20 30 CHEDLO C=CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccccc1 ZINC000348005224 527585564 /nfs/dbraw/zinc/58/55/64/527585564.db2.gz RZHXWMOJGUPEBP-UHFFFAOYSA-N 1 2 282.387 3.502 20 30 CHEDLO C=CC[N@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccccc1 ZINC000348005224 527585569 /nfs/dbraw/zinc/58/55/69/527585569.db2.gz RZHXWMOJGUPEBP-UHFFFAOYSA-N 1 2 282.387 3.502 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000355445070 527645792 /nfs/dbraw/zinc/64/57/92/527645792.db2.gz GYWSMDVKJDUFPO-AWEZNQCLSA-N 1 2 283.375 3.780 20 30 CHEDLO CCOc1ccc(C#N)cc1NCCCc1ccc(C)[nH+]c1 ZINC000354657813 528382577 /nfs/dbraw/zinc/38/25/77/528382577.db2.gz CCOFBHLBGFTEFE-UHFFFAOYSA-N 1 2 295.386 3.705 20 30 CHEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC000112339247 1125486046 /nfs/dbraw/zinc/48/60/46/1125486046.db2.gz WIBACVMSELOMQK-LLVKDONJSA-N 1 2 293.208 3.746 20 30 CHEDLO Cc1cc(Cl)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000508980490 1120570107 /nfs/dbraw/zinc/57/01/07/1120570107.db2.gz VGWQFDXBWNOANV-LBPRGKRZSA-N 1 2 262.784 3.773 20 30 CHEDLO Cc1cc(Cl)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000508980490 1120570110 /nfs/dbraw/zinc/57/01/10/1120570110.db2.gz VGWQFDXBWNOANV-LBPRGKRZSA-N 1 2 262.784 3.773 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876690839 1124971473 /nfs/dbraw/zinc/97/14/73/1124971473.db2.gz SOPBRBZWOCYKHT-ZDUSSCGKSA-N 1 2 260.381 3.598 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1Cl ZINC001232112517 1132424599 /nfs/dbraw/zinc/42/45/99/1132424599.db2.gz WXWNWMGSZFWHTH-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](F)C2)cc1Cl ZINC001232112517 1132424603 /nfs/dbraw/zinc/42/46/03/1132424603.db2.gz WXWNWMGSZFWHTH-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(C)ccc1OC(C)C ZINC001232397064 1132465176 /nfs/dbraw/zinc/46/51/76/1132465176.db2.gz JDQLTBBNZMJMSC-UHFFFAOYSA-N 1 2 274.408 3.908 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232728169 1132509023 /nfs/dbraw/zinc/50/90/23/1132509023.db2.gz BEVFKKCWLNWDFO-UHFFFAOYSA-N 1 2 261.756 3.557 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000532815830 1125583813 /nfs/dbraw/zinc/58/38/13/1125583813.db2.gz IIRYIIOHGHHGEM-NSHDSACASA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000532815830 1125583819 /nfs/dbraw/zinc/58/38/19/1125583819.db2.gz IIRYIIOHGHHGEM-NSHDSACASA-N 1 2 282.309 3.829 20 30 CHEDLO CCc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162247727 1125745963 /nfs/dbraw/zinc/74/59/63/1125745963.db2.gz VVAYOEGUVKEGOW-UHFFFAOYSA-N 1 2 295.386 3.939 20 30 CHEDLO CCc1ccc(C2=CC[N@H+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000093262968 1125766474 /nfs/dbraw/zinc/76/64/74/1125766474.db2.gz UAZBWETVBYCPIF-QGZVFWFLSA-N 1 2 293.414 3.782 20 30 CHEDLO CCc1ccc(C2=CC[N@@H+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000093262968 1125766479 /nfs/dbraw/zinc/76/64/79/1125766479.db2.gz UAZBWETVBYCPIF-QGZVFWFLSA-N 1 2 293.414 3.782 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000536645264 1125767630 /nfs/dbraw/zinc/76/76/30/1125767630.db2.gz DWPPVOPVVPWBGZ-UHFFFAOYSA-N 1 2 288.288 3.969 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000536645264 1125767634 /nfs/dbraw/zinc/76/76/34/1125767634.db2.gz DWPPVOPVVPWBGZ-UHFFFAOYSA-N 1 2 288.288 3.969 20 30 CHEDLO C=CCC[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000621764672 1129190904 /nfs/dbraw/zinc/19/09/04/1129190904.db2.gz KRSPDZOMQINPFI-LLVKDONJSA-N 1 2 290.151 3.921 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000338349183 1126737463 /nfs/dbraw/zinc/73/74/63/1126737463.db2.gz DSNXFJJUUFPOQX-SECBINFHSA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000338349183 1126737465 /nfs/dbraw/zinc/73/74/65/1126737465.db2.gz DSNXFJJUUFPOQX-SECBINFHSA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000249082129 1126751489 /nfs/dbraw/zinc/75/14/89/1126751489.db2.gz AOMUZRFRJLITNR-CXAGYDPISA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000249082129 1126751494 /nfs/dbraw/zinc/75/14/94/1126751494.db2.gz AOMUZRFRJLITNR-CXAGYDPISA-N 1 2 298.411 3.754 20 30 CHEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1Cl ZINC000483546654 1126792143 /nfs/dbraw/zinc/79/21/43/1126792143.db2.gz SXLVNOYTQWQDCX-UHFFFAOYSA-N 1 2 269.775 3.824 20 30 CHEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1Cl ZINC000483546654 1126792148 /nfs/dbraw/zinc/79/21/48/1126792148.db2.gz SXLVNOYTQWQDCX-UHFFFAOYSA-N 1 2 269.775 3.824 20 30 CHEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@H](C#N)CCC#N)CC2 ZINC000182249246 1126869294 /nfs/dbraw/zinc/86/92/94/1126869294.db2.gz MEBVNWBRWKCJKM-HNNXBMFYSA-N 1 2 295.430 3.786 20 30 CHEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@H](C#N)CCC#N)CC2 ZINC000182249246 1126869297 /nfs/dbraw/zinc/86/92/97/1126869297.db2.gz MEBVNWBRWKCJKM-HNNXBMFYSA-N 1 2 295.430 3.786 20 30 CHEDLO CCSCc1cc[nH+]c(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185873016 1126903899 /nfs/dbraw/zinc/90/38/99/1126903899.db2.gz PAVLMTDLEWJWJJ-JSGCOSHPSA-N 1 2 275.421 3.829 20 30 CHEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365111 1126910485 /nfs/dbraw/zinc/91/04/85/1126910485.db2.gz UUUAHWSIWZLVBJ-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365111 1126910487 /nfs/dbraw/zinc/91/04/87/1126910487.db2.gz UUUAHWSIWZLVBJ-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](CC[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000193881074 1126971509 /nfs/dbraw/zinc/97/15/09/1126971509.db2.gz HAIMFVRRXUBNJL-KRWDZBQOSA-N 1 2 293.414 3.991 20 30 CHEDLO C[C@@H](CC[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000193881074 1126971511 /nfs/dbraw/zinc/97/15/11/1126971511.db2.gz HAIMFVRRXUBNJL-KRWDZBQOSA-N 1 2 293.414 3.991 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000271145857 1127069527 /nfs/dbraw/zinc/06/95/27/1127069527.db2.gz XYAWQHUCRABRCU-VIFPVBQESA-N 1 2 290.716 3.950 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000271145857 1127069530 /nfs/dbraw/zinc/06/95/30/1127069530.db2.gz XYAWQHUCRABRCU-VIFPVBQESA-N 1 2 290.716 3.950 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271121321 1127069931 /nfs/dbraw/zinc/06/99/31/1127069931.db2.gz HYMRLUWMDXDKLK-GFCCVEGCSA-N 1 2 272.323 3.677 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271121321 1127069933 /nfs/dbraw/zinc/06/99/33/1127069933.db2.gz HYMRLUWMDXDKLK-GFCCVEGCSA-N 1 2 272.323 3.677 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCc2ccccc21 ZINC000912962681 1127117238 /nfs/dbraw/zinc/11/72/38/1127117238.db2.gz YNQCABXORQYOIF-SJPXOZHESA-N 1 2 265.356 3.931 20 30 CHEDLO CC[N@@H+](CCC#N)CCOc1ccc(Cl)cc1Cl ZINC000348540165 1127121199 /nfs/dbraw/zinc/12/11/99/1127121199.db2.gz DYTGWFYFLMYTAH-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO CC[N@H+](CCC#N)CCOc1ccc(Cl)cc1Cl ZINC000348540165 1127121202 /nfs/dbraw/zinc/12/12/02/1127121202.db2.gz DYTGWFYFLMYTAH-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000349861907 1127165558 /nfs/dbraw/zinc/16/55/58/1127165558.db2.gz RORXNMHDBZXHGY-UHFFFAOYSA-N 1 2 268.360 3.991 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000349861907 1127165559 /nfs/dbraw/zinc/16/55/59/1127165559.db2.gz RORXNMHDBZXHGY-UHFFFAOYSA-N 1 2 268.360 3.991 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000349870743 1127166164 /nfs/dbraw/zinc/16/61/64/1127166164.db2.gz CVKSODFNIKMGAW-UHFFFAOYSA-N 1 2 272.323 3.821 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000349870743 1127166166 /nfs/dbraw/zinc/16/61/66/1127166166.db2.gz CVKSODFNIKMGAW-UHFFFAOYSA-N 1 2 272.323 3.821 20 30 CHEDLO COCC[N@H+](CCC#N)Cc1ccc(C2CCCC2)cc1 ZINC000588960066 1127208190 /nfs/dbraw/zinc/20/81/90/1127208190.db2.gz NVRXFBOUXXFCFT-UHFFFAOYSA-N 1 2 286.419 3.706 20 30 CHEDLO COCC[N@@H+](CCC#N)Cc1ccc(C2CCCC2)cc1 ZINC000588960066 1127208194 /nfs/dbraw/zinc/20/81/94/1127208194.db2.gz NVRXFBOUXXFCFT-UHFFFAOYSA-N 1 2 286.419 3.706 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590173255 1127251434 /nfs/dbraw/zinc/25/14/34/1127251434.db2.gz VIBHZOXVZOXUTF-QGZVFWFLSA-N 1 2 271.408 3.639 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590173255 1127251437 /nfs/dbraw/zinc/25/14/37/1127251437.db2.gz VIBHZOXVZOXUTF-QGZVFWFLSA-N 1 2 271.408 3.639 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000354025295 1127286606 /nfs/dbraw/zinc/28/66/06/1127286606.db2.gz BFNQKEHVWKEQLW-LLVKDONJSA-N 1 2 272.323 3.696 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000354025295 1127286607 /nfs/dbraw/zinc/28/66/07/1127286607.db2.gz BFNQKEHVWKEQLW-LLVKDONJSA-N 1 2 272.323 3.696 20 30 CHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072378 1127334314 /nfs/dbraw/zinc/33/43/14/1127334314.db2.gz JLFMAVXDCCVBTG-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072378 1127334317 /nfs/dbraw/zinc/33/43/17/1127334317.db2.gz JLFMAVXDCCVBTG-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593650572 1127393368 /nfs/dbraw/zinc/39/33/68/1127393368.db2.gz VKZHRIGXFQDKET-OCCSQVGLSA-N 1 2 258.365 3.577 20 30 CHEDLO CC[N@@H+](Cc1cc(C(C)C)ccc1OC)C[C@H](C)C#N ZINC000593952268 1127403423 /nfs/dbraw/zinc/40/34/23/1127403423.db2.gz VDANPRNYJMUFCX-CQSZACIVSA-N 1 2 274.408 3.800 20 30 CHEDLO CC[N@H+](Cc1cc(C(C)C)ccc1OC)C[C@H](C)C#N ZINC000593952268 1127403424 /nfs/dbraw/zinc/40/34/24/1127403424.db2.gz VDANPRNYJMUFCX-CQSZACIVSA-N 1 2 274.408 3.800 20 30 CHEDLO N#Cc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1F ZINC000594741711 1127431142 /nfs/dbraw/zinc/43/11/42/1127431142.db2.gz CKBGVPHBHQQFMI-UHFFFAOYSA-N 1 2 281.334 3.583 20 30 CHEDLO CC(C)(C)[N@@H+](Cc1ccsc1)Cc1nc(C#N)cs1 ZINC000595601682 1127469733 /nfs/dbraw/zinc/46/97/33/1127469733.db2.gz QKPBZNQUVDEKQH-UHFFFAOYSA-N 1 2 291.445 3.877 20 30 CHEDLO CC(C)(C)[N@H+](Cc1ccsc1)Cc1nc(C#N)cs1 ZINC000595601682 1127469734 /nfs/dbraw/zinc/46/97/34/1127469734.db2.gz QKPBZNQUVDEKQH-UHFFFAOYSA-N 1 2 291.445 3.877 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595703194 1127473229 /nfs/dbraw/zinc/47/32/29/1127473229.db2.gz LFKUSCQXAOPDCS-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595703194 1127473231 /nfs/dbraw/zinc/47/32/31/1127473231.db2.gz LFKUSCQXAOPDCS-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO CC[N@H+](CCCCCn1c(C)nc2ccccc21)[C@H](C)C#N ZINC000595821366 1127476747 /nfs/dbraw/zinc/47/67/47/1127476747.db2.gz UTPWSFYJTSXOMS-OAHLLOKOSA-N 1 2 298.434 3.749 20 30 CHEDLO CC[N@@H+](CCCCCn1c(C)nc2ccccc21)[C@H](C)C#N ZINC000595821366 1127476748 /nfs/dbraw/zinc/47/67/48/1127476748.db2.gz UTPWSFYJTSXOMS-OAHLLOKOSA-N 1 2 298.434 3.749 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000595840662 1127477142 /nfs/dbraw/zinc/47/71/42/1127477142.db2.gz RGIKOYKDAUJZDP-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000595840662 1127477145 /nfs/dbraw/zinc/47/71/45/1127477145.db2.gz RGIKOYKDAUJZDP-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO Cc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000593124961 1127478059 /nfs/dbraw/zinc/47/80/59/1127478059.db2.gz NQKULHWCIUWCEG-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000593124961 1127478061 /nfs/dbraw/zinc/47/80/61/1127478061.db2.gz NQKULHWCIUWCEG-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO CCc1cccc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)oc21 ZINC000597230710 1127534898 /nfs/dbraw/zinc/53/48/98/1127534898.db2.gz IGUCLJMWGDUQCP-KRWDZBQOSA-N 1 2 268.360 3.731 20 30 CHEDLO CCc1cccc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)oc21 ZINC000597230710 1127534901 /nfs/dbraw/zinc/53/49/01/1127534901.db2.gz IGUCLJMWGDUQCP-KRWDZBQOSA-N 1 2 268.360 3.731 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000597232048 1127535381 /nfs/dbraw/zinc/53/53/81/1127535381.db2.gz RJQOMXPLMMYHJP-HNNXBMFYSA-N 1 2 280.774 3.647 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000597232048 1127535384 /nfs/dbraw/zinc/53/53/84/1127535384.db2.gz RJQOMXPLMMYHJP-HNNXBMFYSA-N 1 2 280.774 3.647 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361316883 1127556085 /nfs/dbraw/zinc/55/60/85/1127556085.db2.gz WNHNQSAKXIFJIT-SJLPKXTDSA-N 1 2 280.371 3.799 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361316883 1127556087 /nfs/dbraw/zinc/55/60/87/1127556087.db2.gz WNHNQSAKXIFJIT-SJLPKXTDSA-N 1 2 280.371 3.799 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000361602013 1127576505 /nfs/dbraw/zinc/57/65/05/1127576505.db2.gz LNPUIRPSFGPHCP-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000361602013 1127576507 /nfs/dbraw/zinc/57/65/07/1127576507.db2.gz LNPUIRPSFGPHCP-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1cccnc1 ZINC000602669604 1127603513 /nfs/dbraw/zinc/60/35/13/1127603513.db2.gz YYXGWQHUEHFJEY-ZDUSSCGKSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1cccnc1 ZINC000602669604 1127603514 /nfs/dbraw/zinc/60/35/14/1127603514.db2.gz YYXGWQHUEHFJEY-ZDUSSCGKSA-N 1 2 283.350 3.675 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCOc2ccccc21 ZINC000362120726 1127613329 /nfs/dbraw/zinc/61/33/29/1127613329.db2.gz XFEYIMKJCCXNRZ-OAHLLOKOSA-N 1 2 296.370 3.562 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCOc2ccccc21 ZINC000362120726 1127613332 /nfs/dbraw/zinc/61/33/32/1127613332.db2.gz XFEYIMKJCCXNRZ-OAHLLOKOSA-N 1 2 296.370 3.562 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980073 1127623290 /nfs/dbraw/zinc/62/32/90/1127623290.db2.gz LLCVVUQMRXVQAE-BXUZGUMPSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980073 1127623292 /nfs/dbraw/zinc/62/32/92/1127623292.db2.gz LLCVVUQMRXVQAE-BXUZGUMPSA-N 1 2 266.747 3.603 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981266 1127624123 /nfs/dbraw/zinc/62/41/23/1127624123.db2.gz AJMHOLIECJSWII-JKSUJKDBSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981266 1127624125 /nfs/dbraw/zinc/62/41/25/1127624125.db2.gz AJMHOLIECJSWII-JKSUJKDBSA-N 1 2 295.386 3.774 20 30 CHEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284024 1127625226 /nfs/dbraw/zinc/62/52/26/1127625226.db2.gz KLCXAUCZWUZUKH-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284024 1127625227 /nfs/dbraw/zinc/62/52/27/1127625227.db2.gz KLCXAUCZWUZUKH-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO N#Cc1cccc(C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598649803 1127630458 /nfs/dbraw/zinc/63/04/58/1127630458.db2.gz GEXGKHGPHRPCDP-OAHLLOKOSA-N 1 2 278.346 3.862 20 30 CHEDLO CSc1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000603432608 1127649518 /nfs/dbraw/zinc/64/95/18/1127649518.db2.gz NMXZPVFVFOUKSS-UHFFFAOYSA-N 1 2 264.394 3.565 20 30 CHEDLO C#CC[N@@H+](Cc1ccn(C(C)C)n1)[C@H]1CCc2ccccc21 ZINC000172012135 1127738373 /nfs/dbraw/zinc/73/83/73/1127738373.db2.gz RFJAQDBFXNMXBF-IBGZPJMESA-N 1 2 293.414 3.587 20 30 CHEDLO C#CC[N@H+](Cc1ccn(C(C)C)n1)[C@H]1CCc2ccccc21 ZINC000172012135 1127738375 /nfs/dbraw/zinc/73/83/75/1127738375.db2.gz RFJAQDBFXNMXBF-IBGZPJMESA-N 1 2 293.414 3.587 20 30 CHEDLO Cc1ccc2ncc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc2c1 ZINC000411398961 1127858897 /nfs/dbraw/zinc/85/88/97/1127858897.db2.gz DQPPQHBGRLEDJZ-AWEZNQCLSA-N 1 2 279.387 3.667 20 30 CHEDLO Cc1ccc2ncc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc2c1 ZINC000411398961 1127858902 /nfs/dbraw/zinc/85/89/02/1127858902.db2.gz DQPPQHBGRLEDJZ-AWEZNQCLSA-N 1 2 279.387 3.667 20 30 CHEDLO CC[N@H+](Cc1occc1C)Cc1cc(F)ccc1C#N ZINC000412027139 1127890670 /nfs/dbraw/zinc/89/06/70/1127890670.db2.gz OJAPEMDUIGNVSX-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO CC[N@@H+](Cc1occc1C)Cc1cc(F)ccc1C#N ZINC000412027139 1127890676 /nfs/dbraw/zinc/89/06/76/1127890676.db2.gz OJAPEMDUIGNVSX-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO N#CCCCCNc1[nH+]cccc1OCc1ccccc1F ZINC001168429204 1127920707 /nfs/dbraw/zinc/92/07/07/1127920707.db2.gz MWDODJAUGWYVTM-UHFFFAOYSA-N 1 2 299.349 3.905 20 30 CHEDLO C=C(Cl)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375002572 1127923666 /nfs/dbraw/zinc/92/36/66/1127923666.db2.gz HDQHPVIPWONWCB-UHFFFAOYSA-N 1 2 269.175 3.577 20 30 CHEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375002572 1127923669 /nfs/dbraw/zinc/92/36/69/1127923669.db2.gz HDQHPVIPWONWCB-UHFFFAOYSA-N 1 2 269.175 3.577 20 30 CHEDLO C=CCC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541023907 1128005420 /nfs/dbraw/zinc/00/54/20/1128005420.db2.gz YVSCSSJBYXLKFZ-CQSZACIVSA-N 1 2 285.309 3.655 20 30 CHEDLO C=CCC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541023907 1128005425 /nfs/dbraw/zinc/00/54/25/1128005425.db2.gz YVSCSSJBYXLKFZ-CQSZACIVSA-N 1 2 285.309 3.655 20 30 CHEDLO N#CCc1ccc(COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000542220191 1128056839 /nfs/dbraw/zinc/05/68/39/1128056839.db2.gz VIQLJBHAOMSDRO-UHFFFAOYSA-N 1 2 289.338 3.517 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(F)nc1C)c1ccc(Cl)cc1 ZINC000491338894 1128062668 /nfs/dbraw/zinc/06/26/68/1128062668.db2.gz MIPCCQYBNTZCGQ-HNNXBMFYSA-N 1 2 288.753 3.647 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cscc1C)c1cccc(C#N)c1O ZINC000926302975 1128165807 /nfs/dbraw/zinc/16/58/07/1128165807.db2.gz KUUBYADCBMKQRH-OAHLLOKOSA-N 1 2 286.400 3.875 20 30 CHEDLO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000926408455 1128170886 /nfs/dbraw/zinc/17/08/86/1128170886.db2.gz KNVVIQBZLPPNLY-LBPRGKRZSA-N 1 2 298.308 3.647 20 30 CHEDLO CC[C@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(C#N)c1O ZINC000926841311 1128197879 /nfs/dbraw/zinc/19/78/79/1128197879.db2.gz IVHWVUNWEBHOAR-ZDUSSCGKSA-N 1 2 296.361 3.986 20 30 CHEDLO CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(C#N)c1O ZINC000926674844 1128187295 /nfs/dbraw/zinc/18/72/95/1128187295.db2.gz FIXJKVZKLUVFCI-BBRMVZONSA-N 1 2 295.386 3.503 20 30 CHEDLO C[C@H](Cc1cccc(F)c1)[N@H+](CCC#N)Cc1cccnc1 ZINC001168477980 1128234449 /nfs/dbraw/zinc/23/44/49/1128234449.db2.gz DRZRDEVJVJBIOP-OAHLLOKOSA-N 1 2 297.377 3.568 20 30 CHEDLO C[C@H](Cc1cccc(F)c1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001168477980 1128234452 /nfs/dbraw/zinc/23/44/52/1128234452.db2.gz DRZRDEVJVJBIOP-OAHLLOKOSA-N 1 2 297.377 3.568 20 30 CHEDLO Cc1nc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000272267938 1128278916 /nfs/dbraw/zinc/27/89/16/1128278916.db2.gz MUFDGQVRCZBCCJ-NSHDSACASA-N 1 2 283.400 3.663 20 30 CHEDLO CC1(C)C[N@H+](Cc2cncc(C#N)c2)[C@H]1c1cccs1 ZINC000930495237 1128321754 /nfs/dbraw/zinc/32/17/54/1128321754.db2.gz XJNNYTUEPYLFJG-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cncc(C#N)c2)[C@H]1c1cccs1 ZINC000930495237 1128321759 /nfs/dbraw/zinc/32/17/59/1128321759.db2.gz XJNNYTUEPYLFJG-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000932153140 1128396836 /nfs/dbraw/zinc/39/68/36/1128396836.db2.gz VYXHJYRVBSFKBV-ABAIWWIYSA-N 1 2 260.768 3.563 20 30 CHEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000932153140 1128396841 /nfs/dbraw/zinc/39/68/41/1128396841.db2.gz VYXHJYRVBSFKBV-ABAIWWIYSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CCC#N ZINC000932917716 1128426533 /nfs/dbraw/zinc/42/65/33/1128426533.db2.gz WSGQUKRCMOVWMT-ZDUSSCGKSA-N 1 2 268.813 3.712 20 30 CHEDLO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCC#N ZINC000932917716 1128426535 /nfs/dbraw/zinc/42/65/35/1128426535.db2.gz WSGQUKRCMOVWMT-ZDUSSCGKSA-N 1 2 268.813 3.712 20 30 CHEDLO C#CC[N@H+](Cc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000917116960 1128483266 /nfs/dbraw/zinc/48/32/66/1128483266.db2.gz AWQHDVPSANAHKY-FQEVSTJZSA-N 1 2 286.378 3.681 20 30 CHEDLO C#CC[N@@H+](Cc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000917116960 1128483268 /nfs/dbraw/zinc/48/32/68/1128483268.db2.gz AWQHDVPSANAHKY-FQEVSTJZSA-N 1 2 286.378 3.681 20 30 CHEDLO Cc1cc(C)c(CC/[NH+]=C/c2cccc(O)c2O)c(C)c1 ZINC000917556612 1128507143 /nfs/dbraw/zinc/50/71/43/1128507143.db2.gz FKIWCZOEGKQDSL-YBFXNURJSA-N 1 2 283.371 3.685 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000128783921 1128517169 /nfs/dbraw/zinc/51/71/69/1128517169.db2.gz MJNJBCDPSUEKHW-UHFFFAOYSA-N 1 2 281.359 3.784 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000565742603 1128531760 /nfs/dbraw/zinc/53/17/60/1128531760.db2.gz FHJQALRNACVGOC-JDGPPOGSSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000565742603 1128531762 /nfs/dbraw/zinc/53/17/62/1128531762.db2.gz FHJQALRNACVGOC-JDGPPOGSSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@H](C#N)C[N@H+](C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000565742725 1128532388 /nfs/dbraw/zinc/53/23/88/1128532388.db2.gz FHJQALRNACVGOC-ZZKXABKFSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000565742725 1128532390 /nfs/dbraw/zinc/53/23/90/1128532390.db2.gz FHJQALRNACVGOC-ZZKXABKFSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc2n(n1)CCC2 ZINC000570662554 1128628997 /nfs/dbraw/zinc/62/89/97/1128628997.db2.gz MKAHLEICJRUSHV-WMLDXEAASA-N 1 2 294.402 3.525 20 30 CHEDLO CC(C)(CC/[NH+]=C/c1cccc(O)c1O)c1ccccc1 ZINC000920177312 1128670639 /nfs/dbraw/zinc/67/06/39/1128670639.db2.gz GBKLLIGJRTWXIT-CPNJWEJPSA-N 1 2 283.371 3.885 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CCCc2ccccc2)c1 ZINC000920942671 1128695360 /nfs/dbraw/zinc/69/53/60/1128695360.db2.gz AWIFYNIPQKSAHZ-RGEXLXHISA-N 1 2 283.371 3.843 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCCc2ccccc2)c1O ZINC000920943228 1128695516 /nfs/dbraw/zinc/69/55/16/1128695516.db2.gz SUGKQKSZVCQLHS-XMHGGMMESA-N 1 2 283.371 3.843 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CC2CCCCC2)c1O ZINC000920945991 1128695995 /nfs/dbraw/zinc/69/59/95/1128695995.db2.gz NDTKLXWHEPNNQB-ATVHPVEESA-N 1 2 261.365 3.790 20 30 CHEDLO C=CCCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000578484597 1128719405 /nfs/dbraw/zinc/71/94/05/1128719405.db2.gz NNWIZOWDXSPJAA-UHFFFAOYSA-N 1 2 267.376 3.544 20 30 CHEDLO C=CCCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000578484597 1128719408 /nfs/dbraw/zinc/71/94/08/1128719408.db2.gz NNWIZOWDXSPJAA-UHFFFAOYSA-N 1 2 267.376 3.544 20 30 CHEDLO N#CCc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1 ZINC000510093689 1117881421 /nfs/dbraw/zinc/88/14/21/1117881421.db2.gz KARNCCHOAMPVBJ-UHFFFAOYSA-N 1 2 278.346 3.810 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC000180039668 1117920385 /nfs/dbraw/zinc/92/03/85/1117920385.db2.gz SXZGFJJECJYQAQ-OAHLLOKOSA-N 1 2 283.375 3.744 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000182334621 1118020971 /nfs/dbraw/zinc/02/09/71/1118020971.db2.gz CZOLKKAVGZAAAG-UHFFFAOYSA-N 1 2 272.392 3.521 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000182334621 1118020975 /nfs/dbraw/zinc/02/09/75/1118020975.db2.gz CZOLKKAVGZAAAG-UHFFFAOYSA-N 1 2 272.392 3.521 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cccc(OC2CCCC2)c1 ZINC000127601349 1118032474 /nfs/dbraw/zinc/03/24/74/1118032474.db2.gz SFUQZPVLFXXUKO-UHFFFAOYSA-N 1 2 272.392 3.744 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cccc(OC2CCCC2)c1 ZINC000127601349 1118032480 /nfs/dbraw/zinc/03/24/80/1118032480.db2.gz SFUQZPVLFXXUKO-UHFFFAOYSA-N 1 2 272.392 3.744 20 30 CHEDLO C=CCN(Cc1ccccc1)c1cc(CC)[nH+]c(C)n1 ZINC001167126863 1118042296 /nfs/dbraw/zinc/04/22/96/1118042296.db2.gz UCVGCAFGJLXAOO-UHFFFAOYSA-N 1 2 267.376 3.540 20 30 CHEDLO C=CCCCCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209438797 1118057409 /nfs/dbraw/zinc/05/74/09/1118057409.db2.gz VSQNDMLPZRYFBX-CQSZACIVSA-N 1 2 255.377 3.516 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209438797 1118057413 /nfs/dbraw/zinc/05/74/13/1118057413.db2.gz VSQNDMLPZRYFBX-CQSZACIVSA-N 1 2 255.377 3.516 20 30 CHEDLO C#CC[N@@H+](Cc1cc(Cl)c(OC)cc1Cl)C1CC1 ZINC000764677932 1118105416 /nfs/dbraw/zinc/10/54/16/1118105416.db2.gz XVTQZHLZLPMZHX-UHFFFAOYSA-N 1 2 284.186 3.600 20 30 CHEDLO C#CC[N@H+](Cc1cc(Cl)c(OC)cc1Cl)C1CC1 ZINC000764677932 1118105418 /nfs/dbraw/zinc/10/54/18/1118105418.db2.gz XVTQZHLZLPMZHX-UHFFFAOYSA-N 1 2 284.186 3.600 20 30 CHEDLO CC[N@H+](C)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC001210156104 1118174785 /nfs/dbraw/zinc/17/47/85/1118174785.db2.gz XKKVPYUKLIYAOR-UHFFFAOYSA-N 1 2 272.392 3.828 20 30 CHEDLO CC[N@@H+](C)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC001210156104 1118174786 /nfs/dbraw/zinc/17/47/86/1118174786.db2.gz XKKVPYUKLIYAOR-UHFFFAOYSA-N 1 2 272.392 3.828 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(F)cc1C#N ZINC001210553958 1118324887 /nfs/dbraw/zinc/32/48/87/1118324887.db2.gz AHWSKBJEFSYPSV-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1csc(C)n1)c1ccco1 ZINC000671741955 1118329937 /nfs/dbraw/zinc/32/99/37/1118329937.db2.gz ALAXXASUDYSVRT-CYBMUJFWSA-N 1 2 262.378 3.842 20 30 CHEDLO COc1cc(Nc2c(C#N)oc3ccccc32)cc(C)[nH+]1 ZINC001210774605 1118380475 /nfs/dbraw/zinc/38/04/75/1118380475.db2.gz OVJVEMIJVJMYIZ-UHFFFAOYSA-N 1 2 279.299 3.760 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000075625424 1118397248 /nfs/dbraw/zinc/39/72/48/1118397248.db2.gz UCRPHDHDCFHDKB-UHFFFAOYSA-N 1 2 268.360 3.824 20 30 CHEDLO Cc1cc(Nc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC001210809830 1118401283 /nfs/dbraw/zinc/40/12/83/1118401283.db2.gz FYAZARYXIMMXRI-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CSc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255229202 1118510860 /nfs/dbraw/zinc/51/08/60/1118510860.db2.gz OHQWDVQCUONNCF-YFHOEESVSA-N 1 2 294.379 3.952 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000580932381 1118524282 /nfs/dbraw/zinc/52/42/82/1118524282.db2.gz OTZFQXXBZQYKKU-CYBMUJFWSA-N 1 2 297.333 3.619 20 30 CHEDLO C=CCOCCCSCCc1[nH+]cc(C)cc1C ZINC000580952338 1118528457 /nfs/dbraw/zinc/52/84/57/1118528457.db2.gz YCMFWSFFUOIBAK-UHFFFAOYSA-N 1 2 265.422 3.567 20 30 CHEDLO CSc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000180310741 1128785770 /nfs/dbraw/zinc/78/57/70/1128785770.db2.gz FETVUZYAEGCRLR-JXMROGBWSA-N 1 2 294.379 3.952 20 30 CHEDLO CCO[C@@H](CC/[NH+]=C\c1ccccc1O)C1CCCC1 ZINC000255355407 1118662698 /nfs/dbraw/zinc/66/26/98/1118662698.db2.gz LKWOKGLKZVFZCF-XIDKLXSXSA-N 1 2 275.392 3.797 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1csc(C(F)(F)F)n1 ZINC000891456228 1118688772 /nfs/dbraw/zinc/68/87/72/1118688772.db2.gz FPQJZCRNMUGYBH-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1csc(C(F)(F)F)n1 ZINC000891456228 1118688773 /nfs/dbraw/zinc/68/87/73/1118688773.db2.gz FPQJZCRNMUGYBH-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc(C#N)c1 ZINC000891524071 1118702685 /nfs/dbraw/zinc/70/26/85/1118702685.db2.gz IIXGGWUBHGWXAB-SNVBAGLBSA-N 1 2 274.414 3.801 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1csc(C#N)c1 ZINC000891524071 1118702683 /nfs/dbraw/zinc/70/26/83/1118702683.db2.gz IIXGGWUBHGWXAB-SNVBAGLBSA-N 1 2 274.414 3.801 20 30 CHEDLO CCn1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)c1 ZINC000616786142 1128799504 /nfs/dbraw/zinc/79/95/04/1128799504.db2.gz LREMRVRWFMDTKY-UHFFFAOYSA-N 1 2 287.794 3.665 20 30 CHEDLO CCn1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)c1 ZINC000616786142 1128799507 /nfs/dbraw/zinc/79/95/07/1128799507.db2.gz LREMRVRWFMDTKY-UHFFFAOYSA-N 1 2 287.794 3.665 20 30 CHEDLO CC[N@@H+](Cc1cc(C)c(C)cc1OC(F)F)C[C@H](C)C#N ZINC000091984009 1118837712 /nfs/dbraw/zinc/83/77/12/1118837712.db2.gz RJMXGWHPBWTNQC-LLVKDONJSA-N 1 2 296.361 3.886 20 30 CHEDLO CC[N@H+](Cc1cc(C)c(C)cc1OC(F)F)C[C@H](C)C#N ZINC000091984009 1118837718 /nfs/dbraw/zinc/83/77/18/1118837718.db2.gz RJMXGWHPBWTNQC-LLVKDONJSA-N 1 2 296.361 3.886 20 30 CHEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000891937955 1118856225 /nfs/dbraw/zinc/85/62/25/1118856225.db2.gz WLXPWNMXLOQUJI-UHFFFAOYSA-N 1 2 290.455 3.843 20 30 CHEDLO Cc1ccc(CC[N@H+](CCC#N)Cc2ccccn2)cc1C ZINC000891937200 1118856202 /nfs/dbraw/zinc/85/62/02/1118856202.db2.gz AYGCDYZZJZKYAT-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO Cc1ccc(CC[N@@H+](CCC#N)Cc2ccccn2)cc1C ZINC000891937200 1118856205 /nfs/dbraw/zinc/85/62/05/1118856205.db2.gz AYGCDYZZJZKYAT-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000891937955 1118856222 /nfs/dbraw/zinc/85/62/22/1118856222.db2.gz WLXPWNMXLOQUJI-UHFFFAOYSA-N 1 2 290.455 3.843 20 30 CHEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000610989108 1118917549 /nfs/dbraw/zinc/91/75/49/1118917549.db2.gz FJNKPGRYBOKIPA-GDBMZVCRSA-N 1 2 267.376 3.513 20 30 CHEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000610989108 1118917551 /nfs/dbraw/zinc/91/75/51/1118917551.db2.gz FJNKPGRYBOKIPA-GDBMZVCRSA-N 1 2 267.376 3.513 20 30 CHEDLO CCc1cnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000187708037 1118940141 /nfs/dbraw/zinc/94/01/41/1118940141.db2.gz NWVBDDCXBQJQAT-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000187708037 1118940145 /nfs/dbraw/zinc/94/01/45/1118940145.db2.gz NWVBDDCXBQJQAT-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO CCOc1ccccc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000352871991 1119046810 /nfs/dbraw/zinc/04/68/10/1119046810.db2.gz WINXOIBQPIKXKP-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352871991 1119046814 /nfs/dbraw/zinc/04/68/14/1119046814.db2.gz WINXOIBQPIKXKP-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464560 1119079223 /nfs/dbraw/zinc/07/92/23/1119079223.db2.gz JNPOBMDBUXVQBJ-STQMWFEESA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000934464560 1119079227 /nfs/dbraw/zinc/07/92/27/1119079227.db2.gz JNPOBMDBUXVQBJ-STQMWFEESA-N 1 2 292.810 3.626 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2cccc(C#N)c2)c1 ZINC000339739589 1119116881 /nfs/dbraw/zinc/11/68/81/1119116881.db2.gz CCAYTFXBJVKPLC-UHFFFAOYSA-N 1 2 270.357 3.563 20 30 CHEDLO C=CCCCC[NH2+]Cc1cccc(Br)c1O ZINC000309342825 1119216656 /nfs/dbraw/zinc/21/66/56/1119216656.db2.gz VROQYYAAKCJHKZ-UHFFFAOYSA-N 1 2 284.197 3.601 20 30 CHEDLO C=CCC[C@@H](CC)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000583339920 1119342790 /nfs/dbraw/zinc/34/27/90/1119342790.db2.gz MGEDTBKROZQYBI-CQSZACIVSA-N 1 2 259.397 3.839 20 30 CHEDLO N#Cc1cccc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087988 1119343982 /nfs/dbraw/zinc/34/39/82/1119343982.db2.gz KCFWYIHXMWBCIO-UHFFFAOYSA-N 1 2 285.310 3.564 20 30 CHEDLO C=CCCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000156940649 1119376689 /nfs/dbraw/zinc/37/66/89/1119376689.db2.gz NPUTVPFQIZJHJS-CYBMUJFWSA-N 1 2 296.484 3.759 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000052439956 1119378262 /nfs/dbraw/zinc/37/82/62/1119378262.db2.gz ZVSCMTAEZGRANA-UHFFFAOYSA-N 1 2 296.208 3.568 20 30 CHEDLO C=C(Br)C[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000052439956 1119378266 /nfs/dbraw/zinc/37/82/66/1119378266.db2.gz ZVSCMTAEZGRANA-UHFFFAOYSA-N 1 2 296.208 3.568 20 30 CHEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329484879 1119421908 /nfs/dbraw/zinc/42/19/08/1119421908.db2.gz SLSQBOCUXKVXEG-MELADBBJSA-N 1 2 275.396 3.658 20 30 CHEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329484879 1119421910 /nfs/dbraw/zinc/42/19/10/1119421910.db2.gz SLSQBOCUXKVXEG-MELADBBJSA-N 1 2 275.396 3.658 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2cc(C)c(F)c(C)c2)[nH+]c1C ZINC000901480386 1128866551 /nfs/dbraw/zinc/86/65/51/1128866551.db2.gz MUUJGJBSJSUTGS-AATRIKPKSA-N 1 2 272.323 3.679 20 30 CHEDLO CCCCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612404391 1119783331 /nfs/dbraw/zinc/78/33/31/1119783331.db2.gz VFQUCJNOWYMJGT-SFHVURJKSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612404391 1119783335 /nfs/dbraw/zinc/78/33/35/1119783335.db2.gz VFQUCJNOWYMJGT-SFHVURJKSA-N 1 2 286.419 3.991 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000612405654 1119784491 /nfs/dbraw/zinc/78/44/91/1119784491.db2.gz CBUVKPRYLWJWDZ-MRXNPFEDSA-N 1 2 272.323 3.698 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000612405654 1119784494 /nfs/dbraw/zinc/78/44/94/1119784494.db2.gz CBUVKPRYLWJWDZ-MRXNPFEDSA-N 1 2 272.323 3.698 20 30 CHEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)c(C)o1 ZINC000162254560 1119797853 /nfs/dbraw/zinc/79/78/53/1119797853.db2.gz POLMSWOAXFATCK-UHFFFAOYSA-N 1 2 285.347 3.586 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)s1 ZINC000180038669 1119830582 /nfs/dbraw/zinc/83/05/82/1119830582.db2.gz GGWQSQXVKLKCFO-UHFFFAOYSA-N 1 2 290.432 3.545 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)s1 ZINC000180038669 1119830588 /nfs/dbraw/zinc/83/05/88/1119830588.db2.gz GGWQSQXVKLKCFO-UHFFFAOYSA-N 1 2 290.432 3.545 20 30 CHEDLO CC[C@@H]([NH2+]CCCc1ccco1)c1cccc(C#N)c1O ZINC000926728779 1119872286 /nfs/dbraw/zinc/87/22/86/1119872286.db2.gz SGBLQURBTMINQM-MRXNPFEDSA-N 1 2 284.359 3.530 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@](C)(C#N)C1 ZINC000613183098 1119880379 /nfs/dbraw/zinc/88/03/79/1119880379.db2.gz QYSFNUMKQTULKW-GOSISDBHSA-N 1 2 279.387 3.982 20 30 CHEDLO Cc1ccccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000180309933 1119980192 /nfs/dbraw/zinc/98/01/92/1119980192.db2.gz LEMGGYHROAJQPY-MDZDMXLPSA-N 1 2 262.312 3.539 20 30 CHEDLO Cc1[nH]c(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)[nH+]c1C ZINC000921659640 1120058580 /nfs/dbraw/zinc/05/85/80/1120058580.db2.gz OKRRXTYMQSBVLM-UHFFFAOYSA-N 1 2 296.374 3.572 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000613666823 1120157936 /nfs/dbraw/zinc/15/79/36/1120157936.db2.gz BAIASMWWXSFIOC-KFWWJZLASA-N 1 2 278.346 3.535 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/C(=O)c2ccccc2[C@H]1C ZINC000901506408 1128896926 /nfs/dbraw/zinc/89/69/26/1128896926.db2.gz LWVVPRMVXQBKPK-GGNJANJASA-N 1 2 266.344 3.847 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1cccc(C#N)c1 ZINC000921803567 1120220552 /nfs/dbraw/zinc/22/05/52/1120220552.db2.gz XEXIWMWDZYDQIC-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO N#Cc1cccc(C2([NH2+]Cc3csc(C4CC4)n3)CC2)c1 ZINC000341217072 1120246861 /nfs/dbraw/zinc/24/68/61/1120246861.db2.gz XIRVCKJCHMSKQO-UHFFFAOYSA-N 1 2 295.411 3.671 20 30 CHEDLO C=CCOc1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672213293 1120256058 /nfs/dbraw/zinc/25/60/58/1120256058.db2.gz IOLGUTNNEYOXCS-UHFFFAOYSA-N 1 2 279.343 3.740 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(Cl)c1 ZINC000255050909 1120317989 /nfs/dbraw/zinc/31/79/89/1120317989.db2.gz RXHXJZOXDWUKHC-FPLPWBNLSA-N 1 2 282.730 3.884 20 30 CHEDLO CC#CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000543245968 1120473473 /nfs/dbraw/zinc/47/34/73/1120473473.db2.gz YDAXCJAXEDXESS-SNVBAGLBSA-N 1 2 284.222 3.671 20 30 CHEDLO CC#CC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000543245968 1120473477 /nfs/dbraw/zinc/47/34/77/1120473477.db2.gz YDAXCJAXEDXESS-SNVBAGLBSA-N 1 2 284.222 3.671 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1conc1CC)c1ccc(F)c(F)c1 ZINC000660313723 1120492808 /nfs/dbraw/zinc/49/28/08/1120492808.db2.gz ZXEZWVAKCIFIAY-MRXNPFEDSA-N 1 2 292.329 3.922 20 30 CHEDLO CC1(C)CCC[N@H+](CCCCC2CCOCC2)[C@@H]1C#N ZINC000499730081 1120492995 /nfs/dbraw/zinc/49/29/95/1120492995.db2.gz BGESHGOLSDZQQZ-MRXNPFEDSA-N 1 2 278.440 3.597 20 30 CHEDLO CC1(C)CCC[N@@H+](CCCCC2CCOCC2)[C@@H]1C#N ZINC000499730081 1120492997 /nfs/dbraw/zinc/49/29/97/1120492997.db2.gz BGESHGOLSDZQQZ-MRXNPFEDSA-N 1 2 278.440 3.597 20 30 CHEDLO CCCCCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000781930349 1120584568 /nfs/dbraw/zinc/58/45/68/1120584568.db2.gz KZPUGPLXVIYWKC-OAHLLOKOSA-N 1 2 293.407 3.524 20 30 CHEDLO CCCCCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000781930349 1120584572 /nfs/dbraw/zinc/58/45/72/1120584572.db2.gz KZPUGPLXVIYWKC-OAHLLOKOSA-N 1 2 293.407 3.524 20 30 CHEDLO C=CCn1cc(-c2cc([NH+](CC)CC)ccc2C)cn1 ZINC001222409303 1120591323 /nfs/dbraw/zinc/59/13/23/1120591323.db2.gz TVLQHHWSCSNIKW-UHFFFAOYSA-N 1 2 269.392 3.891 20 30 CHEDLO COc1ccsc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101131 1120701834 /nfs/dbraw/zinc/70/18/34/1120701834.db2.gz OHMPLZXWGDRFOE-UHFFFAOYSA-N 1 2 266.410 3.518 20 30 CHEDLO COc1ccsc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101131 1120701839 /nfs/dbraw/zinc/70/18/39/1120701839.db2.gz OHMPLZXWGDRFOE-UHFFFAOYSA-N 1 2 266.410 3.518 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000054180630 1120848612 /nfs/dbraw/zinc/84/86/12/1120848612.db2.gz XTMXBZSSNPCFCN-NSHDSACASA-N 1 2 297.383 3.806 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@H](c2ccccc2)O1 ZINC000245570381 1121207123 /nfs/dbraw/zinc/20/71/23/1121207123.db2.gz WXAJEXIGTFALEK-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](c2ccccc2)O1 ZINC000245570381 1121207125 /nfs/dbraw/zinc/20/71/25/1121207125.db2.gz WXAJEXIGTFALEK-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C=CC[N@H+](Cc1nc(Cl)ccc1Cl)C(C)C ZINC000766110006 1121265124 /nfs/dbraw/zinc/26/51/24/1121265124.db2.gz PDFHZWUEMBYGBR-UHFFFAOYSA-N 1 2 259.180 3.785 20 30 CHEDLO C=CC[N@@H+](Cc1nc(Cl)ccc1Cl)C(C)C ZINC000766110006 1121265127 /nfs/dbraw/zinc/26/51/27/1121265127.db2.gz PDFHZWUEMBYGBR-UHFFFAOYSA-N 1 2 259.180 3.785 20 30 CHEDLO C=CCc1cccc(C[N@@H+]2CCCCC(F)(F)C2)c1O ZINC001138625305 1128974691 /nfs/dbraw/zinc/97/46/91/1128974691.db2.gz IYZRVKUWXIBPSW-UHFFFAOYSA-N 1 2 281.346 3.742 20 30 CHEDLO C=CCc1cccc(C[N@H+]2CCCCC(F)(F)C2)c1O ZINC001138625305 1128974693 /nfs/dbraw/zinc/97/46/93/1128974693.db2.gz IYZRVKUWXIBPSW-UHFFFAOYSA-N 1 2 281.346 3.742 20 30 CHEDLO N#CCc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC001175352416 1121292966 /nfs/dbraw/zinc/29/29/66/1121292966.db2.gz IYRQWJMVVZZFII-UHFFFAOYSA-N 1 2 296.349 3.631 20 30 CHEDLO C#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1F ZINC001175713801 1121435355 /nfs/dbraw/zinc/43/53/55/1121435355.db2.gz MRLPUKXVUDJVGA-UHFFFAOYSA-N 1 2 295.239 3.547 20 30 CHEDLO Fc1ccc(C#CC[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000676627084 1121450704 /nfs/dbraw/zinc/45/07/04/1121450704.db2.gz MNGYGSFOGIHIMI-SFHVURJKSA-N 1 2 283.321 3.763 20 30 CHEDLO Fc1ccc(C#CC[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000676627084 1121450708 /nfs/dbraw/zinc/45/07/08/1121450708.db2.gz MNGYGSFOGIHIMI-SFHVURJKSA-N 1 2 283.321 3.763 20 30 CHEDLO CCc1cccc(F)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000619428765 1128990950 /nfs/dbraw/zinc/99/09/50/1128990950.db2.gz HAAUCRBXELMZJZ-MRXNPFEDSA-N 1 2 260.356 3.514 20 30 CHEDLO CCc1cccc(F)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000619428765 1128990951 /nfs/dbraw/zinc/99/09/51/1128990951.db2.gz HAAUCRBXELMZJZ-MRXNPFEDSA-N 1 2 260.356 3.514 20 30 CHEDLO C=CC[N@H+](Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000543619365 1121527532 /nfs/dbraw/zinc/52/75/32/1121527532.db2.gz NCUZBHZLTUYFMR-UHFFFAOYSA-N 1 2 270.401 3.961 20 30 CHEDLO C=CC[N@@H+](Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000543619365 1121527537 /nfs/dbraw/zinc/52/75/37/1121527537.db2.gz NCUZBHZLTUYFMR-UHFFFAOYSA-N 1 2 270.401 3.961 20 30 CHEDLO COc1cc[nH+]cc1Nc1cc(C(F)(F)F)ccc1C#N ZINC001176123212 1121559533 /nfs/dbraw/zinc/55/95/33/1121559533.db2.gz QBXCFSSJHWXJBW-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO Cc1cc2cc(C[N@@H+](C)C[C@@H](C)C#N)oc2cc1C ZINC000509790838 1121579649 /nfs/dbraw/zinc/57/96/49/1121579649.db2.gz YCSGCLGOUMDLTR-NSHDSACASA-N 1 2 256.349 3.641 20 30 CHEDLO Cc1cc2cc(C[N@H+](C)C[C@@H](C)C#N)oc2cc1C ZINC000509790838 1121579651 /nfs/dbraw/zinc/57/96/51/1121579651.db2.gz YCSGCLGOUMDLTR-NSHDSACASA-N 1 2 256.349 3.641 20 30 CHEDLO Cc1cc2cc(C[N@@H+](C)C[C@H](C)C#N)oc2cc1C ZINC000509790836 1121580467 /nfs/dbraw/zinc/58/04/67/1121580467.db2.gz YCSGCLGOUMDLTR-LLVKDONJSA-N 1 2 256.349 3.641 20 30 CHEDLO Cc1cc2cc(C[N@H+](C)C[C@H](C)C#N)oc2cc1C ZINC000509790836 1121580468 /nfs/dbraw/zinc/58/04/68/1121580468.db2.gz YCSGCLGOUMDLTR-LLVKDONJSA-N 1 2 256.349 3.641 20 30 CHEDLO C=CCCCCC[N@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC001176334451 1121599106 /nfs/dbraw/zinc/59/91/06/1121599106.db2.gz JRSHVHXUMLFCQX-INIZCTEOSA-N 1 2 293.407 3.546 20 30 CHEDLO C=CCCCCC[N@@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC001176334451 1121599111 /nfs/dbraw/zinc/59/91/11/1121599111.db2.gz JRSHVHXUMLFCQX-INIZCTEOSA-N 1 2 293.407 3.546 20 30 CHEDLO C=CCn1cc(Nc2ccc3c(C)cc[nH+]c3c2)cn1 ZINC001176549947 1121651704 /nfs/dbraw/zinc/65/17/04/1121651704.db2.gz ASGSVKUGRWMLTM-UHFFFAOYSA-N 1 2 264.332 3.669 20 30 CHEDLO COc1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)ccc1C#N ZINC000619674474 1129003421 /nfs/dbraw/zinc/00/34/21/1129003421.db2.gz DXNCBUWLHKYSGZ-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)ccc1C#N ZINC000619674474 1129003425 /nfs/dbraw/zinc/00/34/25/1129003425.db2.gz DXNCBUWLHKYSGZ-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H]1CCC(F)(F)C[N@@H+]1CCCCC(C)(C)C#N ZINC001176897182 1121702641 /nfs/dbraw/zinc/70/26/41/1121702641.db2.gz KJWUOODPKGEAEZ-LBPRGKRZSA-N 1 2 258.356 3.826 20 30 CHEDLO C[C@H]1CCC(F)(F)C[N@H+]1CCCCC(C)(C)C#N ZINC001176897182 1121702646 /nfs/dbraw/zinc/70/26/46/1121702646.db2.gz KJWUOODPKGEAEZ-LBPRGKRZSA-N 1 2 258.356 3.826 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000025436308 1121709579 /nfs/dbraw/zinc/70/95/79/1121709579.db2.gz SMNWUGQHOOLDBD-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000025436308 1121709586 /nfs/dbraw/zinc/70/95/86/1121709586.db2.gz SMNWUGQHOOLDBD-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+](CC(F)F)CC1CCC1 ZINC000614403406 1121711116 /nfs/dbraw/zinc/71/11/16/1121711116.db2.gz WXNLMALBBIKWBF-UHFFFAOYSA-N 1 2 278.346 3.734 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+](CC(F)F)CC1CCC1 ZINC000614403406 1121711124 /nfs/dbraw/zinc/71/11/24/1121711124.db2.gz WXNLMALBBIKWBF-UHFFFAOYSA-N 1 2 278.346 3.734 20 30 CHEDLO CC[C@@H](Cc1ccccc1)/[NH+]=C/c1ccccc1O ZINC000727781525 1121740220 /nfs/dbraw/zinc/74/02/20/1121740220.db2.gz PDSSSDKHPPGGIV-HZGBGQKMSA-N 1 2 253.345 3.832 20 30 CHEDLO CC[C@H](Cc1ccccc1)/[NH+]=C/c1ccccc1O ZINC000727781518 1121740367 /nfs/dbraw/zinc/74/03/67/1121740367.db2.gz PDSSSDKHPPGGIV-APVMCDBPSA-N 1 2 253.345 3.832 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCc2sccc2C1 ZINC000730430949 1121808218 /nfs/dbraw/zinc/80/82/18/1121808218.db2.gz VEVSESDCTHTCRE-UHFFFAOYSA-N 1 2 286.375 3.707 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCc2sccc2C1 ZINC000730430949 1121808224 /nfs/dbraw/zinc/80/82/24/1121808224.db2.gz VEVSESDCTHTCRE-UHFFFAOYSA-N 1 2 286.375 3.707 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000345919544 1121929274 /nfs/dbraw/zinc/92/92/74/1121929274.db2.gz GXCODVLERPTFHY-CQSZACIVSA-N 1 2 274.408 3.597 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000345919544 1121929283 /nfs/dbraw/zinc/92/92/83/1121929283.db2.gz GXCODVLERPTFHY-CQSZACIVSA-N 1 2 274.408 3.597 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000501543011 1121986590 /nfs/dbraw/zinc/98/65/90/1121986590.db2.gz SQZNNFQAJRAYNM-LBPRGKRZSA-N 1 2 292.785 3.790 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000501543011 1121986598 /nfs/dbraw/zinc/98/65/98/1121986598.db2.gz SQZNNFQAJRAYNM-LBPRGKRZSA-N 1 2 292.785 3.790 20 30 CHEDLO CCC(CC)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000774474268 1122167770 /nfs/dbraw/zinc/16/77/70/1122167770.db2.gz XXEKZPCUAQPCQS-UHFFFAOYSA-N 1 2 277.412 3.630 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1ccc(C)[nH+]c1C ZINC001203373221 1122176705 /nfs/dbraw/zinc/17/67/05/1122176705.db2.gz JKLJQSMVFUBDCY-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO C#CCSCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001185450505 1122341931 /nfs/dbraw/zinc/34/19/31/1122341931.db2.gz IQYNYVAMMPJFTN-UHFFFAOYSA-N 1 2 277.437 3.502 20 30 CHEDLO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000775152509 1122446006 /nfs/dbraw/zinc/44/60/06/1122446006.db2.gz NHZDXKUMDSEOTM-WDEREUQCSA-N 1 2 298.224 3.845 20 30 CHEDLO CCOc1cc(Nc2cc(F)c(C#N)c(F)c2)cc(C)[nH+]1 ZINC001203674144 1122451348 /nfs/dbraw/zinc/45/13/48/1122451348.db2.gz MUVSDAYQZUKGBU-UHFFFAOYSA-N 1 2 289.285 3.682 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC000157806289 1122591187 /nfs/dbraw/zinc/59/11/87/1122591187.db2.gz YTENOWRDBYSBEM-UHFFFAOYSA-N 1 2 274.311 3.644 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC000157806289 1122591191 /nfs/dbraw/zinc/59/11/91/1122591191.db2.gz YTENOWRDBYSBEM-UHFFFAOYSA-N 1 2 274.311 3.644 20 30 CHEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccoc1 ZINC000426401519 1122784825 /nfs/dbraw/zinc/78/48/25/1122784825.db2.gz AEQLYGXAGBWULK-UHFFFAOYSA-N 1 2 293.288 3.782 20 30 CHEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccoc1 ZINC000426401519 1122784828 /nfs/dbraw/zinc/78/48/28/1122784828.db2.gz AEQLYGXAGBWULK-UHFFFAOYSA-N 1 2 293.288 3.782 20 30 CHEDLO CC[C@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H](CC)O1 ZINC001195298658 1122862088 /nfs/dbraw/zinc/86/20/88/1122862088.db2.gz GESYBIZKLPRDIN-IRXDYDNUSA-N 1 2 291.822 3.581 20 30 CHEDLO C#CCCCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC001195558796 1122877362 /nfs/dbraw/zinc/87/73/62/1122877362.db2.gz QRFOLBRRFLSBOI-UHFFFAOYSA-N 1 2 263.331 3.864 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(Oc2ccccc2)c1 ZINC001203812278 1122880743 /nfs/dbraw/zinc/88/07/43/1122880743.db2.gz RVWHFZZXTBVZDC-UHFFFAOYSA-N 1 2 266.344 3.824 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(Oc2ccccc2)c1 ZINC001203812278 1122880753 /nfs/dbraw/zinc/88/07/53/1122880753.db2.gz RVWHFZZXTBVZDC-UHFFFAOYSA-N 1 2 266.344 3.824 20 30 CHEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](CC)CO1 ZINC001195863301 1122894836 /nfs/dbraw/zinc/89/48/36/1122894836.db2.gz RFXRQOCVIQTJRM-DLBZAZTESA-N 1 2 291.822 3.581 20 30 CHEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](CC)CO1 ZINC001195863301 1122894842 /nfs/dbraw/zinc/89/48/42/1122894842.db2.gz RFXRQOCVIQTJRM-DLBZAZTESA-N 1 2 291.822 3.581 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000506937578 1122915202 /nfs/dbraw/zinc/91/52/02/1122915202.db2.gz BREDVUQDISAYCI-NSHDSACASA-N 1 2 268.813 3.524 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000506937578 1122915206 /nfs/dbraw/zinc/91/52/06/1122915206.db2.gz BREDVUQDISAYCI-NSHDSACASA-N 1 2 268.813 3.524 20 30 CHEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000507178591 1122933403 /nfs/dbraw/zinc/93/34/03/1122933403.db2.gz LWAHNLAYBKXYAH-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC001198526433 1122996068 /nfs/dbraw/zinc/99/60/68/1122996068.db2.gz SUXYPRDSXYUMAQ-OAHLLOKOSA-N 1 2 280.371 3.638 20 30 CHEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC001198526433 1122996069 /nfs/dbraw/zinc/99/60/69/1122996069.db2.gz SUXYPRDSXYUMAQ-OAHLLOKOSA-N 1 2 280.371 3.638 20 30 CHEDLO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc(N)[nH+]c1 ZINC001201286928 1123082445 /nfs/dbraw/zinc/08/24/45/1123082445.db2.gz IIMBEXLTULHGAV-UHFFFAOYSA-N 1 2 279.130 3.586 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178940829 1123123719 /nfs/dbraw/zinc/12/37/19/1123123719.db2.gz FMQNDHUPJGYPKG-MDZDMXLPSA-N 1 2 262.312 3.539 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cc(C#N)ccc1OC ZINC001201585165 1123128571 /nfs/dbraw/zinc/12/85/71/1123128571.db2.gz CVDJUNSRDXOJHG-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO CCCCCCC[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201761749 1123148176 /nfs/dbraw/zinc/14/81/76/1123148176.db2.gz QTENYKDSDQLZIL-GFCCVEGCSA-N 1 2 251.336 3.884 20 30 CHEDLO CCCCCCC[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201761749 1123148171 /nfs/dbraw/zinc/14/81/71/1123148171.db2.gz QTENYKDSDQLZIL-GFCCVEGCSA-N 1 2 251.336 3.884 20 30 CHEDLO Cc1[nH]c(CNc2ccc(OC(C)(C)C)c(C#N)c2)[nH+]c1C ZINC000850322876 1123253374 /nfs/dbraw/zinc/25/33/74/1123253374.db2.gz KPPFRGSFYLSOGI-UHFFFAOYSA-N 1 2 298.390 3.688 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccnc1Cl ZINC000850549393 1123288758 /nfs/dbraw/zinc/28/87/58/1123288758.db2.gz GKMHVHJEEIHQEH-GFCCVEGCSA-N 1 2 277.799 3.860 20 30 CHEDLO CC1(C#N)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335484802 1123377205 /nfs/dbraw/zinc/37/72/05/1123377205.db2.gz VNFOOLWQBSFGEV-UHFFFAOYSA-N 1 2 269.323 3.504 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC=C(Cl)Cl ZINC000852192143 1123399149 /nfs/dbraw/zinc/39/91/49/1123399149.db2.gz PEKPXANZZXVQTG-SNVBAGLBSA-N 1 2 269.175 3.870 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC=C(Cl)Cl ZINC000852192143 1123399154 /nfs/dbraw/zinc/39/91/54/1123399154.db2.gz PEKPXANZZXVQTG-SNVBAGLBSA-N 1 2 269.175 3.870 20 30 CHEDLO NC(=[NH+]OC/C=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000852300114 1123402593 /nfs/dbraw/zinc/40/25/93/1123402593.db2.gz LKELUMSLXKAONC-DAXSKMNVSA-N 1 2 286.762 3.690 20 30 CHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000852324137 1123403193 /nfs/dbraw/zinc/40/31/93/1123403193.db2.gz PWOGHVWAQUBYBE-UHFFFAOYSA-N 1 2 284.334 3.670 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729545001 1123498029 /nfs/dbraw/zinc/49/80/29/1123498029.db2.gz PKGGTWYWVBKLSL-LBPRGKRZSA-N 1 2 284.172 3.524 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729545001 1123498032 /nfs/dbraw/zinc/49/80/32/1123498032.db2.gz PKGGTWYWVBKLSL-LBPRGKRZSA-N 1 2 284.172 3.524 20 30 CHEDLO CCCCCCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896926600 1123786138 /nfs/dbraw/zinc/78/61/38/1123786138.db2.gz FVLCTHHXTVEULB-UHFFFAOYSA-N 1 2 279.428 3.783 20 30 CHEDLO NC(=[NH+]OCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000020887323 1123857177 /nfs/dbraw/zinc/85/71/77/1123857177.db2.gz IDXGKFYWVOQZHZ-UHFFFAOYSA-N 1 2 295.169 3.831 20 30 CHEDLO CCc1cccc(F)c1C=NNc1cc[nH+]c2ccccc12 ZINC000794507894 1123859811 /nfs/dbraw/zinc/85/98/11/1123859811.db2.gz PDVNUCIOUVRYEO-UHFFFAOYSA-N 1 2 293.345 3.804 20 30 CHEDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(OCC#N)cc1 ZINC000192962581 1123867905 /nfs/dbraw/zinc/86/79/05/1123867905.db2.gz NKZFLLYKDGMOEM-CQSZACIVSA-N 1 2 295.386 3.828 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1cccc(C#N)c1O ZINC000866295537 1124047937 /nfs/dbraw/zinc/04/79/37/1124047937.db2.gz FFCVWXJHULBZIR-VBHSOAQHSA-N 1 2 292.382 3.848 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1cccc(C#N)c1O ZINC000866295536 1124048015 /nfs/dbraw/zinc/04/80/15/1124048015.db2.gz FFCVWXJHULBZIR-LXIYXOSZSA-N 1 2 292.382 3.848 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1cccc(C#N)c1O ZINC000866295535 1124048179 /nfs/dbraw/zinc/04/81/79/1124048179.db2.gz FFCVWXJHULBZIR-FHSNZYRGSA-N 1 2 292.382 3.848 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 ZINC000447924822 1124546475 /nfs/dbraw/zinc/54/64/75/1124546475.db2.gz XOAUIRBNNYMWJK-XDNAFOTISA-N 1 2 290.451 3.740 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)C1 ZINC000447924822 1124546480 /nfs/dbraw/zinc/54/64/80/1124546480.db2.gz XOAUIRBNNYMWJK-XDNAFOTISA-N 1 2 290.451 3.740 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 ZINC000447924823 1124547667 /nfs/dbraw/zinc/54/76/67/1124547667.db2.gz XOAUIRBNNYMWJK-XMTFNYHQSA-N 1 2 290.451 3.740 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)C1 ZINC000447924823 1124547675 /nfs/dbraw/zinc/54/76/75/1124547675.db2.gz XOAUIRBNNYMWJK-XMTFNYHQSA-N 1 2 290.451 3.740 20 30 CHEDLO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000872139070 1124694930 /nfs/dbraw/zinc/69/49/30/1124694930.db2.gz DZULWHYPOVXQES-GVXVVHGQSA-N 1 2 279.330 3.513 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876690839 1124971467 /nfs/dbraw/zinc/97/14/67/1124971467.db2.gz SOPBRBZWOCYKHT-ZDUSSCGKSA-N 1 2 260.381 3.598 20 30 CHEDLO N#CC1(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)CCC1 ZINC000450672602 1125083459 /nfs/dbraw/zinc/08/34/59/1125083459.db2.gz HYTWSLBDBIZTMU-ZDUSSCGKSA-N 1 2 282.309 3.964 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1Cl ZINC000450674808 1125088694 /nfs/dbraw/zinc/08/86/94/1125088694.db2.gz SWYJXMORLNRSEC-SNVBAGLBSA-N 1 2 266.747 3.824 20 30 CHEDLO N#CCC[N@@H+](CC[C@H]1CCCC1(F)F)Cc1ccccn1 ZINC000878167630 1125127815 /nfs/dbraw/zinc/12/78/15/1125127815.db2.gz HQIBCSICMRVBFI-CQSZACIVSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@H+](CC[C@H]1CCCC1(F)F)Cc1ccccn1 ZINC000878167630 1125127818 /nfs/dbraw/zinc/12/78/18/1125127818.db2.gz HQIBCSICMRVBFI-CQSZACIVSA-N 1 2 293.361 3.623 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(OC)cc1C#N ZINC001212782720 1125175661 /nfs/dbraw/zinc/17/56/61/1125175661.db2.gz OWUJZOGCNHVAAP-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO C=CC(C)(C)CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000879840896 1125236440 /nfs/dbraw/zinc/23/64/40/1125236440.db2.gz FNEKCXXLWMCGRL-UHFFFAOYSA-N 1 2 283.375 3.926 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577301 1125280160 /nfs/dbraw/zinc/28/01/60/1125280160.db2.gz IRQDSFFQOQWDJG-RBUKOAKNSA-N 1 2 298.430 3.780 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577301 1125280166 /nfs/dbraw/zinc/28/01/66/1125280166.db2.gz IRQDSFFQOQWDJG-RBUKOAKNSA-N 1 2 298.430 3.780 20 30 CHEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)c(F)c2)c[nH+]c1C ZINC000883342114 1125398335 /nfs/dbraw/zinc/39/83/35/1125398335.db2.gz KXCKTOCBCCGKTB-LBPRGKRZSA-N 1 2 269.323 3.882 20 30 CHEDLO Cc1ccc2c(Nc3cnccc3C#N)cccc2[nH+]1 ZINC001212795028 1125416356 /nfs/dbraw/zinc/41/63/56/1125416356.db2.gz KITZQFLAEQYCPD-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000124296275 1125436074 /nfs/dbraw/zinc/43/60/74/1125436074.db2.gz VHWXELJBIRNWMG-UHFFFAOYSA-N 1 2 281.359 3.579 20 30 CHEDLO CCCC[N@H+](CC#N)[C@H](C)CCc1ccc(OC)cc1 ZINC001258408748 1129325490 /nfs/dbraw/zinc/32/54/90/1129325490.db2.gz MVHOKPXFTHHYNW-OAHLLOKOSA-N 1 2 274.408 3.642 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@H](C)CCc1ccc(OC)cc1 ZINC001258408748 1129325493 /nfs/dbraw/zinc/32/54/93/1129325493.db2.gz MVHOKPXFTHHYNW-OAHLLOKOSA-N 1 2 274.408 3.642 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1sccc1OC ZINC000093100991 1129417180 /nfs/dbraw/zinc/41/71/80/1129417180.db2.gz YGASKJWGSOJIMH-UHFFFAOYSA-N 1 2 280.437 3.909 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1sccc1OC ZINC000093100991 1129417179 /nfs/dbraw/zinc/41/71/79/1129417179.db2.gz YGASKJWGSOJIMH-UHFFFAOYSA-N 1 2 280.437 3.909 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C\c1c[nH+]c3c(C)cccn13)C2=O ZINC000741467509 1129436723 /nfs/dbraw/zinc/43/67/23/1129436723.db2.gz MPDFXJAEOLXXKT-XNTDXEJSSA-N 1 2 288.350 3.774 20 30 CHEDLO C#CC[N@@H+](Cc1nc(-c2ccc(C)cc2)cs1)C1CC1 ZINC000796004964 1129462131 /nfs/dbraw/zinc/46/21/31/1129462131.db2.gz LSGMWWDZZKUWSP-UHFFFAOYSA-N 1 2 282.412 3.716 20 30 CHEDLO C#CC[N@H+](Cc1nc(-c2ccc(C)cc2)cs1)C1CC1 ZINC000796004964 1129462135 /nfs/dbraw/zinc/46/21/35/1129462135.db2.gz LSGMWWDZZKUWSP-UHFFFAOYSA-N 1 2 282.412 3.716 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nc2ccccc2s1 ZINC000742370916 1129474742 /nfs/dbraw/zinc/47/47/42/1129474742.db2.gz ALCMJWFTDKKHPC-SNVBAGLBSA-N 1 2 283.356 3.612 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000743450008 1129525279 /nfs/dbraw/zinc/52/52/79/1129525279.db2.gz KGCPUXNJDFKUPY-UHFFFAOYSA-N 1 2 288.782 3.637 20 30 CHEDLO COc1ccc(C(C)(C)C/[NH+]=C\c2ccccc2O)cc1 ZINC000745626074 1129610690 /nfs/dbraw/zinc/61/06/90/1129610690.db2.gz IHHHIBZJTKEYJH-UNOMPAQXSA-N 1 2 283.371 3.798 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@@H](C3CCC3)C(F)(F)F)c2)CC1 ZINC001169287879 1129715550 /nfs/dbraw/zinc/71/55/50/1129715550.db2.gz VWZHOTMDHMEGEX-ZDUSSCGKSA-N 1 2 295.308 3.780 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000766666368 1129719270 /nfs/dbraw/zinc/71/92/70/1129719270.db2.gz QYUJHDDYQCBJMW-VIFPVBQESA-N 1 2 280.780 3.528 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000766666368 1129719273 /nfs/dbraw/zinc/71/92/73/1129719273.db2.gz QYUJHDDYQCBJMW-VIFPVBQESA-N 1 2 280.780 3.528 20 30 CHEDLO CCc1ccc(C)[nH+]c1Nc1ccccc1OCC#N ZINC001212595438 1129757519 /nfs/dbraw/zinc/75/75/19/1129757519.db2.gz UGMFAHBGJONBEI-UHFFFAOYSA-N 1 2 267.332 3.598 20 30 CHEDLO Cc1[nH+]cc(CN(CCC#N)CC(C)C)n1-c1ccccc1 ZINC000768153465 1129835674 /nfs/dbraw/zinc/83/56/74/1129835674.db2.gz GPVFZZDTUINZOZ-UHFFFAOYSA-N 1 2 296.418 3.552 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(C(C)C)s1 ZINC000768155237 1129836201 /nfs/dbraw/zinc/83/62/01/1129836201.db2.gz XDJUCZQHOVQORV-UHFFFAOYSA-N 1 2 265.426 3.638 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(C(C)C)s1 ZINC000768155237 1129836205 /nfs/dbraw/zinc/83/62/05/1129836205.db2.gz XDJUCZQHOVQORV-UHFFFAOYSA-N 1 2 265.426 3.638 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(C(C)(C)C)s1 ZINC000768153249 1129836744 /nfs/dbraw/zinc/83/67/44/1129836744.db2.gz BKWYMPIFNMPDBJ-UHFFFAOYSA-N 1 2 279.453 3.812 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(C(C)(C)C)s1 ZINC000768153249 1129836749 /nfs/dbraw/zinc/83/67/49/1129836749.db2.gz BKWYMPIFNMPDBJ-UHFFFAOYSA-N 1 2 279.453 3.812 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000768878244 1129879914 /nfs/dbraw/zinc/87/99/14/1129879914.db2.gz QEOLJCMXVGOPAO-SNVBAGLBSA-N 1 2 288.338 3.890 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000768878244 1129879918 /nfs/dbraw/zinc/87/99/18/1129879918.db2.gz QEOLJCMXVGOPAO-SNVBAGLBSA-N 1 2 288.338 3.890 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(C#N)c1 ZINC001137704898 1131404425 /nfs/dbraw/zinc/40/44/25/1131404425.db2.gz YXVCPOKQHYDLRM-GOSISDBHSA-N 1 2 278.355 3.514 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(C#N)c1 ZINC001137704898 1131404429 /nfs/dbraw/zinc/40/44/29/1131404429.db2.gz YXVCPOKQHYDLRM-GOSISDBHSA-N 1 2 278.355 3.514 20 30 CHEDLO O=C1c2cc(Cl)ccc2O/C1=C\c1cccc2[nH+]ccn21 ZINC000769610726 1129919281 /nfs/dbraw/zinc/91/92/81/1129919281.db2.gz SWRZOOORUFCQGD-ZROIWOOFSA-N 1 2 296.713 3.604 20 30 CHEDLO O=C1c2ccccc2CCC/C1=C\c1cccc2[nH+]ccn21 ZINC000769602657 1129919375 /nfs/dbraw/zinc/91/93/75/1129919375.db2.gz OKJAARNAWBNTMN-FYWRMAATSA-N 1 2 288.350 3.937 20 30 CHEDLO O=C1c2cc(Cl)ccc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769614186 1129919762 /nfs/dbraw/zinc/91/97/62/1129919762.db2.gz ISRBECXQCNTYPC-FMIVXFBMSA-N 1 2 294.741 3.810 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCOc2ccccc2C1=O ZINC000901472613 1129927998 /nfs/dbraw/zinc/92/79/98/1129927998.db2.gz OKWGTLVIMCTRKA-LCYFTJDESA-N 1 2 282.343 3.513 20 30 CHEDLO CCSc1ccc(C(=O)/C=C\c2c[nH+]cn2CC)cc1 ZINC000901486569 1129929392 /nfs/dbraw/zinc/92/93/92/1129929392.db2.gz LWTFFALJMUMLLO-YFHOEESVSA-N 1 2 286.400 3.911 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2cccc(C)c2[C@H]1C ZINC000901489034 1129930219 /nfs/dbraw/zinc/93/02/19/1129930219.db2.gz LXEQIGIVMTZTAH-AAWHYMEISA-N 1 2 266.344 3.595 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2cccc(C)c2[C@@H]1C ZINC000901489035 1129930492 /nfs/dbraw/zinc/93/04/92/1129930492.db2.gz LXEQIGIVMTZTAH-AZZDOICSSA-N 1 2 266.344 3.595 20 30 CHEDLO C=C(Br)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000801602499 1129931530 /nfs/dbraw/zinc/93/15/30/1129931530.db2.gz KYSWKHDFLSRXQA-UHFFFAOYSA-N 1 2 282.181 3.667 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000801602499 1129931528 /nfs/dbraw/zinc/93/15/28/1129931528.db2.gz KYSWKHDFLSRXQA-UHFFFAOYSA-N 1 2 282.181 3.667 20 30 CHEDLO Cc1[nH]c(/C=C2/C[C@H](C)c3ccsc3C2=O)[nH+]c1C ZINC000901516714 1129933569 /nfs/dbraw/zinc/93/35/69/1129933569.db2.gz FZFKXJIOLFXXGN-CLUBXZQOSA-N 1 2 272.373 3.862 20 30 CHEDLO Cc1cc2c(c(C)c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)C2 ZINC000901531781 1129933946 /nfs/dbraw/zinc/93/39/46/1129933946.db2.gz NAQRZXQZALPNHT-OVCLIPMQSA-N 1 2 280.371 3.903 20 30 CHEDLO C[C@@H]1C[C@H](C/[NH+]=C\c2c(O)ccc3ccccc32)CCO1 ZINC000770569170 1129951274 /nfs/dbraw/zinc/95/12/74/1129951274.db2.gz RGBKVTNSLIDZFN-ITTZRFAVSA-N 1 2 283.371 3.779 20 30 CHEDLO C=CC[N@H+](Cn1ccn(Cc2ccccc2)c1=S)C1CC1 ZINC000771638697 1129987048 /nfs/dbraw/zinc/98/70/48/1129987048.db2.gz DPBDWAGZSYQHBH-UHFFFAOYSA-N 1 2 299.443 3.675 20 30 CHEDLO C=CC[N@@H+](Cn1ccn(Cc2ccccc2)c1=S)C1CC1 ZINC000771638697 1129987050 /nfs/dbraw/zinc/98/70/50/1129987050.db2.gz DPBDWAGZSYQHBH-UHFFFAOYSA-N 1 2 299.443 3.675 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cn(CC)cn1)c1ccc(F)c(F)c1 ZINC000902489392 1130017112 /nfs/dbraw/zinc/01/71/12/1130017112.db2.gz PTHKBYUKPBBKEU-MRXNPFEDSA-N 1 2 291.345 3.588 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785998821 1130073060 /nfs/dbraw/zinc/07/30/60/1130073060.db2.gz OCVGFBVEKFEYOV-GFCCVEGCSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785998821 1130073067 /nfs/dbraw/zinc/07/30/67/1130073067.db2.gz OCVGFBVEKFEYOV-GFCCVEGCSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902871410 1130076999 /nfs/dbraw/zinc/07/69/99/1130076999.db2.gz NTTAEVDUJJCSRB-QMMMGPOBSA-N 1 2 264.678 3.504 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000903105974 1130113437 /nfs/dbraw/zinc/11/34/37/1130113437.db2.gz JUCWYZNNXLQTJQ-CQSZACIVSA-N 1 2 293.370 3.828 20 30 CHEDLO N#Cc1c(F)cc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001239927236 1130154970 /nfs/dbraw/zinc/15/49/70/1130154970.db2.gz BKRWYUWGYVMWCT-UHFFFAOYSA-N 1 2 295.292 3.748 20 30 CHEDLO O=C1c2cc(Cl)ccc2SCC/C1=C/c1[nH]cc[nH+]1 ZINC000748441627 1130233130 /nfs/dbraw/zinc/23/31/30/1130233130.db2.gz LQFIDFCZHGSGKW-CLFYSBASSA-N 1 2 290.775 3.825 20 30 CHEDLO N#Cc1ccc(-c2ccccc2)nc1-c1ccc2[nH+]ccn2c1 ZINC001240214289 1130234102 /nfs/dbraw/zinc/23/41/02/1130234102.db2.gz NOQDIOGKKUUIFC-UHFFFAOYSA-N 1 2 296.333 3.935 20 30 CHEDLO CCO[C@H](CC/[NH+]=C\c1cccc(O)c1O)C1CCCC1 ZINC000746817110 1130252379 /nfs/dbraw/zinc/25/23/79/1130252379.db2.gz WARMCCGGCODSBI-UWCCDQBKSA-N 1 2 291.391 3.502 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3cccc(C)n13)C2 ZINC000749005225 1130257035 /nfs/dbraw/zinc/25/70/35/1130257035.db2.gz IZUCOTFOTKDKJT-XNTDXEJSSA-N 1 2 288.350 3.774 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(F)cc3F)n21 ZINC000748997195 1130259165 /nfs/dbraw/zinc/25/91/65/1130259165.db2.gz AQKFDMILKRIQLM-VURMDHGXSA-N 1 2 298.292 3.817 20 30 CHEDLO Cc1cccc2c1C/C(=C\c1c[nH+]c3cccc(C)n13)C2=O ZINC000748997141 1130259489 /nfs/dbraw/zinc/25/94/89/1130259489.db2.gz GIQXEZPLAZKYSK-NTEUORMPSA-N 1 2 288.350 3.774 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)c1 ZINC000749000397 1130259503 /nfs/dbraw/zinc/25/95/03/1130259503.db2.gz YBUZQTVRQWYQHT-MDZDMXLPSA-N 1 2 276.339 3.847 20 30 CHEDLO Cn1cc[nH+]c1NN=Cc1cccc(Oc2ccccc2)c1 ZINC000790299391 1130309103 /nfs/dbraw/zinc/30/91/03/1130309103.db2.gz DKDFWWDDLKGUOW-UHFFFAOYSA-N 1 2 292.342 3.658 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc3[nH]ccc32)cc1C#N ZINC001240712165 1130432891 /nfs/dbraw/zinc/43/28/91/1130432891.db2.gz AFUXZUOFKKUYNK-CIAFOILYSA-N 1 2 288.354 3.928 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3cc[nH]c3c2)cc1C#N ZINC001240798766 1130478725 /nfs/dbraw/zinc/47/87/25/1130478725.db2.gz XYXAQKROECREEZ-CIAFOILYSA-N 1 2 288.354 3.928 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2ccccc2)c1O ZINC000005290305 1130551476 /nfs/dbraw/zinc/55/14/76/1130551476.db2.gz CIGUGPMEGSWEDY-HTMJNSLASA-N 1 2 269.344 3.623 20 30 CHEDLO CC(=[NH+]Nc1cc(C)ccc1F)c1ccc(N)cc1C ZINC000758119077 1130598594 /nfs/dbraw/zinc/59/85/94/1130598594.db2.gz SKBZRXHRKJRATN-UHFFFAOYSA-N 1 2 271.339 3.861 20 30 CHEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1C)c1ccc(N)cc1C ZINC000758120641 1130598809 /nfs/dbraw/zinc/59/88/09/1130598809.db2.gz OREYSPRNGBXJBG-UHFFFAOYSA-N 1 2 298.346 3.630 20 30 CHEDLO C#C[C@H](Oc1ccc(C(=[NH2+])OCC)cc1)c1ccccc1 ZINC001234588909 1130659440 /nfs/dbraw/zinc/65/94/40/1130659440.db2.gz TZSABPKPSKQQOO-KRWDZBQOSA-N 1 2 279.339 3.802 20 30 CHEDLO CC(=[NH+]OC1CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000812235400 1130676173 /nfs/dbraw/zinc/67/61/73/1130676173.db2.gz FXZSBYREWFIGHU-UHFFFAOYSA-N 1 2 273.163 3.869 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(SC(F)(F)F)c1 ZINC000781336257 1130715399 /nfs/dbraw/zinc/71/53/99/1130715399.db2.gz RHCRVHDPEGNJMN-UHFFFAOYSA-N 1 2 274.311 3.644 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(SC(F)(F)F)c1 ZINC000781336257 1130715404 /nfs/dbraw/zinc/71/54/04/1130715404.db2.gz RHCRVHDPEGNJMN-UHFFFAOYSA-N 1 2 274.311 3.644 20 30 CHEDLO N#CCOc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001212607280 1130726163 /nfs/dbraw/zinc/72/61/63/1130726163.db2.gz VMBKBAAANCHEFJ-UHFFFAOYSA-N 1 2 298.733 3.634 20 30 CHEDLO C#CC[N@@H+](Cc1cc(C)cnc1F)[C@@H]1CCc2ccccc21 ZINC001235338965 1130734089 /nfs/dbraw/zinc/73/40/89/1130734089.db2.gz LUPCGLABWKVDLH-GOSISDBHSA-N 1 2 294.373 3.652 20 30 CHEDLO C#CC[N@H+](Cc1cc(C)cnc1F)[C@@H]1CCc2ccccc21 ZINC001235338965 1130734096 /nfs/dbraw/zinc/73/40/96/1130734096.db2.gz LUPCGLABWKVDLH-GOSISDBHSA-N 1 2 294.373 3.652 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccs1 ZINC000783697513 1130847744 /nfs/dbraw/zinc/84/77/44/1130847744.db2.gz RHBNIIDOLCKBNC-ONEGZZNKSA-N 1 2 286.381 3.891 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)c(Cl)c2)C1 ZINC001236660664 1130990675 /nfs/dbraw/zinc/99/06/75/1130990675.db2.gz BIQUZLIGKRASSH-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)c(Cl)c2)C1 ZINC001236660664 1130990676 /nfs/dbraw/zinc/99/06/76/1130990676.db2.gz BIQUZLIGKRASSH-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(Cl)n1 ZINC000797591158 1130995887 /nfs/dbraw/zinc/99/58/87/1130995887.db2.gz WQLOYKTWFFIXQB-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)cc(Cl)n1 ZINC000797591158 1130995892 /nfs/dbraw/zinc/99/58/92/1130995892.db2.gz WQLOYKTWFFIXQB-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236992903 1131035199 /nfs/dbraw/zinc/03/51/99/1131035199.db2.gz GHXAPXHIYXYHRW-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236992903 1131035201 /nfs/dbraw/zinc/03/52/01/1131035201.db2.gz GHXAPXHIYXYHRW-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO COc1cc(CNc2ccc([NH+](C)C)c(C)c2)ccc1C#N ZINC000799338851 1131081748 /nfs/dbraw/zinc/08/17/48/1131081748.db2.gz BHIXPUKRBMFLBH-UHFFFAOYSA-N 1 2 295.386 3.553 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237516996 1131108789 /nfs/dbraw/zinc/10/87/89/1131108789.db2.gz XROMDEFVHUHKAH-CYBMUJFWSA-N 1 2 268.335 3.714 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237516996 1131108791 /nfs/dbraw/zinc/10/87/91/1131108791.db2.gz XROMDEFVHUHKAH-CYBMUJFWSA-N 1 2 268.335 3.714 20 30 CHEDLO CCOC(=O)c1ccc(N[NH2+]C=CC(F)(F)F)cc1C ZINC000817328788 1131154775 /nfs/dbraw/zinc/15/47/75/1131154775.db2.gz NULALGMITKZXRS-UHFFFAOYSA-N 1 2 288.269 3.522 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(F)c1F ZINC001137875266 1131427707 /nfs/dbraw/zinc/42/77/07/1131427707.db2.gz OHIHFKAPCOGSGD-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(F)c1F ZINC001137875266 1131427710 /nfs/dbraw/zinc/42/77/10/1131427710.db2.gz OHIHFKAPCOGSGD-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829992965 1131441181 /nfs/dbraw/zinc/44/11/81/1131441181.db2.gz CRHQXLIJDQFRID-UHFFFAOYSA-N 1 2 297.446 3.887 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829992965 1131441187 /nfs/dbraw/zinc/44/11/87/1131441187.db2.gz CRHQXLIJDQFRID-UHFFFAOYSA-N 1 2 297.446 3.887 20 30 CHEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171050523 1131458587 /nfs/dbraw/zinc/45/85/87/1131458587.db2.gz RWJQWGDWOYDGIN-CQSZACIVSA-N 1 2 276.811 3.823 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171050523 1131458590 /nfs/dbraw/zinc/45/85/90/1131458590.db2.gz RWJQWGDWOYDGIN-CQSZACIVSA-N 1 2 276.811 3.823 20 30 CHEDLO Fc1ccc(C[NH+]2CCC(S)CC2)c(F)c1Cl ZINC001143627726 1131519572 /nfs/dbraw/zinc/51/95/72/1131519572.db2.gz SGOUZDGYDFIUBS-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000844321225 1131551867 /nfs/dbraw/zinc/55/18/67/1131551867.db2.gz QCTFEMGCQKGCEV-UHFFFAOYSA-N 1 2 274.389 3.555 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000844321225 1131551869 /nfs/dbraw/zinc/55/18/69/1131551869.db2.gz QCTFEMGCQKGCEV-UHFFFAOYSA-N 1 2 274.389 3.555 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(OCC)cc1OCC ZINC001138978013 1131567763 /nfs/dbraw/zinc/56/77/63/1131567763.db2.gz LHAOWDQTAGSAHQ-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(OCC)cc1OCC ZINC001138978013 1131567768 /nfs/dbraw/zinc/56/77/68/1131567768.db2.gz LHAOWDQTAGSAHQ-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccccc1OCCC ZINC001138998923 1131569950 /nfs/dbraw/zinc/56/99/50/1131569950.db2.gz RCWIMUMIAMJVMZ-UHFFFAOYSA-N 1 2 274.408 3.991 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1OCCC ZINC001138998923 1131569953 /nfs/dbraw/zinc/56/99/53/1131569953.db2.gz RCWIMUMIAMJVMZ-UHFFFAOYSA-N 1 2 274.408 3.991 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171195330 1131646860 /nfs/dbraw/zinc/64/68/60/1131646860.db2.gz RMAUZSGGORFXPH-CYBMUJFWSA-N 1 2 268.335 3.776 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891665 1131647882 /nfs/dbraw/zinc/64/78/82/1131647882.db2.gz DZOZCYJGJVATTO-CYBMUJFWSA-N 1 2 268.335 3.714 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891665 1131647884 /nfs/dbraw/zinc/64/78/84/1131647884.db2.gz DZOZCYJGJVATTO-CYBMUJFWSA-N 1 2 268.335 3.714 20 30 CHEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000834892557 1131719219 /nfs/dbraw/zinc/71/92/19/1131719219.db2.gz LZVGTDZESJGPGY-KFWWJZLASA-N 1 2 295.810 3.820 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(F)cc(Cl)c1 ZINC001140539076 1131785011 /nfs/dbraw/zinc/78/50/11/1131785011.db2.gz VUQAOSMLYUGMQV-UHFFFAOYSA-N 1 2 254.736 3.605 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(F)cc(Cl)c1 ZINC001140539076 1131785016 /nfs/dbraw/zinc/78/50/16/1131785016.db2.gz VUQAOSMLYUGMQV-UHFFFAOYSA-N 1 2 254.736 3.605 20 30 CHEDLO C#C[C@H](CCCCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228089813 1131805521 /nfs/dbraw/zinc/80/55/21/1131805521.db2.gz KXISYYVUFKEVMO-MRXNPFEDSA-N 1 2 285.387 3.631 20 30 CHEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1cnc(C#N)c(F)c1 ZINC001203056528 1131855647 /nfs/dbraw/zinc/85/56/47/1131855647.db2.gz WPIQFPPPDAKJJF-UHFFFAOYSA-N 1 2 284.338 3.738 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](C)c3ccccc3C#N)cc2[nH+]1 ZINC001228328206 1131859476 /nfs/dbraw/zinc/85/94/76/1131859476.db2.gz CMBMMGJYDYVCHL-NSHDSACASA-N 1 2 277.327 3.883 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001171373439 1131924767 /nfs/dbraw/zinc/92/47/67/1131924767.db2.gz HVLZPZBTKXAAPS-GFCCVEGCSA-N 1 2 269.348 3.523 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCc2sccc2C)c1O ZINC000773150899 1131962696 /nfs/dbraw/zinc/96/26/96/1131962696.db2.gz OTULXEXFPJVGNC-GZTJUZNOSA-N 1 2 289.400 3.822 20 30 CHEDLO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(F)cc1C#N ZINC001141166656 1132034578 /nfs/dbraw/zinc/03/45/78/1132034578.db2.gz CNVBJEAOCBRFJH-VMPITWQZSA-N 1 2 280.346 3.843 20 30 CHEDLO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(F)cc1C#N ZINC001141166656 1132034585 /nfs/dbraw/zinc/03/45/85/1132034585.db2.gz CNVBJEAOCBRFJH-VMPITWQZSA-N 1 2 280.346 3.843 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)nc1C ZINC001141430705 1132124308 /nfs/dbraw/zinc/12/43/08/1132124308.db2.gz KCAQSTSWAHMMLO-UHFFFAOYSA-N 1 2 285.313 3.535 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)nc1C ZINC001141430705 1132124312 /nfs/dbraw/zinc/12/43/12/1132124312.db2.gz KCAQSTSWAHMMLO-UHFFFAOYSA-N 1 2 285.313 3.535 20 30 CHEDLO CC[C@H](C)OCC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172315237 1132156366 /nfs/dbraw/zinc/15/63/66/1132156366.db2.gz GKIKAHNBZPLKRX-CABCVRRESA-N 1 2 266.429 3.786 20 30 CHEDLO CCCCCC[C@H](CCC)[NH2+][C@@H](CS)C(=O)OCC ZINC001172379056 1132169705 /nfs/dbraw/zinc/16/97/05/1132169705.db2.gz QGGOMBUUFVQBOU-KBPBESRZSA-N 1 2 289.485 3.577 20 30 CHEDLO C#C[C@@H](CC(C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082005 1132253269 /nfs/dbraw/zinc/25/32/69/1132253269.db2.gz QHILQHOFFZDGHN-AWEZNQCLSA-N 1 2 254.333 3.503 20 30 CHEDLO C#C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC001231082692 1132254107 /nfs/dbraw/zinc/25/41/07/1132254107.db2.gz XOJIVBXENVCZPH-QGZVFWFLSA-N 1 2 274.323 3.830 20 30 CHEDLO O=C1C=C2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@H]2S1 ZINC001172555576 1132267287 /nfs/dbraw/zinc/26/72/87/1132267287.db2.gz ARTOOBHRKZFITQ-HYVNUMGLSA-N 1 2 299.439 3.597 20 30 CHEDLO O=C1C=C2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@H]2S1 ZINC001172555576 1132267292 /nfs/dbraw/zinc/26/72/92/1132267292.db2.gz ARTOOBHRKZFITQ-HYVNUMGLSA-N 1 2 299.439 3.597 20 30 CHEDLO CSc1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)ccc1C#N ZINC001141941752 1132270246 /nfs/dbraw/zinc/27/02/46/1132270246.db2.gz WFVMNMPPFMPEKX-MRXNPFEDSA-N 1 2 295.411 3.622 20 30 CHEDLO CSc1nc(C[N@H+]2CC[C@@H]2c2ccccc2)ccc1C#N ZINC001141941752 1132270251 /nfs/dbraw/zinc/27/02/51/1132270251.db2.gz WFVMNMPPFMPEKX-MRXNPFEDSA-N 1 2 295.411 3.622 20 30 CHEDLO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)cc1C(C)C ZINC001231627124 1132328293 /nfs/dbraw/zinc/32/82/93/1132328293.db2.gz WOUQUINGEIGMRF-HNNXBMFYSA-N 1 2 286.419 3.863 20 30 CHEDLO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)cc1C(C)C ZINC001231627124 1132328301 /nfs/dbraw/zinc/32/83/01/1132328301.db2.gz WOUQUINGEIGMRF-HNNXBMFYSA-N 1 2 286.419 3.863 20 30 CHEDLO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001231739574 1132353444 /nfs/dbraw/zinc/35/34/44/1132353444.db2.gz UVLXUBUSCWJGSF-HNNXBMFYSA-N 1 2 294.398 3.972 20 30 CHEDLO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001231739574 1132353449 /nfs/dbraw/zinc/35/34/49/1132353449.db2.gz UVLXUBUSCWJGSF-HNNXBMFYSA-N 1 2 294.398 3.972 20 30 CHEDLO N#Cc1sccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693936 1132372869 /nfs/dbraw/zinc/37/28/69/1132372869.db2.gz AIVUIYVXEGYDEW-UHFFFAOYSA-N 1 2 280.356 3.608 20 30 CHEDLO N#Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212695427 1132373594 /nfs/dbraw/zinc/37/35/94/1132373594.db2.gz GVYVEHGBBKNEPT-UHFFFAOYSA-N 1 2 274.327 3.547 20 30 CHEDLO C#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001212697574 1132376745 /nfs/dbraw/zinc/37/67/45/1132376745.db2.gz GRSOSIXEDXYMLB-UHFFFAOYSA-N 1 2 291.329 3.795 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cccc(Cl)c1O ZINC001231911638 1132399797 /nfs/dbraw/zinc/39/97/97/1132399797.db2.gz JWKWKMBEGBLULJ-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cccc(Cl)c1O ZINC001231911638 1132399802 /nfs/dbraw/zinc/39/98/02/1132399802.db2.gz JWKWKMBEGBLULJ-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195965 1132409396 /nfs/dbraw/zinc/40/93/96/1132409396.db2.gz AKQVAEOZMURYRU-VMWRSERWSA-N 1 2 286.419 3.904 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)cc1Cl ZINC001232111524 1132424408 /nfs/dbraw/zinc/42/44/08/1132424408.db2.gz CTPPCFWORCWSOR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1Cl ZINC001232111524 1132424411 /nfs/dbraw/zinc/42/44/11/1132424411.db2.gz CTPPCFWORCWSOR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(C)ccc1OC(C)C ZINC001232397064 1132465170 /nfs/dbraw/zinc/46/51/70/1132465170.db2.gz JDQLTBBNZMJMSC-UHFFFAOYSA-N 1 2 274.408 3.908 20 30 CHEDLO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232675066 1132505294 /nfs/dbraw/zinc/50/52/94/1132505294.db2.gz LDZLGVVSZVJCMT-GOSISDBHSA-N 1 2 292.382 3.909 20 30 CHEDLO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232675066 1132505299 /nfs/dbraw/zinc/50/52/99/1132505299.db2.gz LDZLGVVSZVJCMT-GOSISDBHSA-N 1 2 292.382 3.909 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232728169 1132509017 /nfs/dbraw/zinc/50/90/17/1132509017.db2.gz BEVFKKCWLNWDFO-UHFFFAOYSA-N 1 2 261.756 3.557 20 30 CHEDLO COCC1(CC/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000843266037 1132510589 /nfs/dbraw/zinc/51/05/89/1132510589.db2.gz JBYZOZVFORJPJO-XDHOZWIPSA-N 1 2 283.371 3.781 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2ccco2)C2CC2)c(C#N)c1 ZINC001232968086 1132552977 /nfs/dbraw/zinc/55/29/77/1132552977.db2.gz DJBJUVYBWQGJIF-UHFFFAOYSA-N 1 2 266.344 3.624 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)c(C#N)c1 ZINC001232968086 1132552982 /nfs/dbraw/zinc/55/29/82/1132552982.db2.gz DJBJUVYBWQGJIF-UHFFFAOYSA-N 1 2 266.344 3.624 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001233414604 1132618648 /nfs/dbraw/zinc/61/86/48/1132618648.db2.gz WCOGAQGBTQJMBN-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2csc(Br)c2)CC1 ZINC001233414604 1132618653 /nfs/dbraw/zinc/61/86/53/1132618653.db2.gz WCOGAQGBTQJMBN-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO C#CCCCNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001155010679 1132635297 /nfs/dbraw/zinc/63/52/97/1132635297.db2.gz MOUUEWSSORIKIT-UHFFFAOYSA-N 1 2 271.751 3.622 20 30 CHEDLO C#CCCCNc1[nH+]cccc1OCc1ccc(F)cc1 ZINC001155017795 1132636690 /nfs/dbraw/zinc/63/66/90/1132636690.db2.gz BKZHPQVCHXWUAQ-UHFFFAOYSA-N 1 2 284.334 3.625 20 30 CHEDLO C[C@H](CCCC(C)(C)O)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001157888252 1132754238 /nfs/dbraw/zinc/75/42/38/1132754238.db2.gz LKOZPPGGQMQVDP-CYBMUJFWSA-N 1 2 297.402 3.848 20 30 CHEDLO Cc1ccc(C(C)(C)Nc2cc(CC#N)cc[nH+]2)cc1 ZINC001157980156 1132758812 /nfs/dbraw/zinc/75/88/12/1132758812.db2.gz ZBJFCLHVNRCGNH-UHFFFAOYSA-N 1 2 265.360 3.803 20 30 CHEDLO C#C[C@@](C)(CC)Nc1[nH+]ccc2cc(OC)c(F)cc21 ZINC001158745414 1132791477 /nfs/dbraw/zinc/79/14/77/1132791477.db2.gz GLNIVGJSCCHAOJ-INIZCTEOSA-N 1 2 272.323 3.596 20 30 CHEDLO CSc1nc(NC23CCC(C#N)(CC2)CC3)cc(C)[nH+]1 ZINC001158783496 1132792506 /nfs/dbraw/zinc/79/25/06/1132792506.db2.gz KQVNSHZTRFUBKS-UHFFFAOYSA-N 1 2 288.420 3.535 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3ccc(C#N)nc3)ccc21 ZINC001174381438 1132828297 /nfs/dbraw/zinc/82/82/97/1132828297.db2.gz GPSQOWOWKWITKZ-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO Cc1cc(C)c(Nc2cc[nH+]c3[nH]ccc32)cc1C#N ZINC001174413433 1132852697 /nfs/dbraw/zinc/85/26/97/1132852697.db2.gz XUXBCTPSIXEKKG-UHFFFAOYSA-N 1 2 262.316 3.747 20 30 CHEDLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C#N ZINC001174523810 1132912932 /nfs/dbraw/zinc/91/29/32/1132912932.db2.gz SIYPEVCMDHQEKD-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO C[C@H]1c2ccccc2CCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163955748 1133187775 /nfs/dbraw/zinc/18/77/75/1133187775.db2.gz CMMYNTODWDGYES-LBPRGKRZSA-N 1 2 288.354 3.558 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(C#N)ccc2Cl)c1 ZINC001203663421 1133350694 /nfs/dbraw/zinc/35/06/94/1133350694.db2.gz QAQKUQLLNDJCOP-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(C#N)c(F)c2)c1 ZINC001204059424 1133404930 /nfs/dbraw/zinc/40/49/30/1133404930.db2.gz NHOVANWZPVAWNX-UHFFFAOYSA-N 1 2 255.296 3.788 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001204314345 1133435437 /nfs/dbraw/zinc/43/54/37/1133435437.db2.gz FUEBUFBJEZKHRC-MRXNPFEDSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001204314345 1133435441 /nfs/dbraw/zinc/43/54/41/1133435441.db2.gz FUEBUFBJEZKHRC-MRXNPFEDSA-N 1 2 272.392 3.601 20 30 CHEDLO CCOc1cc(F)cc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC001204497665 1133454028 /nfs/dbraw/zinc/45/40/28/1133454028.db2.gz RQTZMLPIYHKIQD-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCOc1cc(F)cc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC001204497665 1133454029 /nfs/dbraw/zinc/45/40/29/1133454029.db2.gz RQTZMLPIYHKIQD-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccn2cc[nH+]c2c1 ZINC001204978606 1133511212 /nfs/dbraw/zinc/51/12/12/1133511212.db2.gz WFDKLSSDYVOIFY-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO N#Cc1cc(Cl)cc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204991351 1133513946 /nfs/dbraw/zinc/51/39/46/1133513946.db2.gz PDZUBKYGJWFOOB-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cncn1CCC ZINC001205161953 1133539213 /nfs/dbraw/zinc/53/92/13/1133539213.db2.gz KCNIGFYWWZHYHZ-UHFFFAOYSA-N 1 2 275.421 3.543 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncn1CCC ZINC001205161953 1133539217 /nfs/dbraw/zinc/53/92/17/1133539217.db2.gz KCNIGFYWWZHYHZ-UHFFFAOYSA-N 1 2 275.421 3.543 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001207117822 1133768489 /nfs/dbraw/zinc/76/84/89/1133768489.db2.gz COPFDHUSBPJSJF-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001207117822 1133768496 /nfs/dbraw/zinc/76/84/96/1133768496.db2.gz COPFDHUSBPJSJF-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO CCCC[N@@H+](CC#N)CC[C@H](C)CCCC(C)(C)O ZINC001207678227 1133838250 /nfs/dbraw/zinc/83/82/50/1133838250.db2.gz HDFQABIFBDHUDU-OAHLLOKOSA-N 1 2 268.445 3.579 20 30 CHEDLO CCCC[N@H+](CC#N)CC[C@H](C)CCCC(C)(C)O ZINC001207678227 1133838254 /nfs/dbraw/zinc/83/82/54/1133838254.db2.gz HDFQABIFBDHUDU-OAHLLOKOSA-N 1 2 268.445 3.579 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2cscn2)CC1 ZINC001208178566 1133899045 /nfs/dbraw/zinc/89/90/45/1133899045.db2.gz RQPZDTNGPPELBB-CQSZACIVSA-N 1 2 262.422 3.878 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2cscn2)CC1 ZINC001208178566 1133899049 /nfs/dbraw/zinc/89/90/49/1133899049.db2.gz RQPZDTNGPPELBB-CQSZACIVSA-N 1 2 262.422 3.878 20 30 CHEDLO C[C@@H](CC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653840 1133922040 /nfs/dbraw/zinc/92/20/40/1133922040.db2.gz JALLKTIQHBPVKJ-JSGCOSHPSA-N 1 2 281.465 3.723 20 30 CHEDLO C[C@@H](CC[N@H+]1CC[C@@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653840 1133922043 /nfs/dbraw/zinc/92/20/43/1133922043.db2.gz JALLKTIQHBPVKJ-JSGCOSHPSA-N 1 2 281.465 3.723 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209724308 1134055025 /nfs/dbraw/zinc/05/50/25/1134055025.db2.gz ZHXJQHCUXLJVNJ-UHFFFAOYSA-N 1 2 275.783 3.947 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209724308 1134055032 /nfs/dbraw/zinc/05/50/32/1134055032.db2.gz ZHXJQHCUXLJVNJ-UHFFFAOYSA-N 1 2 275.783 3.947 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210151290 1134157722 /nfs/dbraw/zinc/15/77/22/1134157722.db2.gz DBXNJJOENIXXPX-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO Cc1ncc(C#N)cc1Nc1cccc2cc[nH+]cc21 ZINC001210224274 1134171591 /nfs/dbraw/zinc/17/15/91/1134171591.db2.gz INKVATJPZNEXEJ-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO N#Cc1cnc(Nc2cccc3cc[nH+]cc32)c(Cl)c1 ZINC001210223781 1134171841 /nfs/dbraw/zinc/17/18/41/1134171841.db2.gz GUKQGJZFMWXEAZ-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C#N)c(Cl)c2C)cc1N ZINC001210289394 1134186977 /nfs/dbraw/zinc/18/69/77/1134186977.db2.gz JMNGWJJJWFCLNG-UHFFFAOYSA-N 1 2 272.739 3.549 20 30 CHEDLO Cc1cc(C#N)cc(Nc2[nH+]cccc2N2CCCC2)c1 ZINC001210388653 1134206922 /nfs/dbraw/zinc/20/69/22/1134206922.db2.gz KUHPWRRHBZXRBE-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1cn2cccc(Nc3cc(C#N)ccc3C)c2[nH+]1 ZINC001210494920 1134228744 /nfs/dbraw/zinc/22/87/44/1134228744.db2.gz BXYCJIFXCPESFS-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1ccc(Nc2cccc(C(C)(C)C#N)c2)[nH+]c1 ZINC001211012117 1134349116 /nfs/dbraw/zinc/34/91/16/1134349116.db2.gz VVWUAENXKSSPPK-UHFFFAOYSA-N 1 2 251.333 3.935 20 30 CHEDLO COc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1C#N ZINC001213089717 1134425615 /nfs/dbraw/zinc/42/56/15/1134425615.db2.gz AJEMHTOFPQUQIY-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO N#Cc1c(F)cc(F)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091994 1134425818 /nfs/dbraw/zinc/42/58/18/1134425818.db2.gz WAOXBNLQGLZINO-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO COc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C#N ZINC001213089869 1134425931 /nfs/dbraw/zinc/42/59/31/1134425931.db2.gz ISAYGOIUZUEVCR-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO COc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1C#N ZINC001213089163 1134426059 /nfs/dbraw/zinc/42/60/59/1134426059.db2.gz XBYIAKWFLSNMJM-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO Cc1cc(C)c(Nc2cccc(C3(C#N)CC3)c2)c[nH+]1 ZINC001213314021 1134440466 /nfs/dbraw/zinc/44/04/66/1134440466.db2.gz LJJCWACYPIKDRG-UHFFFAOYSA-N 1 2 263.344 3.997 20 30 CHEDLO Cc1cn2c(cccc2Nc2cccc(C3(C#N)CC3)c2)[nH+]1 ZINC001213312174 1134440663 /nfs/dbraw/zinc/44/06/63/1134440663.db2.gz WYHMUHYSFQFTAE-UHFFFAOYSA-N 1 2 288.354 3.942 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cc(C#N)ccc1O ZINC001213499574 1134455329 /nfs/dbraw/zinc/45/53/29/1134455329.db2.gz QBUMUYYAVIXMMK-UHFFFAOYSA-N 1 2 265.316 3.588 20 30 CHEDLO Cc1cc(C)c(Nc2c(C#N)ccc(F)c2F)c[nH+]1 ZINC001213521093 1134458770 /nfs/dbraw/zinc/45/87/70/1134458770.db2.gz SVNAJLOWHDWTQS-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cc(C)c(Nc2c(F)ccc(F)c2C#N)c[nH+]1 ZINC001213520458 1134459470 /nfs/dbraw/zinc/45/94/70/1134459470.db2.gz BLDWTRMSMMNDGK-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(C#N)ccc2Cl)c1C ZINC001213530614 1134461237 /nfs/dbraw/zinc/46/12/37/1134461237.db2.gz GZFLWTNPMCVZCF-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(C#N)c(F)c2)c1C ZINC001213533933 1134461316 /nfs/dbraw/zinc/46/13/16/1134461316.db2.gz CVZPJGIOMKJGGQ-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cn2c(cccc2Nc2c(C)cc(C#N)cc2C)[nH+]1 ZINC001215645002 1134655025 /nfs/dbraw/zinc/65/50/25/1134655025.db2.gz AAWKHZQPNDTHET-UHFFFAOYSA-N 1 2 276.343 3.875 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C)c(C#N)c1 ZINC001216074621 1134766682 /nfs/dbraw/zinc/76/66/82/1134766682.db2.gz MFMOWJFRHLXRDP-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO CCCc1cc[nH+]c(Nc2cccc(C#N)c2C)c1 ZINC001216176623 1134795874 /nfs/dbraw/zinc/79/58/74/1134795874.db2.gz ZRPUDTNLJDNVOO-UHFFFAOYSA-N 1 2 251.333 3.958 20 30 CHEDLO CCc1ccc[nH+]c1Nc1ccc(C#N)c(CC)c1 ZINC001216315354 1134849334 /nfs/dbraw/zinc/84/93/34/1134849334.db2.gz DUMXEIFIKSEKAA-UHFFFAOYSA-N 1 2 251.333 3.822 20 30 CHEDLO CCc1cc(Nc2c[nH+]c(C)cc2C)ccc1C#N ZINC001216315388 1134849706 /nfs/dbraw/zinc/84/97/06/1134849706.db2.gz FLNKBPKAXYCQIN-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO CCc1cc(Nc2[nH+]cccc2N2CCCC2)ccc1C#N ZINC001216316364 1134850029 /nfs/dbraw/zinc/85/00/29/1134850029.db2.gz PCGMVEARWSWSOY-UHFFFAOYSA-N 1 2 292.386 3.859 20 30 CHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219557231 1135135553 /nfs/dbraw/zinc/13/55/53/1135135553.db2.gz UHYYUHFVJAQIAB-HIFRSBDPSA-N 1 2 298.390 3.591 20 30 CHEDLO Cc1cn2c(cccc2-c2c(C)cc(C#N)cc2C)[nH+]1 ZINC001222654625 1135260187 /nfs/dbraw/zinc/26/01/87/1135260187.db2.gz BCTFZSXJOXBXRT-UHFFFAOYSA-N 1 2 261.328 3.798 20 30 CHEDLO C#C[C@@H](OCCCCC(=[NH2+])OCC)c1ccccc1 ZINC001224963897 1135497313 /nfs/dbraw/zinc/49/73/13/1135497313.db2.gz RMLIPLDTWODMIO-OAHLLOKOSA-N 1 2 259.349 3.562 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000347226644 533496701 /nfs/dbraw/zinc/49/67/01/533496701.db2.gz AEULBHBXZZUMOH-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000347226644 533496705 /nfs/dbraw/zinc/49/67/05/533496705.db2.gz AEULBHBXZZUMOH-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO N#Cc1ccccc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171617636 335072744 /nfs/dbraw/zinc/07/27/44/335072744.db2.gz MPRFAYFRLJQHEZ-UHFFFAOYSA-N 1 2 287.366 3.598 20 30 CHEDLO N#Cc1ccccc1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171617636 335072746 /nfs/dbraw/zinc/07/27/46/335072746.db2.gz MPRFAYFRLJQHEZ-UHFFFAOYSA-N 1 2 287.366 3.598 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1F ZINC000344237596 225002270 /nfs/dbraw/zinc/00/22/70/225002270.db2.gz XHKTXVVYFJQHIO-VIFPVBQESA-N 1 2 297.171 3.543 20 30 CHEDLO N#Cc1ccc(OCC[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347446013 226157642 /nfs/dbraw/zinc/15/76/42/226157642.db2.gz HAAORBJMJHBSPJ-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO N#Cc1ccc(OCC[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347446013 226157645 /nfs/dbraw/zinc/15/76/45/226157645.db2.gz HAAORBJMJHBSPJ-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO Cc1c[nH+]cc(NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000352793456 227228173 /nfs/dbraw/zinc/22/81/73/227228173.db2.gz FHOLDUOGCURYFQ-UHFFFAOYSA-N 1 2 291.276 3.893 20 30 CHEDLO C=C(C)CN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000180398959 260100570 /nfs/dbraw/zinc/10/05/70/260100570.db2.gz LTRWREZVCUGTDT-UHFFFAOYSA-N 1 2 282.343 3.522 20 30 CHEDLO C=C(Cl)C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000298382159 260153430 /nfs/dbraw/zinc/15/34/30/260153430.db2.gz GOEWCMFWPZTIIP-UHFFFAOYSA-N 1 2 256.802 3.563 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000298855111 260164517 /nfs/dbraw/zinc/16/45/17/260164517.db2.gz DTGGAYWUZBYGAG-ZDUSSCGKSA-N 1 2 283.375 3.696 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000298855111 260164519 /nfs/dbraw/zinc/16/45/19/260164519.db2.gz DTGGAYWUZBYGAG-ZDUSSCGKSA-N 1 2 283.375 3.696 20 30 CHEDLO C=CCC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428377390 260882663 /nfs/dbraw/zinc/88/26/63/260882663.db2.gz XNKURERGTQKENI-HOCLYGCPSA-N 1 2 293.382 3.683 20 30 CHEDLO CC(C)(C#N)CCC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000154092348 261087384 /nfs/dbraw/zinc/08/73/84/261087384.db2.gz FPAVBXDZVNEHHF-MRXNPFEDSA-N 1 2 288.391 3.596 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000361393460 261236563 /nfs/dbraw/zinc/23/65/63/261236563.db2.gz WZEOPDQRFUQTQB-ZDUSSCGKSA-N 1 2 270.298 3.641 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000361393460 261236566 /nfs/dbraw/zinc/23/65/66/261236566.db2.gz WZEOPDQRFUQTQB-ZDUSSCGKSA-N 1 2 270.298 3.641 20 30 CHEDLO N#CCC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000164303838 261347448 /nfs/dbraw/zinc/34/74/48/261347448.db2.gz KXAIZIZOLSUFSD-HNNXBMFYSA-N 1 2 278.359 3.811 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000184096416 262009261 /nfs/dbraw/zinc/00/92/61/262009261.db2.gz XZBOSZGKZPAFSE-AWEZNQCLSA-N 1 2 285.416 3.900 20 30 CHEDLO Cc1ccc2cc(C[N@H+](CC#N)C3CCCC3)ccc2n1 ZINC000187346786 262132871 /nfs/dbraw/zinc/13/28/71/262132871.db2.gz BLTDATGSXUJCDW-UHFFFAOYSA-N 1 2 279.387 3.811 20 30 CHEDLO Cc1ccc2cc(C[N@@H+](CC#N)C3CCCC3)ccc2n1 ZINC000187346786 262132873 /nfs/dbraw/zinc/13/28/73/262132873.db2.gz BLTDATGSXUJCDW-UHFFFAOYSA-N 1 2 279.387 3.811 20 30 CHEDLO CCc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000525782039 262229524 /nfs/dbraw/zinc/22/95/24/262229524.db2.gz IFRMWZIUEGKJPS-UHFFFAOYSA-N 1 2 283.375 3.519 20 30 CHEDLO CCc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000525782039 262229525 /nfs/dbraw/zinc/22/95/25/262229525.db2.gz IFRMWZIUEGKJPS-UHFFFAOYSA-N 1 2 283.375 3.519 20 30 CHEDLO N#CCC[N@@H+](Cc1cnc(-c2ccco2)s1)CC1CC1 ZINC000194379899 262236545 /nfs/dbraw/zinc/23/65/45/262236545.db2.gz WKFUNTIEKZIODU-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CCC[N@H+](Cc1cnc(-c2ccco2)s1)CC1CC1 ZINC000194379899 262236547 /nfs/dbraw/zinc/23/65/47/262236547.db2.gz WKFUNTIEKZIODU-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000336834222 262398984 /nfs/dbraw/zinc/39/89/84/262398984.db2.gz FPAYAFDUCXSMTQ-IAGOWNOFSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000336834222 262398985 /nfs/dbraw/zinc/39/89/85/262398985.db2.gz FPAYAFDUCXSMTQ-IAGOWNOFSA-N 1 2 297.427 3.723 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000272588255 263007243 /nfs/dbraw/zinc/00/72/43/263007243.db2.gz ZTAASUFPBZVUAO-UHFFFAOYSA-N 1 2 297.427 3.936 20 30 CHEDLO CC(C)(C#N)CC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000272963316 263010359 /nfs/dbraw/zinc/01/03/59/263010359.db2.gz XORDPQLTIPROKF-UHFFFAOYSA-N 1 2 283.375 3.617 20 30 CHEDLO CC(C)(C#N)CC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000272963316 263010360 /nfs/dbraw/zinc/01/03/60/263010360.db2.gz XORDPQLTIPROKF-UHFFFAOYSA-N 1 2 283.375 3.617 20 30 CHEDLO CC(C)n1cc[nH+]c1CSCCC(C)(C)C#N ZINC000276634353 263037555 /nfs/dbraw/zinc/03/75/55/263037555.db2.gz QSLJQXIRCDLKKQ-UHFFFAOYSA-N 1 2 251.399 3.637 20 30 CHEDLO Cc1ccc([N@H+](C)CCCC2(C#N)CCOCC2)cc1C ZINC000281946705 263072998 /nfs/dbraw/zinc/07/29/98/263072998.db2.gz JIIUYSQSNOLGKH-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO Cc1ccc([N@@H+](C)CCCC2(C#N)CCOCC2)cc1C ZINC000281946705 263072999 /nfs/dbraw/zinc/07/29/99/263072999.db2.gz JIIUYSQSNOLGKH-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000285125182 263090371 /nfs/dbraw/zinc/09/03/71/263090371.db2.gz VUYVCBKFHAPWOM-KRWDZBQOSA-N 1 2 298.390 3.739 20 30 CHEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000340285375 263104562 /nfs/dbraw/zinc/10/45/62/263104562.db2.gz XZBBMRKQWRQJTM-ZDUSSCGKSA-N 1 2 281.197 3.557 20 30 CHEDLO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000340285375 263104563 /nfs/dbraw/zinc/10/45/63/263104563.db2.gz XZBBMRKQWRQJTM-ZDUSSCGKSA-N 1 2 281.197 3.557 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763025 263181867 /nfs/dbraw/zinc/18/18/67/263181867.db2.gz RTYYHMIANWWXKU-ZWNOBZJWSA-N 1 2 278.758 3.529 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763025 263181868 /nfs/dbraw/zinc/18/18/68/263181868.db2.gz RTYYHMIANWWXKU-ZWNOBZJWSA-N 1 2 278.758 3.529 20 30 CHEDLO N#CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000299002028 263228439 /nfs/dbraw/zinc/22/84/39/263228439.db2.gz QKHJKSUMRFIVDG-MRXNPFEDSA-N 1 2 285.778 3.522 20 30 CHEDLO C=CC[N@@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000121325023 263290657 /nfs/dbraw/zinc/29/06/57/263290657.db2.gz RPTJUEFFHWJXQH-UHFFFAOYSA-N 1 2 296.292 3.978 20 30 CHEDLO C=CC[N@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000121325023 263290659 /nfs/dbraw/zinc/29/06/59/263290659.db2.gz RPTJUEFFHWJXQH-UHFFFAOYSA-N 1 2 296.292 3.978 20 30 CHEDLO C=CCCC[N@@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000126066756 264122198 /nfs/dbraw/zinc/12/21/98/264122198.db2.gz QGVWPOLYQCJVGN-UHFFFAOYSA-N 1 2 263.385 3.515 20 30 CHEDLO C=CCCC[N@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000126066756 264122200 /nfs/dbraw/zinc/12/22/00/264122200.db2.gz QGVWPOLYQCJVGN-UHFFFAOYSA-N 1 2 263.385 3.515 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258944 264225734 /nfs/dbraw/zinc/22/57/34/264225734.db2.gz KLTAWUUAVIDBKT-DOMZBBRYSA-N 1 2 270.376 3.671 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258944 264225735 /nfs/dbraw/zinc/22/57/35/264225735.db2.gz KLTAWUUAVIDBKT-DOMZBBRYSA-N 1 2 270.376 3.671 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC000425456691 264329905 /nfs/dbraw/zinc/32/99/05/264329905.db2.gz JVFDXRABMSPEPU-LBPRGKRZSA-N 1 2 293.317 3.804 20 30 CHEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC1(C#N)CC1 ZINC000343284326 264352555 /nfs/dbraw/zinc/35/25/55/264352555.db2.gz RDKWFEJLIFRWQP-LBPRGKRZSA-N 1 2 277.437 3.872 20 30 CHEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC1(C#N)CC1 ZINC000343284326 264352558 /nfs/dbraw/zinc/35/25/58/264352558.db2.gz RDKWFEJLIFRWQP-LBPRGKRZSA-N 1 2 277.437 3.872 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000131668472 264374347 /nfs/dbraw/zinc/37/43/47/264374347.db2.gz JTLFUPWGWGZXEN-UHFFFAOYSA-N 1 2 267.728 3.578 20 30 CHEDLO N#Cc1c(Cl)cccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000514518448 265172136 /nfs/dbraw/zinc/17/21/36/265172136.db2.gz PRZURKMAWIWCBE-UHFFFAOYSA-N 1 2 296.761 3.743 20 30 CHEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC000356473475 266120982 /nfs/dbraw/zinc/12/09/82/266120982.db2.gz KEUDSVVOFHVUET-MNOVXSKESA-N 1 2 252.308 3.507 20 30 CHEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC000356473475 266120985 /nfs/dbraw/zinc/12/09/85/266120985.db2.gz KEUDSVVOFHVUET-MNOVXSKESA-N 1 2 252.308 3.507 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCc2ccccc2C1 ZINC000359595007 266603493 /nfs/dbraw/zinc/60/34/93/266603493.db2.gz KYGYPDQZBISCQN-INIZCTEOSA-N 1 2 294.398 3.800 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCc2ccccc2C1 ZINC000359595007 266603497 /nfs/dbraw/zinc/60/34/97/266603497.db2.gz KYGYPDQZBISCQN-INIZCTEOSA-N 1 2 294.398 3.800 20 30 CHEDLO C=CC[C@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000116858838 267184314 /nfs/dbraw/zinc/18/43/14/267184314.db2.gz HSJLQOICCZTQTK-AWEZNQCLSA-N 1 2 296.370 3.877 20 30 CHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(F)(F)F ZINC000369804856 267267094 /nfs/dbraw/zinc/26/70/94/267267094.db2.gz YCWKFAHZWNMBHX-KGLIPLIRSA-N 1 2 282.309 3.711 20 30 CHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000369804856 267267099 /nfs/dbraw/zinc/26/70/99/267267099.db2.gz YCWKFAHZWNMBHX-KGLIPLIRSA-N 1 2 282.309 3.711 20 30 CHEDLO C=CCN(Cc1cccs1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119443096 267335047 /nfs/dbraw/zinc/33/50/47/267335047.db2.gz GXNPPVNFIXSMGE-UHFFFAOYSA-N 1 2 287.388 3.672 20 30 CHEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1cc[nH+]cc1C ZINC000121297079 267595067 /nfs/dbraw/zinc/59/50/67/267595067.db2.gz KXMAOYHGLNHCOX-UHFFFAOYSA-N 1 2 299.349 3.749 20 30 CHEDLO C=CCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000374360927 267784756 /nfs/dbraw/zinc/78/47/56/267784756.db2.gz PJLYLJASWXFGTI-UHFFFAOYSA-N 1 2 293.370 3.507 20 30 CHEDLO CC#CCCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000376622076 268002551 /nfs/dbraw/zinc/00/25/51/268002551.db2.gz IDDLSAPODYHDIY-UHFFFAOYSA-N 1 2 281.359 3.517 20 30 CHEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000123266956 268020570 /nfs/dbraw/zinc/02/05/70/268020570.db2.gz NAJSCNBGDDKJRX-UHFFFAOYSA-N 1 2 292.386 3.556 20 30 CHEDLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(C)c(C#N)c1 ZINC000563612177 328076765 /nfs/dbraw/zinc/07/67/65/328076765.db2.gz GAMRZBYNASRAPO-UHFFFAOYSA-N 1 2 267.376 3.797 20 30 CHEDLO COc1cccc2c1cc[nH+]c2NCC(C)(C)CC#N ZINC000413402025 328144509 /nfs/dbraw/zinc/14/45/09/328144509.db2.gz FQQLDSGWLRJKSE-UHFFFAOYSA-N 1 2 269.348 3.595 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000184097595 329256230 /nfs/dbraw/zinc/25/62/30/329256230.db2.gz VFHXAUPGFRZZLJ-LBPRGKRZSA-N 1 2 263.410 3.583 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccco1 ZINC000557704336 327021570 /nfs/dbraw/zinc/02/15/70/327021570.db2.gz LGOTYULISSCIQX-OAHLLOKOSA-N 1 2 273.380 3.854 20 30 CHEDLO Cc1c2ccccc2n(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000558471861 327097072 /nfs/dbraw/zinc/09/70/72/327097072.db2.gz GGUVLVSXAZLHEI-UHFFFAOYSA-N 1 2 290.370 3.560 20 30 CHEDLO C=CCCN(C)c1cc(COC)[nH+]c2ccc(F)cc21 ZINC000357683052 327112679 /nfs/dbraw/zinc/11/26/79/327112679.db2.gz GRMKBJLTNVICCY-UHFFFAOYSA-N 1 2 274.339 3.533 20 30 CHEDLO C=CCCCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000410377429 327188535 /nfs/dbraw/zinc/18/85/35/327188535.db2.gz BGFUGOATCZKHDZ-CQSZACIVSA-N 1 2 281.421 3.640 20 30 CHEDLO C=CCCCCC[N@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000410377429 327188537 /nfs/dbraw/zinc/18/85/37/327188537.db2.gz BGFUGOATCZKHDZ-CQSZACIVSA-N 1 2 281.421 3.640 20 30 CHEDLO Cc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1Cl ZINC000559958883 327273765 /nfs/dbraw/zinc/27/37/65/327273765.db2.gz GVDOFSOEFZEZRC-UHFFFAOYSA-N 1 2 271.751 3.722 20 30 CHEDLO Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000560027540 327278312 /nfs/dbraw/zinc/27/83/12/327278312.db2.gz ZZHBZDIPTGDVKH-RTBURBONSA-N 1 2 298.430 3.731 20 30 CHEDLO Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000560027540 327278313 /nfs/dbraw/zinc/27/83/13/327278313.db2.gz ZZHBZDIPTGDVKH-RTBURBONSA-N 1 2 298.430 3.731 20 30 CHEDLO CCc1nc(Nc2ccc(C(C)(C)C#N)cc2)cc(C)[nH+]1 ZINC000561143574 327369143 /nfs/dbraw/zinc/36/91/43/327369143.db2.gz ARUTYFXQIIWHKD-UHFFFAOYSA-N 1 2 280.375 3.892 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(OCC3CC3)cc2)c1 ZINC000569640269 327481451 /nfs/dbraw/zinc/48/14/51/327481451.db2.gz CYLQVQNVCHSNMD-UHFFFAOYSA-N 1 2 293.370 3.549 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC000582189234 328621836 /nfs/dbraw/zinc/62/18/36/328621836.db2.gz JXLFUEPEJXUPFX-NXEZZACHSA-N 1 2 254.736 3.822 20 30 CHEDLO N#Cc1cccc(Cl)c1NCCCNc1cccc[nH+]1 ZINC000180409780 329216205 /nfs/dbraw/zinc/21/62/05/329216205.db2.gz LUQZEPUGBXOWTN-UHFFFAOYSA-N 1 2 286.766 3.521 20 30 CHEDLO Cn1c2ccccc2[nH+]c1CCSCC1(C#N)CCC1 ZINC000419577120 329740862 /nfs/dbraw/zinc/74/08/62/329740862.db2.gz GVUWMMFPAKHMST-UHFFFAOYSA-N 1 2 285.416 3.543 20 30 CHEDLO N#Cc1csc(C[NH2+][C@@H](CC(F)F)c2ccccc2)n1 ZINC000420992366 329796217 /nfs/dbraw/zinc/79/62/17/329796217.db2.gz KOSRJKOPINYOMV-LBPRGKRZSA-N 1 2 293.342 3.501 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000266017395 330063429 /nfs/dbraw/zinc/06/34/29/330063429.db2.gz VIWIEDULVHYVQY-UHFFFAOYSA-N 1 2 272.323 3.633 20 30 CHEDLO CC[C@@](C)([NH2+]CCCC(C)(C)C#N)C(F)(F)F ZINC000533066666 330325711 /nfs/dbraw/zinc/32/57/11/330325711.db2.gz CTCLMGWQFCKTBS-LLVKDONJSA-N 1 2 250.308 3.637 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000533137067 330350328 /nfs/dbraw/zinc/35/03/28/330350328.db2.gz UPRCEFVPZHVDSF-GFCCVEGCSA-N 1 2 298.430 3.939 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000533137067 330350329 /nfs/dbraw/zinc/35/03/29/330350329.db2.gz UPRCEFVPZHVDSF-GFCCVEGCSA-N 1 2 298.430 3.939 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(F)cccc1F ZINC000533311313 330357124 /nfs/dbraw/zinc/35/71/24/330357124.db2.gz CHEOAVBBFKTCIY-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO CSc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092143122 330407304 /nfs/dbraw/zinc/40/73/04/330407304.db2.gz HHUCTWVDFHUBPI-UHFFFAOYSA-N 1 2 294.383 3.540 20 30 CHEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)n1 ZINC000162732227 330954179 /nfs/dbraw/zinc/95/41/79/330954179.db2.gz HIQGPHXNAHYKPX-SNVBAGLBSA-N 1 2 291.807 3.827 20 30 CHEDLO COc1ccc2[nH+]c(C)cc(OCC3(C#N)CCC3)c2c1 ZINC000450786622 330999757 /nfs/dbraw/zinc/99/97/57/330999757.db2.gz DCUJWRJRHUYVNZ-UHFFFAOYSA-N 1 2 282.343 3.625 20 30 CHEDLO C=CCC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCCCC1 ZINC000452334569 331062709 /nfs/dbraw/zinc/06/27/09/331062709.db2.gz VFQAODLSFALYNE-UHFFFAOYSA-N 1 2 287.407 3.685 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453030664 331084274 /nfs/dbraw/zinc/08/42/74/331084274.db2.gz YKEMUEINTTVDAS-RDJZCZTQSA-N 1 2 279.387 3.657 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000453030664 331084275 /nfs/dbraw/zinc/08/42/75/331084275.db2.gz YKEMUEINTTVDAS-RDJZCZTQSA-N 1 2 279.387 3.657 20 30 CHEDLO C=CCCCCCN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455560188 331172974 /nfs/dbraw/zinc/17/29/74/331172974.db2.gz PMWLVHKRIVVWPX-UHFFFAOYSA-N 1 2 289.423 3.586 20 30 CHEDLO C=CC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456846927 331207477 /nfs/dbraw/zinc/20/74/77/331207477.db2.gz UEYPOUXQSASOBU-SFHVURJKSA-N 1 2 294.398 3.675 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000459344069 331277173 /nfs/dbraw/zinc/27/71/73/331277173.db2.gz UHCROPOHJBVSMI-UHFFFAOYSA-N 1 2 286.423 3.506 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000459344069 331277174 /nfs/dbraw/zinc/27/71/74/331277174.db2.gz UHCROPOHJBVSMI-UHFFFAOYSA-N 1 2 286.423 3.506 20 30 CHEDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510954474 332921846 /nfs/dbraw/zinc/92/18/46/332921846.db2.gz UJBVDARGEPWNOM-SNVBAGLBSA-N 1 2 284.737 3.868 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000489512761 332057499 /nfs/dbraw/zinc/05/74/99/332057499.db2.gz OPOWFYJZLCXSOE-ZDUSSCGKSA-N 1 2 250.411 3.807 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000489512761 332057500 /nfs/dbraw/zinc/05/75/00/332057500.db2.gz OPOWFYJZLCXSOE-ZDUSSCGKSA-N 1 2 250.411 3.807 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1F ZINC000491231855 332171111 /nfs/dbraw/zinc/17/11/11/332171111.db2.gz WLOWYYPOGCWYHC-KRWDZBQOSA-N 1 2 298.748 3.815 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000491278706 332179991 /nfs/dbraw/zinc/17/99/91/332179991.db2.gz VINLJYMHXRQQQJ-CYBMUJFWSA-N 1 2 263.699 3.536 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(COC)o1)c1ccc(Cl)cc1 ZINC000491408691 332206778 /nfs/dbraw/zinc/20/67/78/332206778.db2.gz WKBZETIBAHHILW-MRXNPFEDSA-N 1 2 289.762 3.544 20 30 CHEDLO C#C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Cl)cc1F ZINC000491768661 332336046 /nfs/dbraw/zinc/33/60/46/332336046.db2.gz ISVSHQUGBQJFHK-XHDPSFHLSA-N 1 2 288.753 3.899 20 30 CHEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000249877330 334341786 /nfs/dbraw/zinc/34/17/86/334341786.db2.gz MCYWOQKIMDOVQP-VXGBXAGGSA-N 1 2 250.773 3.883 20 30 CHEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000249877330 334341787 /nfs/dbraw/zinc/34/17/87/334341787.db2.gz MCYWOQKIMDOVQP-VXGBXAGGSA-N 1 2 250.773 3.883 20 30 CHEDLO CCCCCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000513730306 333036074 /nfs/dbraw/zinc/03/60/74/333036074.db2.gz XVZUJADTPVWGJP-OAHLLOKOSA-N 1 2 274.408 3.990 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000513730306 333036075 /nfs/dbraw/zinc/03/60/75/333036075.db2.gz XVZUJADTPVWGJP-OAHLLOKOSA-N 1 2 274.408 3.990 20 30 CHEDLO Cc1c(C#N)cccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000179057162 333079588 /nfs/dbraw/zinc/07/95/88/333079588.db2.gz LDWQZNVAWMARPH-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185900786 333151503 /nfs/dbraw/zinc/15/15/03/333151503.db2.gz RJJMPZPHUMRPKY-ZNMIVQPWSA-N 1 2 294.439 3.559 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000186020557 333153497 /nfs/dbraw/zinc/15/34/97/333153497.db2.gz JSBVYZZDAPQOJE-LBPRGKRZSA-N 1 2 269.348 3.618 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000229956786 333312045 /nfs/dbraw/zinc/31/20/45/333312045.db2.gz NTSAHSQSMSIPTA-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229956786 333312046 /nfs/dbraw/zinc/31/20/46/333312046.db2.gz NTSAHSQSMSIPTA-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO CC(C)(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000538391386 333587625 /nfs/dbraw/zinc/58/76/25/333587625.db2.gz ZKMZUXMSPVVZIF-AWEZNQCLSA-N 1 2 278.346 3.945 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cc3ccccc3s2)c1 ZINC000546634279 334042261 /nfs/dbraw/zinc/04/22/61/334042261.db2.gz GBUVTESGIWOKJH-UHFFFAOYSA-N 1 2 279.368 3.974 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000075596084 334046463 /nfs/dbraw/zinc/04/64/63/334046463.db2.gz OHIULIGLZOSFLZ-UHFFFAOYSA-N 1 2 272.779 3.923 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000075596084 334046464 /nfs/dbraw/zinc/04/64/64/334046464.db2.gz OHIULIGLZOSFLZ-UHFFFAOYSA-N 1 2 272.779 3.923 20 30 CHEDLO C=C(C)C[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000547768667 334116215 /nfs/dbraw/zinc/11/62/15/334116215.db2.gz CFDRTIFRKVCSQS-UHFFFAOYSA-N 1 2 283.375 3.525 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000547768667 334116217 /nfs/dbraw/zinc/11/62/17/334116217.db2.gz CFDRTIFRKVCSQS-UHFFFAOYSA-N 1 2 283.375 3.525 20 30 CHEDLO N#CCC[N@@H+](CCc1ccccc1Cl)Cc1ccccn1 ZINC000081159274 334179737 /nfs/dbraw/zinc/17/97/37/334179737.db2.gz QKYGGNKMFWWNBV-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO N#CCC[N@H+](CCc1ccccc1Cl)Cc1ccccn1 ZINC000081159274 334179738 /nfs/dbraw/zinc/17/97/38/334179738.db2.gz QKYGGNKMFWWNBV-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO C=CCc1ccc(OCc2cc(OC)cc(C)[nH+]2)c(OC)c1 ZINC000552301466 334314780 /nfs/dbraw/zinc/31/47/80/334314780.db2.gz DHEVYTWYOBWESY-UHFFFAOYSA-N 1 2 299.370 3.715 20 30 CHEDLO N#CC[N@@H+](CCOc1ccc(F)cc1Cl)C1CCCC1 ZINC000091672184 334381803 /nfs/dbraw/zinc/38/18/03/334381803.db2.gz HBYITHYIBFODJP-UHFFFAOYSA-N 1 2 296.773 3.626 20 30 CHEDLO N#CC[N@H+](CCOc1ccc(F)cc1Cl)C1CCCC1 ZINC000091672184 334381804 /nfs/dbraw/zinc/38/18/04/334381804.db2.gz HBYITHYIBFODJP-UHFFFAOYSA-N 1 2 296.773 3.626 20 30 CHEDLO Cc1c[nH+]c(CCSCC2(C#N)CCC2)c(C)c1 ZINC000580834701 335973187 /nfs/dbraw/zinc/97/31/87/335973187.db2.gz XPFDHAGAHXKFFF-UHFFFAOYSA-N 1 2 260.406 3.668 20 30 CHEDLO CSc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000356108793 534204950 /nfs/dbraw/zinc/20/49/50/534204950.db2.gz JRFOOSZRUAIBRQ-JTQLQIEISA-N 1 2 266.435 3.594 20 30 CHEDLO CSc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000356108793 534204954 /nfs/dbraw/zinc/20/49/54/534204954.db2.gz JRFOOSZRUAIBRQ-JTQLQIEISA-N 1 2 266.435 3.594 20 30 CHEDLO COc1cc(C#N)ccc1OCc1ccc(C(C)C)[nH+]c1C ZINC000338506307 522043636 /nfs/dbraw/zinc/04/36/36/522043636.db2.gz OSMAORVADOYYBR-UHFFFAOYSA-N 1 2 296.370 3.973 20 30 CHEDLO COc1cc(CNc2ccc([NH+](C)C)cc2C)ccc1C#N ZINC000281456000 522492917 /nfs/dbraw/zinc/49/29/17/522492917.db2.gz ANYGYPNJWAREQV-UHFFFAOYSA-N 1 2 295.386 3.553 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc(C#N)c1F ZINC000340764294 523245162 /nfs/dbraw/zinc/24/51/62/523245162.db2.gz UFYVVNSDXRXEGY-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cccc(C#N)c1F ZINC000340764294 523245152 /nfs/dbraw/zinc/24/51/52/523245152.db2.gz UFYVVNSDXRXEGY-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@H+](Cc1ccc(F)cc1F)Cc1cccc(C#N)c1F ZINC000340734427 523259011 /nfs/dbraw/zinc/25/90/11/523259011.db2.gz BUSZRFUVPZQWMW-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1cccc(C#N)c1F ZINC000340734427 523259020 /nfs/dbraw/zinc/25/90/20/523259020.db2.gz BUSZRFUVPZQWMW-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=C1CC[NH+](Cc2cccc(OCC)c2OC(F)F)CC1 ZINC000353334255 526905137 /nfs/dbraw/zinc/90/51/37/526905137.db2.gz UDLPOZKAYBEUJI-UHFFFAOYSA-N 1 2 297.345 3.839 20 30 CHEDLO C=C1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000353546004 526906819 /nfs/dbraw/zinc/90/68/19/526906819.db2.gz FLHZIQHEZFPHMK-UHFFFAOYSA-N 1 2 276.327 3.622 20 30 CHEDLO C=CCC(C)(C)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000352527198 527014263 /nfs/dbraw/zinc/01/42/63/527014263.db2.gz XRXPNGCFUIMROU-UHFFFAOYSA-N 1 2 297.402 3.513 20 30 CHEDLO CC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)O1 ZINC000330208070 529247438 /nfs/dbraw/zinc/24/74/38/529247438.db2.gz ASWKXXDSVCVTEO-WFASDCNBSA-N 1 2 299.374 3.931 20 30 CHEDLO C=CCCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000765516422 1118160872 /nfs/dbraw/zinc/16/08/72/1118160872.db2.gz SCEAPVYWTTYUCJ-ZBFHGGJFSA-N 1 2 275.392 3.577 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccccc2)s1 ZINC000155092303 1119325783 /nfs/dbraw/zinc/32/57/83/1119325783.db2.gz UFRKMFPRCFLPLX-UHFFFAOYSA-N 1 2 273.405 3.603 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccccc2)s1 ZINC000155092303 1119325785 /nfs/dbraw/zinc/32/57/85/1119325785.db2.gz UFRKMFPRCFLPLX-UHFFFAOYSA-N 1 2 273.405 3.603 20 30 CHEDLO CCCCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509801367 1121608990 /nfs/dbraw/zinc/60/89/90/1121608990.db2.gz BNKIWZVFSHGMCU-HNNXBMFYSA-N 1 2 274.408 3.847 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509801367 1121608995 /nfs/dbraw/zinc/60/89/95/1121608995.db2.gz BNKIWZVFSHGMCU-HNNXBMFYSA-N 1 2 274.408 3.847 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000794744438 1123944075 /nfs/dbraw/zinc/94/40/75/1123944075.db2.gz IYAVVNNLYNYGJY-HNNXBMFYSA-N 1 2 260.768 3.729 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001232609381 1132492108 /nfs/dbraw/zinc/49/21/08/1132492108.db2.gz ZYBNPFDXDGYHID-NSHDSACASA-N 1 2 284.737 3.689 20 30 CHEDLO COc1cc(Cl)cc(F)c1C[NH+]1CCC(CC#N)CC1 ZINC001233004037 1132560110 /nfs/dbraw/zinc/56/01/10/1132560110.db2.gz GYAWTUVTSUQNEI-UHFFFAOYSA-N 1 2 296.773 3.613 20 30 CHEDLO C=CC[N@@H+](Cc1cn2ccccc2n1)Cc1cccs1 ZINC000060942791 1125546198 /nfs/dbraw/zinc/54/61/98/1125546198.db2.gz AZRTVJMKKJFSQP-UHFFFAOYSA-N 1 2 283.400 3.584 20 30 CHEDLO C=CC[N@H+](Cc1cn2ccccc2n1)Cc1cccs1 ZINC000060942791 1125546201 /nfs/dbraw/zinc/54/62/01/1125546201.db2.gz AZRTVJMKKJFSQP-UHFFFAOYSA-N 1 2 283.400 3.584 20 30 CHEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000093090435 1125764305 /nfs/dbraw/zinc/76/43/05/1125764305.db2.gz WYLPVIKGCVXKAQ-LBPRGKRZSA-N 1 2 278.783 3.639 20 30 CHEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000093090435 1125764311 /nfs/dbraw/zinc/76/43/11/1125764311.db2.gz WYLPVIKGCVXKAQ-LBPRGKRZSA-N 1 2 278.783 3.639 20 30 CHEDLO CC(C)(C#N)CCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000135505635 1126719349 /nfs/dbraw/zinc/71/93/49/1126719349.db2.gz JALVODWIERFDNO-UHFFFAOYSA-N 1 2 269.348 3.581 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000600608649 1126722972 /nfs/dbraw/zinc/72/29/72/1126722972.db2.gz FWGJXZCTTVKNMZ-LLVKDONJSA-N 1 2 287.750 3.619 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc(-c2cccs2)oc1C ZINC000338391052 1126739464 /nfs/dbraw/zinc/73/94/64/1126739464.db2.gz AQFDTEPKQKUZBO-UHFFFAOYSA-N 1 2 274.389 3.886 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000159678380 1126749871 /nfs/dbraw/zinc/74/98/71/1126749871.db2.gz HNPDRWPMVGDNMK-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000159678380 1126749875 /nfs/dbraw/zinc/74/98/75/1126749875.db2.gz HNPDRWPMVGDNMK-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C#N)cc1 ZINC000175536212 1126783391 /nfs/dbraw/zinc/78/33/91/1126783391.db2.gz QOBXPGHCRKVHBO-UHFFFAOYSA-N 1 2 297.427 3.526 20 30 CHEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(C#N)cc1 ZINC000175536212 1126783395 /nfs/dbraw/zinc/78/33/95/1126783395.db2.gz QOBXPGHCRKVHBO-UHFFFAOYSA-N 1 2 297.427 3.526 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(F)c1Cl ZINC001255165262 1130533608 /nfs/dbraw/zinc/53/36/08/1130533608.db2.gz WAXQMLIKMURMHK-NXEZZACHSA-N 1 2 254.736 3.822 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179453152 1126828374 /nfs/dbraw/zinc/82/83/74/1126828374.db2.gz VUDVYQHKXVMUSS-LBPRGKRZSA-N 1 2 272.323 3.820 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179453152 1126828377 /nfs/dbraw/zinc/82/83/77/1126828377.db2.gz VUDVYQHKXVMUSS-LBPRGKRZSA-N 1 2 272.323 3.820 20 30 CHEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000182249268 1126869077 /nfs/dbraw/zinc/86/90/77/1126869077.db2.gz MEBVNWBRWKCJKM-OAHLLOKOSA-N 1 2 295.430 3.786 20 30 CHEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000182249268 1126869080 /nfs/dbraw/zinc/86/90/80/1126869080.db2.gz MEBVNWBRWKCJKM-OAHLLOKOSA-N 1 2 295.430 3.786 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCC1 ZINC000190806970 1126944577 /nfs/dbraw/zinc/94/45/77/1126944577.db2.gz XLQZOZNXPMYQKH-UHFFFAOYSA-N 1 2 281.359 3.762 20 30 CHEDLO CCC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000270686156 1127061304 /nfs/dbraw/zinc/06/13/04/1127061304.db2.gz ZHYDRAASRQFUDO-UHFFFAOYSA-N 1 2 295.386 3.836 20 30 CHEDLO CCC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000270686156 1127061307 /nfs/dbraw/zinc/06/13/07/1127061307.db2.gz ZHYDRAASRQFUDO-UHFFFAOYSA-N 1 2 295.386 3.836 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000271128760 1127069538 /nfs/dbraw/zinc/06/95/38/1127069538.db2.gz MZIGCMTYRHSJDN-LBPRGKRZSA-N 1 2 272.323 3.677 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000271128760 1127069542 /nfs/dbraw/zinc/06/95/42/1127069542.db2.gz MZIGCMTYRHSJDN-LBPRGKRZSA-N 1 2 272.323 3.677 20 30 CHEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000590257847 1127252701 /nfs/dbraw/zinc/25/27/01/1127252701.db2.gz KVNQRGHETDLQBM-GUYCJALGSA-N 1 2 282.391 3.804 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590640880 1127266551 /nfs/dbraw/zinc/26/65/51/1127266551.db2.gz ZGZDUOAPDONBBH-JTQLQIEISA-N 1 2 289.766 3.605 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000590640880 1127266552 /nfs/dbraw/zinc/26/65/52/1127266552.db2.gz ZGZDUOAPDONBBH-JTQLQIEISA-N 1 2 289.766 3.605 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)nc1 ZINC000590754774 1127270428 /nfs/dbraw/zinc/27/04/28/1127270428.db2.gz KXZWPWMDOMREPW-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)nc1 ZINC000590754774 1127270430 /nfs/dbraw/zinc/27/04/30/1127270430.db2.gz KXZWPWMDOMREPW-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000590959847 1127280077 /nfs/dbraw/zinc/28/00/77/1127280077.db2.gz YPIPSCPCYSNVCB-OAHLLOKOSA-N 1 2 262.784 3.508 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000590959847 1127280080 /nfs/dbraw/zinc/28/00/80/1127280080.db2.gz YPIPSCPCYSNVCB-OAHLLOKOSA-N 1 2 262.784 3.508 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1noc2c1CCCC2 ZINC000591853649 1127324771 /nfs/dbraw/zinc/32/47/71/1127324771.db2.gz NCBGSQOODQKQMZ-CYBMUJFWSA-N 1 2 295.386 3.618 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000591853649 1127324775 /nfs/dbraw/zinc/32/47/75/1127324775.db2.gz NCBGSQOODQKQMZ-CYBMUJFWSA-N 1 2 295.386 3.618 20 30 CHEDLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1ccncc1C#N ZINC000592056123 1127333927 /nfs/dbraw/zinc/33/39/27/1127333927.db2.gz VXNLPZNMHWAWDW-UHFFFAOYSA-N 1 2 293.414 3.883 20 30 CHEDLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1ccncc1C#N ZINC000592056123 1127333929 /nfs/dbraw/zinc/33/39/29/1127333929.db2.gz VXNLPZNMHWAWDW-UHFFFAOYSA-N 1 2 293.414 3.883 20 30 CHEDLO C[C@H]1CC[N@H+](Cc2ccncc2C#N)[C@H]1c1cccc(F)c1 ZINC000592071674 1127334910 /nfs/dbraw/zinc/33/49/10/1127334910.db2.gz OCVQJYVEHFZELR-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]1c1cccc(F)c1 ZINC000592071674 1127334914 /nfs/dbraw/zinc/33/49/14/1127334914.db2.gz OCVQJYVEHFZELR-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592124743 1127335980 /nfs/dbraw/zinc/33/59/80/1127335980.db2.gz GDIZZSHKYBKUPG-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592124743 1127335984 /nfs/dbraw/zinc/33/59/84/1127335984.db2.gz GDIZZSHKYBKUPG-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCC(C)(C)C#N ZINC000592156144 1127338025 /nfs/dbraw/zinc/33/80/25/1127338025.db2.gz HEPITBOTWBSSCE-CJNGLKHVSA-N 1 2 290.382 3.527 20 30 CHEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCC(C)(C)C#N ZINC000592156144 1127338029 /nfs/dbraw/zinc/33/80/29/1127338029.db2.gz HEPITBOTWBSSCE-CJNGLKHVSA-N 1 2 290.382 3.527 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592186067 1127338258 /nfs/dbraw/zinc/33/82/58/1127338258.db2.gz BBGQRGJVBXKZLP-SJLPKXTDSA-N 1 2 291.398 3.823 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592186067 1127338260 /nfs/dbraw/zinc/33/82/60/1127338260.db2.gz BBGQRGJVBXKZLP-SJLPKXTDSA-N 1 2 291.398 3.823 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2ccccc2)cn1 ZINC000593621845 1127391401 /nfs/dbraw/zinc/39/14/01/1127391401.db2.gz LXDRHKVJCXVBEC-CQSZACIVSA-N 1 2 277.371 3.703 20 30 CHEDLO CSc1ccccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000358040089 1127397668 /nfs/dbraw/zinc/39/76/68/1127397668.db2.gz VLVPYYZZTLGPBD-GFCCVEGCSA-N 1 2 260.406 3.533 20 30 CHEDLO CSc1ccccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000358040089 1127397671 /nfs/dbraw/zinc/39/76/71/1127397671.db2.gz VLVPYYZZTLGPBD-GFCCVEGCSA-N 1 2 260.406 3.533 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000593977965 1127401629 /nfs/dbraw/zinc/40/16/29/1127401629.db2.gz WHHFRYYQWCCYKI-SFHVURJKSA-N 1 2 286.419 3.944 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000593977965 1127401631 /nfs/dbraw/zinc/40/16/31/1127401631.db2.gz WHHFRYYQWCCYKI-SFHVURJKSA-N 1 2 286.419 3.944 20 30 CHEDLO N#CC[N@@H+](CCCc1c(F)cccc1F)C1CCCC1 ZINC000593959107 1127403485 /nfs/dbraw/zinc/40/34/85/1127403485.db2.gz FVUFXLNJIFSRAU-UHFFFAOYSA-N 1 2 278.346 3.666 20 30 CHEDLO N#CC[N@H+](CCCc1c(F)cccc1F)C1CCCC1 ZINC000593959107 1127403488 /nfs/dbraw/zinc/40/34/88/1127403488.db2.gz FVUFXLNJIFSRAU-UHFFFAOYSA-N 1 2 278.346 3.666 20 30 CHEDLO CCc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358590116 1127427837 /nfs/dbraw/zinc/42/78/37/1127427837.db2.gz NCWPAXMNKPVBNZ-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000594993725 1127444155 /nfs/dbraw/zinc/44/41/55/1127444155.db2.gz GFGFTPXQCMUVGV-DZGCQCFKSA-N 1 2 272.392 3.967 20 30 CHEDLO CCn1c2ccccc2nc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594995391 1127444172 /nfs/dbraw/zinc/44/41/72/1127444172.db2.gz PIYWUZKLLNOVOG-UHFFFAOYSA-N 1 2 296.418 3.620 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(Br)o2)CCCCC1 ZINC000594994210 1127444491 /nfs/dbraw/zinc/44/44/91/1127444491.db2.gz IBEHRDRGLNTUQX-UHFFFAOYSA-N 1 2 297.196 3.606 20 30 CHEDLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccc(C#N)c1 ZINC000595106107 1127453175 /nfs/dbraw/zinc/45/31/75/1127453175.db2.gz HVPXPEDRJVWDCS-LLVKDONJSA-N 1 2 266.335 3.890 20 30 CHEDLO COc1ccc([C@H]([NH2+]CC2(C#N)CC2)c2ccccc2)cc1 ZINC000595635962 1127469409 /nfs/dbraw/zinc/46/94/09/1127469409.db2.gz PEZSBEVIMIZVQT-GOSISDBHSA-N 1 2 292.382 3.678 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000595610441 1127470140 /nfs/dbraw/zinc/47/01/40/1127470140.db2.gz YRSPSCCIBKHSGX-ZDUSSCGKSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000595610441 1127470142 /nfs/dbraw/zinc/47/01/42/1127470142.db2.gz YRSPSCCIBKHSGX-ZDUSSCGKSA-N 1 2 299.349 3.606 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)ccn1 ZINC000595673475 1127472091 /nfs/dbraw/zinc/47/20/91/1127472091.db2.gz FLKMWJVHGSCMTI-KRWDZBQOSA-N 1 2 293.370 3.664 20 30 CHEDLO N#Cc1cc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)ccn1 ZINC000595673475 1127472093 /nfs/dbraw/zinc/47/20/93/1127472093.db2.gz FLKMWJVHGSCMTI-KRWDZBQOSA-N 1 2 293.370 3.664 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595700655 1127473059 /nfs/dbraw/zinc/47/30/59/1127473059.db2.gz CYNOKHKTESHQQY-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595700655 1127473061 /nfs/dbraw/zinc/47/30/61/1127473061.db2.gz CYNOKHKTESHQQY-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO CC[N@H+](CCCCCn1c(C)nc2ccccc21)[C@@H](C)C#N ZINC000595821365 1127476535 /nfs/dbraw/zinc/47/65/35/1127476535.db2.gz UTPWSFYJTSXOMS-HNNXBMFYSA-N 1 2 298.434 3.749 20 30 CHEDLO CC[N@@H+](CCCCCn1c(C)nc2ccccc21)[C@@H](C)C#N ZINC000595821365 1127476536 /nfs/dbraw/zinc/47/65/36/1127476536.db2.gz UTPWSFYJTSXOMS-HNNXBMFYSA-N 1 2 298.434 3.749 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000595839301 1127477419 /nfs/dbraw/zinc/47/74/19/1127477419.db2.gz HNKCQSCNPDTGKP-SFHVURJKSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000595839301 1127477420 /nfs/dbraw/zinc/47/74/20/1127477420.db2.gz HNKCQSCNPDTGKP-SFHVURJKSA-N 1 2 293.370 3.609 20 30 CHEDLO CC(C)CSCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125221 1127478015 /nfs/dbraw/zinc/47/80/15/1127478015.db2.gz BXMIHKLVALSROZ-UHFFFAOYSA-N 1 2 274.433 3.653 20 30 CHEDLO CC(C)CSCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125221 1127478016 /nfs/dbraw/zinc/47/80/16/1127478016.db2.gz BXMIHKLVALSROZ-UHFFFAOYSA-N 1 2 274.433 3.653 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@H+](CCC1CC1)CC1CC1 ZINC000595871830 1127480363 /nfs/dbraw/zinc/48/03/63/1127480363.db2.gz RNNGEUGNANZDNK-QGZVFWFLSA-N 1 2 254.377 3.763 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@@H+](CCC1CC1)CC1CC1 ZINC000595871830 1127480365 /nfs/dbraw/zinc/48/03/65/1127480365.db2.gz RNNGEUGNANZDNK-QGZVFWFLSA-N 1 2 254.377 3.763 20 30 CHEDLO C=CCC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000293444189 1127502101 /nfs/dbraw/zinc/50/21/01/1127502101.db2.gz UGYCTRULKFZVSP-UHFFFAOYSA-N 1 2 287.338 3.552 20 30 CHEDLO C=CCC(C)(C)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000293787870 1127521029 /nfs/dbraw/zinc/52/10/29/1127521029.db2.gz UAEZGQHEVKMFRH-AWEZNQCLSA-N 1 2 276.428 3.618 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000597229257 1127535199 /nfs/dbraw/zinc/53/51/99/1127535199.db2.gz KDELEXSTTXOOSS-SFHVURJKSA-N 1 2 284.403 3.744 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000597229257 1127535200 /nfs/dbraw/zinc/53/52/00/1127535200.db2.gz KDELEXSTTXOOSS-SFHVURJKSA-N 1 2 284.403 3.744 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000597230174 1127536085 /nfs/dbraw/zinc/53/60/85/1127536085.db2.gz QITUDSRHSKYPHB-GOSISDBHSA-N 1 2 284.403 3.744 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000597230174 1127536086 /nfs/dbraw/zinc/53/60/86/1127536086.db2.gz QITUDSRHSKYPHB-GOSISDBHSA-N 1 2 284.403 3.744 20 30 CHEDLO CCC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccn1 ZINC000602003357 1127556268 /nfs/dbraw/zinc/55/62/68/1127556268.db2.gz UMPUBBNGDLKXFA-MRXNPFEDSA-N 1 2 283.350 3.723 20 30 CHEDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CC3(CC#N)CC3)[nH]c2c1 ZINC000602828551 1127616215 /nfs/dbraw/zinc/61/62/15/1127616215.db2.gz OAXJVUHLPCUXPW-MRXNPFEDSA-N 1 2 294.402 3.702 20 30 CHEDLO Cc1ccc2nc([C@H]3CCC[N@H+]3CC3(CC#N)CC3)[nH]c2c1 ZINC000602828551 1127616217 /nfs/dbraw/zinc/61/62/17/1127616217.db2.gz OAXJVUHLPCUXPW-MRXNPFEDSA-N 1 2 294.402 3.702 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000295073807 1127618056 /nfs/dbraw/zinc/61/80/56/1127618056.db2.gz WUQIEPJNRKFVJV-CQSZACIVSA-N 1 2 285.416 3.516 20 30 CHEDLO CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)C[C@@H](C)C#N ZINC000602770909 1127613029 /nfs/dbraw/zinc/61/30/29/1127613029.db2.gz ZSMYHJHAXMMAPZ-ZDUSSCGKSA-N 1 2 283.375 3.632 20 30 CHEDLO CC[N@H+](Cc1oc(-c2ccccc2)nc1C)C[C@@H](C)C#N ZINC000602770909 1127613030 /nfs/dbraw/zinc/61/30/30/1127613030.db2.gz ZSMYHJHAXMMAPZ-ZDUSSCGKSA-N 1 2 283.375 3.632 20 30 CHEDLO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1C#N ZINC000599476687 1127674042 /nfs/dbraw/zinc/67/40/42/1127674042.db2.gz GCKDPWKWZRJVMU-SFHVURJKSA-N 1 2 291.398 3.845 20 30 CHEDLO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1C#N ZINC000599476687 1127674043 /nfs/dbraw/zinc/67/40/43/1127674043.db2.gz GCKDPWKWZRJVMU-SFHVURJKSA-N 1 2 291.398 3.845 20 30 CHEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)no1 ZINC000369001739 1127759121 /nfs/dbraw/zinc/75/91/21/1127759121.db2.gz NJOOSCRWCHTPLK-AWEZNQCLSA-N 1 2 290.411 3.625 20 30 CHEDLO Cc1nc([C@@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)no1 ZINC000369001739 1127759126 /nfs/dbraw/zinc/75/91/26/1127759126.db2.gz NJOOSCRWCHTPLK-AWEZNQCLSA-N 1 2 290.411 3.625 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)nc1 ZINC000594009096 1127769108 /nfs/dbraw/zinc/76/91/08/1127769108.db2.gz OKIQPMYTHNNVOY-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)nc1 ZINC000594009096 1127769111 /nfs/dbraw/zinc/76/91/11/1127769111.db2.gz OKIQPMYTHNNVOY-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C=CCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000371521558 1127769588 /nfs/dbraw/zinc/76/95/88/1127769588.db2.gz GMZFSWKBUUDZEF-UHFFFAOYSA-N 1 2 269.348 3.598 20 30 CHEDLO O=C1c2ccccc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000172586664 1127770393 /nfs/dbraw/zinc/77/03/93/1127770393.db2.gz XCLABYSHDHXZCZ-KAMYIIQDSA-N 1 2 274.323 3.547 20 30 CHEDLO Cc1cccn2c(/C=C3/Cc4cc(F)ccc4C3=O)c[nH+]c12 ZINC000172692137 1127778736 /nfs/dbraw/zinc/77/87/36/1127778736.db2.gz YRBKPQVFOAOHMD-LCYFTJDESA-N 1 2 292.313 3.604 20 30 CHEDLO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1csnn1 ZINC000411263517 1127850365 /nfs/dbraw/zinc/85/03/65/1127850365.db2.gz SVBBWFPQGPQMDB-LBPRGKRZSA-N 1 2 265.426 3.667 20 30 CHEDLO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1csnn1 ZINC000411263517 1127850367 /nfs/dbraw/zinc/85/03/67/1127850367.db2.gz SVBBWFPQGPQMDB-LBPRGKRZSA-N 1 2 265.426 3.667 20 30 CHEDLO N#CC1(CC[N@@H+]2CCO[C@@H](c3ccco3)C2)CCCCC1 ZINC000411319013 1127854486 /nfs/dbraw/zinc/85/44/86/1127854486.db2.gz ABNWIVWJJKOCAU-MRXNPFEDSA-N 1 2 288.391 3.517 20 30 CHEDLO N#CC1(CC[N@H+]2CCO[C@@H](c3ccco3)C2)CCCCC1 ZINC000411319013 1127854492 /nfs/dbraw/zinc/85/44/92/1127854492.db2.gz ABNWIVWJJKOCAU-MRXNPFEDSA-N 1 2 288.391 3.517 20 30 CHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+]([C@H](C)CCC#N)C2)c1 ZINC000411695874 1127868970 /nfs/dbraw/zinc/86/89/70/1127868970.db2.gz UALBYERNGPSAJV-CZUORRHYSA-N 1 2 278.346 3.697 20 30 CHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+]([C@H](C)CCC#N)C2)c1 ZINC000411695874 1127868971 /nfs/dbraw/zinc/86/89/71/1127868971.db2.gz UALBYERNGPSAJV-CZUORRHYSA-N 1 2 278.346 3.697 20 30 CHEDLO CCCC[N@H+](CC#N)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256824728 1127975196 /nfs/dbraw/zinc/97/51/96/1127975196.db2.gz PITIZACIHRETOQ-IRXDYDNUSA-N 1 2 272.392 3.532 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256824728 1127975199 /nfs/dbraw/zinc/97/51/99/1127975199.db2.gz PITIZACIHRETOQ-IRXDYDNUSA-N 1 2 272.392 3.532 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccccc1C)c1cccc(C#N)c1O ZINC000924561068 1128104227 /nfs/dbraw/zinc/10/42/27/1128104227.db2.gz QHWWQPZSQOCNPF-KRWDZBQOSA-N 1 2 280.371 3.813 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cccc(C)c1)c1cccc(C#N)c1O ZINC000924597343 1128106379 /nfs/dbraw/zinc/10/63/79/1128106379.db2.gz ISDQRJAKYTZZTG-QGZVFWFLSA-N 1 2 280.371 3.813 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccsc1)c1cccc(C#N)c1O ZINC000924664540 1128108698 /nfs/dbraw/zinc/10/86/98/1128108698.db2.gz DGIWEQZLDBPUBJ-AWEZNQCLSA-N 1 2 272.373 3.566 20 30 CHEDLO C[C@H](CC(C)(C)C#N)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000926060926 1128151586 /nfs/dbraw/zinc/15/15/86/1128151586.db2.gz QBWULECUGPXZML-GFCCVEGCSA-N 1 2 286.354 3.752 20 30 CHEDLO COc1cc(F)ccc1N[NH+]=C(C)c1ccc(N)cc1C ZINC000761885824 1128251919 /nfs/dbraw/zinc/25/19/19/1128251919.db2.gz UTHROMXNVIXWPB-UHFFFAOYSA-N 1 2 287.338 3.561 20 30 CHEDLO C=C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134928614 1128216294 /nfs/dbraw/zinc/21/62/94/1128216294.db2.gz KSOHUUJFHYBNDU-YUMQZZPRSA-N 1 2 288.160 3.519 20 30 CHEDLO C=CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000780471035 1128231935 /nfs/dbraw/zinc/23/19/35/1128231935.db2.gz ADRFMQNVUQATAC-ZBFHGGJFSA-N 1 2 275.392 3.577 20 30 CHEDLO C=CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000780471035 1128231940 /nfs/dbraw/zinc/23/19/40/1128231940.db2.gz ADRFMQNVUQATAC-ZBFHGGJFSA-N 1 2 275.392 3.577 20 30 CHEDLO C=CCSCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000781098552 1128281197 /nfs/dbraw/zinc/28/11/97/1128281197.db2.gz BMVXNSIRLZUPLL-ATVHPVEESA-N 1 2 271.385 3.884 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2Cl)s1 ZINC000916262480 1128414448 /nfs/dbraw/zinc/41/44/48/1128414448.db2.gz MLGNQFQQIFDGBI-UHFFFAOYSA-N 1 2 279.796 3.914 20 30 CHEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932150548 1128397028 /nfs/dbraw/zinc/39/70/28/1128397028.db2.gz TXPDWORELRGZFC-HNNXBMFYSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932150548 1128397032 /nfs/dbraw/zinc/39/70/32/1128397032.db2.gz TXPDWORELRGZFC-HNNXBMFYSA-N 1 2 272.392 3.599 20 30 CHEDLO Cc1cccc(C2=CC[N@H+](C[C@@H](C#N)CCC#N)CC2)c1C ZINC000934845945 1128470459 /nfs/dbraw/zinc/47/04/59/1128470459.db2.gz HGDVHOZETPYHPS-QGZVFWFLSA-N 1 2 293.414 3.836 20 30 CHEDLO Cc1cccc(C2=CC[N@@H+](C[C@@H](C#N)CCC#N)CC2)c1C ZINC000934845945 1128470461 /nfs/dbraw/zinc/47/04/61/1128470461.db2.gz HGDVHOZETPYHPS-QGZVFWFLSA-N 1 2 293.414 3.836 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)s1 ZINC000127647838 1128480787 /nfs/dbraw/zinc/48/07/87/1128480787.db2.gz JAVWTWSTEXQPLF-UHFFFAOYSA-N 1 2 250.411 3.781 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)s1 ZINC000127647838 1128480791 /nfs/dbraw/zinc/48/07/91/1128480791.db2.gz JAVWTWSTEXQPLF-UHFFFAOYSA-N 1 2 250.411 3.781 20 30 CHEDLO C=C[C@@H](CC)CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000935759884 1128501502 /nfs/dbraw/zinc/50/15/02/1128501502.db2.gz PPFIJCNULXZBSA-ZDUSSCGKSA-N 1 2 283.375 3.926 20 30 CHEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc(C#N)c1 ZINC000128916655 1128522492 /nfs/dbraw/zinc/52/24/92/1128522492.db2.gz FYOJUTPIEZKGHD-UHFFFAOYSA-N 1 2 294.333 3.679 20 30 CHEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)[C@H]1C#N ZINC000565932139 1128535147 /nfs/dbraw/zinc/53/51/47/1128535147.db2.gz QZLQTBMAHBDTLP-BBWFWOEESA-N 1 2 268.404 3.804 20 30 CHEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)[C@H]1C#N ZINC000565932139 1128535148 /nfs/dbraw/zinc/53/51/48/1128535148.db2.gz QZLQTBMAHBDTLP-BBWFWOEESA-N 1 2 268.404 3.804 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1snnc1C)c1ccc(F)c(F)c1 ZINC000569697932 1128607633 /nfs/dbraw/zinc/60/76/33/1128607633.db2.gz YOSOHEHDTMCCKL-CQSZACIVSA-N 1 2 295.358 3.532 20 30 CHEDLO N#C[C@H]1CC=C(Nc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001212862739 1128670636 /nfs/dbraw/zinc/67/06/36/1128670636.db2.gz RGCVQENUTANRDF-AWEZNQCLSA-N 1 2 278.359 3.551 20 30 CHEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CC=CCC2)c(O)c1 ZINC000920990843 1128696884 /nfs/dbraw/zinc/69/68/84/1128696884.db2.gz GAHBMSJTDDMYGA-LVLBFHFTSA-N 1 2 259.349 3.566 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCCOC2CCCCC2)c1 ZINC000072755455 1117813059 /nfs/dbraw/zinc/81/30/59/1117813059.db2.gz AFPGESDAUPQYJJ-QGOAFFKASA-N 1 2 291.391 3.559 20 30 CHEDLO C=CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000579826785 1117892916 /nfs/dbraw/zinc/89/29/16/1117892916.db2.gz QHCORKAOZAMXIH-UHFFFAOYSA-N 1 2 256.324 3.776 20 30 CHEDLO N#CCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339608461 1117914136 /nfs/dbraw/zinc/91/41/36/1117914136.db2.gz NVEVFENUYXBQLY-GOSISDBHSA-N 1 2 262.356 3.548 20 30 CHEDLO N#CCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339608461 1117914138 /nfs/dbraw/zinc/91/41/38/1117914138.db2.gz NVEVFENUYXBQLY-GOSISDBHSA-N 1 2 262.356 3.548 20 30 CHEDLO COc1ccc([C@H](C)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000180361048 1117928494 /nfs/dbraw/zinc/92/84/94/1117928494.db2.gz KGGGJPIZIOXBLO-CQSZACIVSA-N 1 2 272.392 3.567 20 30 CHEDLO COc1ccc([C@H](C)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000180361048 1117928497 /nfs/dbraw/zinc/92/84/97/1117928497.db2.gz KGGGJPIZIOXBLO-CQSZACIVSA-N 1 2 272.392 3.567 20 30 CHEDLO N#Cc1cccc(CCC[N@H+]2CCCCC(F)(F)C2)c1 ZINC001208845058 1117939332 /nfs/dbraw/zinc/93/93/32/1117939332.db2.gz OLGZJZIYAWDGCK-UHFFFAOYSA-N 1 2 278.346 3.612 20 30 CHEDLO N#Cc1cccc(CCC[N@@H+]2CCCCC(F)(F)C2)c1 ZINC001208845058 1117939336 /nfs/dbraw/zinc/93/93/36/1117939336.db2.gz OLGZJZIYAWDGCK-UHFFFAOYSA-N 1 2 278.346 3.612 20 30 CHEDLO C=CCN(Cc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001167126929 1118042364 /nfs/dbraw/zinc/04/23/64/1118042364.db2.gz XBBMOUKYUZLXTP-UHFFFAOYSA-N 1 2 279.387 3.855 20 30 CHEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)cc1Cl ZINC001209667999 1118085664 /nfs/dbraw/zinc/08/56/64/1118085664.db2.gz RSSGEOYDJRXGJZ-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)cc1Cl ZINC001209667999 1118085668 /nfs/dbraw/zinc/08/56/68/1118085668.db2.gz RSSGEOYDJRXGJZ-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO O=C1c2c(cc(Cl)cc2Cl)C/C1=C\c1[nH]cc[nH+]1 ZINC000764432344 1118091592 /nfs/dbraw/zinc/09/15/92/1118091592.db2.gz LMOQSPBAUODUJE-VMPITWQZSA-N 1 2 279.126 3.539 20 30 CHEDLO CNc1ccc(Nc2ccc(C#N)cc2C(F)(F)F)c[nH+]1 ZINC001203456576 1118142572 /nfs/dbraw/zinc/14/25/72/1118142572.db2.gz KQPHUIOJKUBMLQ-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO COc1cc(C#N)cc(Nc2ccc([NH+](C)C)c(C)c2)c1 ZINC001210044983 1118142795 /nfs/dbraw/zinc/14/27/95/1118142795.db2.gz QNKXCAQWYPDPFR-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO COc1cccc2c(NCc3ccc(C#N)cc3)cc[nH+]c12 ZINC000302445462 1118149245 /nfs/dbraw/zinc/14/92/45/1118149245.db2.gz NZYXPVHACYJOHN-UHFFFAOYSA-N 1 2 289.338 3.727 20 30 CHEDLO C=CCCCCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000683779663 1118359080 /nfs/dbraw/zinc/35/90/80/1118359080.db2.gz LOEFEZQTWATAKY-CQSZACIVSA-N 1 2 277.412 3.905 20 30 CHEDLO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000683779663 1118359083 /nfs/dbraw/zinc/35/90/83/1118359083.db2.gz LOEFEZQTWATAKY-CQSZACIVSA-N 1 2 277.412 3.905 20 30 CHEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000683801146 1118378078 /nfs/dbraw/zinc/37/80/78/1118378078.db2.gz BTAXQFQYIDSNKX-DTWKUNHWSA-N 1 2 276.327 3.614 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207112174 1118474387 /nfs/dbraw/zinc/47/43/87/1118474387.db2.gz GWRKBUWXXMMLRE-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207112174 1118474389 /nfs/dbraw/zinc/47/43/89/1118474389.db2.gz GWRKBUWXXMMLRE-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192602 1118483341 /nfs/dbraw/zinc/48/33/41/1118483341.db2.gz JBWPBTBPJZAKKH-HZPDHXFCSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000782192602 1118483342 /nfs/dbraw/zinc/48/33/42/1118483342.db2.gz JBWPBTBPJZAKKH-HZPDHXFCSA-N 1 2 274.795 3.953 20 30 CHEDLO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000334238099 1118547415 /nfs/dbraw/zinc/54/74/15/1118547415.db2.gz JISCKGHROBQMOY-UHFFFAOYSA-N 1 2 295.411 3.613 20 30 CHEDLO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000334238099 1118547416 /nfs/dbraw/zinc/54/74/16/1118547416.db2.gz JISCKGHROBQMOY-UHFFFAOYSA-N 1 2 295.411 3.613 20 30 CHEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000068612158 1128787388 /nfs/dbraw/zinc/78/73/88/1128787388.db2.gz KHZOGHFYRYBCEM-HNNXBMFYSA-N 1 2 280.371 3.657 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@H]1c1cccnc1 ZINC000335323519 1118620567 /nfs/dbraw/zinc/62/05/67/1118620567.db2.gz ZAOUCZJWUQQMMF-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@H]1c1cccnc1 ZINC000335323519 1118620568 /nfs/dbraw/zinc/62/05/68/1118620568.db2.gz ZAOUCZJWUQQMMF-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1N)C[C@H](C)C#N ZINC000381164941 1118670078 /nfs/dbraw/zinc/67/00/78/1118670078.db2.gz AAXWCGPDBRURFJ-SECBINFHSA-N 1 2 286.206 3.557 20 30 CHEDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1N)C[C@H](C)C#N ZINC000381164941 1118670076 /nfs/dbraw/zinc/67/00/76/1118670076.db2.gz AAXWCGPDBRURFJ-SECBINFHSA-N 1 2 286.206 3.557 20 30 CHEDLO CCC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000834998340 1118742064 /nfs/dbraw/zinc/74/20/64/1118742064.db2.gz FYJUCWYYMHCJLU-SSDOTTSWSA-N 1 2 293.720 3.577 20 30 CHEDLO C=C(Br)C[N@H+](Cc1cccs1)C(C)C ZINC000308617989 1118743277 /nfs/dbraw/zinc/74/32/77/1118743277.db2.gz RXUFSSFKNRPXHQ-UHFFFAOYSA-N 1 2 274.227 3.867 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1cccs1)C(C)C ZINC000308617989 1118743281 /nfs/dbraw/zinc/74/32/81/1118743281.db2.gz RXUFSSFKNRPXHQ-UHFFFAOYSA-N 1 2 274.227 3.867 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000891805348 1118785070 /nfs/dbraw/zinc/78/50/70/1118785070.db2.gz HYJOYOKUQKXGDP-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000891805348 1118785071 /nfs/dbraw/zinc/78/50/71/1118785071.db2.gz HYJOYOKUQKXGDP-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO CC[N@@H+](Cc1ccc(-c2ccccc2)o1)C[C@@H](C)C#N ZINC000091982237 1118837548 /nfs/dbraw/zinc/83/75/48/1118837548.db2.gz KEKVODRWGHVFBR-AWEZNQCLSA-N 1 2 268.360 3.928 20 30 CHEDLO CC[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@@H](C)C#N ZINC000091982237 1118837555 /nfs/dbraw/zinc/83/75/55/1118837555.db2.gz KEKVODRWGHVFBR-AWEZNQCLSA-N 1 2 268.360 3.928 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000610719850 1118840897 /nfs/dbraw/zinc/84/08/97/1118840897.db2.gz YQSKJJHFOPKPER-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000610719850 1118840901 /nfs/dbraw/zinc/84/09/01/1118840901.db2.gz YQSKJJHFOPKPER-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891934479 1118854672 /nfs/dbraw/zinc/85/46/72/1118854672.db2.gz UKHXMZOOULXWBB-CQSZACIVSA-N 1 2 281.359 3.608 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891934479 1118854679 /nfs/dbraw/zinc/85/46/79/1118854679.db2.gz UKHXMZOOULXWBB-CQSZACIVSA-N 1 2 281.359 3.608 20 30 CHEDLO C=C(C)COCCNc1[nH+]c2ccccc2cc1C ZINC000133216974 1118861815 /nfs/dbraw/zinc/86/18/15/1118861815.db2.gz GTSHFGZERJJWGE-UHFFFAOYSA-N 1 2 256.349 3.548 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610966927 1118914013 /nfs/dbraw/zinc/91/40/13/1118914013.db2.gz GGSDLYFTKJFXLQ-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610966927 1118914015 /nfs/dbraw/zinc/91/40/15/1118914015.db2.gz GGSDLYFTKJFXLQ-KRWDZBQOSA-N 1 2 296.345 3.653 20 30 CHEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000610989109 1118917522 /nfs/dbraw/zinc/91/75/22/1118917522.db2.gz FJNKPGRYBOKIPA-GOEBONIOSA-N 1 2 267.376 3.513 20 30 CHEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000610989109 1118917524 /nfs/dbraw/zinc/91/75/24/1118917524.db2.gz FJNKPGRYBOKIPA-GOEBONIOSA-N 1 2 267.376 3.513 20 30 CHEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000127508186 1119064148 /nfs/dbraw/zinc/06/41/48/1119064148.db2.gz AUQKEQNTPOTDLE-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000127508186 1119064152 /nfs/dbraw/zinc/06/41/52/1119064152.db2.gz AUQKEQNTPOTDLE-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nc1C(F)(F)F ZINC000934461513 1119078018 /nfs/dbraw/zinc/07/80/18/1119078018.db2.gz MSBRHCUGYCGMNV-SNVBAGLBSA-N 1 2 290.716 3.904 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nc1C(F)(F)F ZINC000934461513 1119078022 /nfs/dbraw/zinc/07/80/22/1119078022.db2.gz MSBRHCUGYCGMNV-SNVBAGLBSA-N 1 2 290.716 3.904 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCc1cscn1 ZINC000255526782 1119161003 /nfs/dbraw/zinc/16/10/03/1119161003.db2.gz FZHRFPLZZHBGHD-MFOYZWKCSA-N 1 2 282.368 3.664 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCCCCC1 ZINC000119136404 1119205436 /nfs/dbraw/zinc/20/54/36/1119205436.db2.gz UUONTYKERPFARQ-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCCCCC1 ZINC000119136404 1119205437 /nfs/dbraw/zinc/20/54/37/1119205437.db2.gz UUONTYKERPFARQ-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO CC(C)[C@H](C#N)c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167617228 1119214260 /nfs/dbraw/zinc/21/42/60/1119214260.db2.gz XAUPKOJCXVKDJH-INIZCTEOSA-N 1 2 280.375 3.539 20 30 CHEDLO N#Cc1nc(Cl)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085691 1119224247 /nfs/dbraw/zinc/22/42/47/1119224247.db2.gz RUIOQTFQLGKNCQ-UHFFFAOYSA-N 1 2 295.733 3.740 20 30 CHEDLO C=C(C)COc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000583333338 1119341357 /nfs/dbraw/zinc/34/13/57/1119341357.db2.gz LWVOZWPLNGMGCK-UHFFFAOYSA-N 1 2 271.364 3.594 20 30 CHEDLO O=C1c2ccc(Cl)cc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000255568618 1119369152 /nfs/dbraw/zinc/36/91/52/1119369152.db2.gz FGGINPPGZHZOEV-FMIVXFBMSA-N 1 2 294.741 3.810 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052441324 1119378019 /nfs/dbraw/zinc/37/80/19/1119378019.db2.gz LLLSQYMDGZJDHF-NSHDSACASA-N 1 2 272.211 3.794 20 30 CHEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052441324 1119378021 /nfs/dbraw/zinc/37/80/21/1119378021.db2.gz LLLSQYMDGZJDHF-NSHDSACASA-N 1 2 272.211 3.794 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccccc2)c1 ZINC000157807196 1119419923 /nfs/dbraw/zinc/41/99/23/1119419923.db2.gz SWHUEGOKGHEQFH-UHFFFAOYSA-N 1 2 250.345 3.699 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccccc2)c1 ZINC000157807196 1119419926 /nfs/dbraw/zinc/41/99/26/1119419926.db2.gz SWHUEGOKGHEQFH-UHFFFAOYSA-N 1 2 250.345 3.699 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000584030388 1119462813 /nfs/dbraw/zinc/46/28/13/1119462813.db2.gz JJHVSOUXRMZWSM-UHFFFAOYSA-N 1 2 288.297 3.618 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255598645 1119595537 /nfs/dbraw/zinc/59/55/37/1119595537.db2.gz FMQNDHUPJGYPKG-KTKRTIGZSA-N 1 2 262.312 3.539 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(F)cc1F ZINC000255644253 1119686197 /nfs/dbraw/zinc/68/61/97/1119686197.db2.gz XMBIVVMEVJPYMU-ALCCZGGFSA-N 1 2 284.265 3.509 20 30 CHEDLO C[N@H+](Cc1cccc(O)c1)Cc1cccc(C#N)c1Cl ZINC001140807522 1119955981 /nfs/dbraw/zinc/95/59/81/1119955981.db2.gz BMUPPBSFWDKIOV-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cccc(C#N)c1Cl ZINC001140807522 1119955984 /nfs/dbraw/zinc/95/59/84/1119955984.db2.gz BMUPPBSFWDKIOV-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC000903100798 1120068977 /nfs/dbraw/zinc/06/89/77/1120068977.db2.gz YLAIMBSHTLPZLY-VIFPVBQESA-N 1 2 286.297 3.627 20 30 CHEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000069610432 1128889240 /nfs/dbraw/zinc/88/92/40/1128889240.db2.gz RDSORRGKTKMUBY-ZDUSSCGKSA-N 1 2 296.208 3.741 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000069610432 1128889243 /nfs/dbraw/zinc/88/92/43/1128889243.db2.gz RDSORRGKTKMUBY-ZDUSSCGKSA-N 1 2 296.208 3.741 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H]1CCc2ccc(Cl)cc21 ZINC000428840813 1120196564 /nfs/dbraw/zinc/19/65/64/1120196564.db2.gz OJPTZIBAICDIOL-OAHLLOKOSA-N 1 2 260.768 3.729 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H]1CCc2ccc(Cl)cc21 ZINC000428840813 1120196567 /nfs/dbraw/zinc/19/65/67/1120196567.db2.gz OJPTZIBAICDIOL-OAHLLOKOSA-N 1 2 260.768 3.729 20 30 CHEDLO Cc1cc(NCc2csc(C#N)c2)ccc1[NH+](C)C ZINC000921875209 1120261249 /nfs/dbraw/zinc/26/12/49/1120261249.db2.gz GEPILZDGUIWWKL-UHFFFAOYSA-N 1 2 271.389 3.606 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000921934500 1120289346 /nfs/dbraw/zinc/28/93/46/1120289346.db2.gz DVQHEMMPRDWVFK-HNNXBMFYSA-N 1 2 282.387 3.826 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H]1CCCc2ccc(F)cc21 ZINC000428860280 1120540796 /nfs/dbraw/zinc/54/07/96/1120540796.db2.gz FPTNEFHQLLSZHT-INIZCTEOSA-N 1 2 258.340 3.605 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H]1CCCc2ccc(F)cc21 ZINC000428860280 1120540800 /nfs/dbraw/zinc/54/08/00/1120540800.db2.gz FPTNEFHQLLSZHT-INIZCTEOSA-N 1 2 258.340 3.605 20 30 CHEDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000629711345 1128928548 /nfs/dbraw/zinc/92/85/48/1128928548.db2.gz FABIGNQBVLTIIR-LJQANCHMSA-N 1 2 290.366 3.561 20 30 CHEDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000629711345 1128928549 /nfs/dbraw/zinc/92/85/49/1128928549.db2.gz FABIGNQBVLTIIR-LJQANCHMSA-N 1 2 290.366 3.561 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCCC#N ZINC000111309946 1120635531 /nfs/dbraw/zinc/63/55/31/1120635531.db2.gz SHKLNCJBORZXEE-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCCC#N ZINC000111309946 1120635532 /nfs/dbraw/zinc/63/55/32/1120635532.db2.gz SHKLNCJBORZXEE-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO C=CC[N@H+](Cc1noc(-c2ccccc2)n1)C(C)(C)C ZINC000661754736 1120810622 /nfs/dbraw/zinc/81/06/22/1120810622.db2.gz CNUBSWYVFZQNCD-UHFFFAOYSA-N 1 2 271.364 3.523 20 30 CHEDLO C=CC[N@@H+](Cc1noc(-c2ccccc2)n1)C(C)(C)C ZINC000661754736 1120810626 /nfs/dbraw/zinc/81/06/26/1120810626.db2.gz CNUBSWYVFZQNCD-UHFFFAOYSA-N 1 2 271.364 3.523 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccnc(Cl)c3)c[nH+]c12 ZINC000779460690 1128953893 /nfs/dbraw/zinc/95/38/93/1128953893.db2.gz RYFSKMUXHDHWCD-PLNGDYQASA-N 1 2 297.745 3.587 20 30 CHEDLO C=C(CC)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC001175080525 1121175146 /nfs/dbraw/zinc/17/51/46/1121175146.db2.gz YSEKWNKSTPALRD-UHFFFAOYSA-N 1 2 298.199 3.913 20 30 CHEDLO C=C(CC)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC001175080525 1121175149 /nfs/dbraw/zinc/17/51/49/1121175149.db2.gz YSEKWNKSTPALRD-UHFFFAOYSA-N 1 2 298.199 3.913 20 30 CHEDLO Fc1ccc2c(c1)CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001307590824 1121229005 /nfs/dbraw/zinc/22/90/05/1121229005.db2.gz BZNFFIPKCBYJOJ-UHFFFAOYSA-N 1 2 299.776 3.889 20 30 CHEDLO Fc1ccc2c(c1)CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001307590824 1121229012 /nfs/dbraw/zinc/22/90/12/1121229012.db2.gz BZNFFIPKCBYJOJ-UHFFFAOYSA-N 1 2 299.776 3.889 20 30 CHEDLO Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC001175349726 1121292134 /nfs/dbraw/zinc/29/21/34/1121292134.db2.gz CXCPZNSWLMTZCZ-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351832 1121294023 /nfs/dbraw/zinc/29/40/23/1121294023.db2.gz VVFUKPAGVMOXSP-UHFFFAOYSA-N 1 2 292.386 3.859 20 30 CHEDLO C#Cc1cc(Nc2ccc3[nH]c4ccccc4c3c2)cc[nH+]1 ZINC001175853998 1121481986 /nfs/dbraw/zinc/48/19/86/1121481986.db2.gz UKCCMGKXJJHHTA-UHFFFAOYSA-N 1 2 283.334 3.863 20 30 CHEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000614179249 1121505299 /nfs/dbraw/zinc/50/52/99/1121505299.db2.gz LLFJTRULXJOMCC-SECBINFHSA-N 1 2 289.766 3.667 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000411165975 1121529254 /nfs/dbraw/zinc/52/92/54/1121529254.db2.gz RCLMDBOGTDFUEJ-ZDUSSCGKSA-N 1 2 292.810 3.649 20 30 CHEDLO C=C(C)CNc1ccc(C2(C(F)(F)F)CC2)c[nH+]1 ZINC001163375971 1121553344 /nfs/dbraw/zinc/55/33/44/1121553344.db2.gz PYVRCKBLKKIYSS-UHFFFAOYSA-N 1 2 256.271 3.664 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C(C)C)cc1C#N ZINC001176123921 1121558811 /nfs/dbraw/zinc/55/88/11/1121558811.db2.gz XLLTYRKHJBLQAO-UHFFFAOYSA-N 1 2 267.332 3.829 20 30 CHEDLO COc1cc[nH+]cc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001176124432 1121560980 /nfs/dbraw/zinc/56/09/80/1121560980.db2.gz NTLOBECOYAZWAN-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccco1 ZINC000671749721 1121599468 /nfs/dbraw/zinc/59/94/68/1121599468.db2.gz LQAHMNIJQOZPMB-CYBMUJFWSA-N 1 2 291.420 3.599 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000619535432 1128996223 /nfs/dbraw/zinc/99/62/23/1128996223.db2.gz AWSUSHIWIDGFPB-UHFFFAOYSA-N 1 2 292.810 3.768 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300904 1121640896 /nfs/dbraw/zinc/64/08/96/1121640896.db2.gz FOTIGKSRTLIOSO-DZGCQCFKSA-N 1 2 287.794 3.573 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300904 1121640899 /nfs/dbraw/zinc/64/08/99/1121640899.db2.gz FOTIGKSRTLIOSO-DZGCQCFKSA-N 1 2 287.794 3.573 20 30 CHEDLO CC(C)n1ccnc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611406960 1121645166 /nfs/dbraw/zinc/64/51/66/1121645166.db2.gz ITQNOQGBCWHCAQ-MRXNPFEDSA-N 1 2 282.391 3.599 20 30 CHEDLO Cc1nc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)s1 ZINC000611442791 1121649069 /nfs/dbraw/zinc/64/90/69/1121649069.db2.gz ZEPRZPNEWGVSDW-NSHDSACASA-N 1 2 297.427 3.972 20 30 CHEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(C)cn2)cc1 ZINC000727259848 1121709351 /nfs/dbraw/zinc/70/93/51/1121709351.db2.gz LUDJSPNHKOMDOW-UHFFFAOYSA-N 1 2 282.391 3.682 20 30 CHEDLO CCc1ccc(C)[nH+]c1Nc1ccc(OC)cc1C#N ZINC001212779082 1121791043 /nfs/dbraw/zinc/79/10/43/1121791043.db2.gz SBAMQLBFUBXTIB-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO CCOc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147947 1121794691 /nfs/dbraw/zinc/79/46/91/1121794691.db2.gz LCZWMGMPGKZXAQ-UHFFFAOYSA-N 1 2 291.354 3.501 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(C)c1 ZINC000730147969 1121795035 /nfs/dbraw/zinc/79/50/35/1121795035.db2.gz LQNGDJIHZCFTHX-UHFFFAOYSA-N 1 2 275.355 3.801 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(F)ccc1F ZINC000730147843 1121795134 /nfs/dbraw/zinc/79/51/34/1121795134.db2.gz UUGVEWYUBSFONW-UHFFFAOYSA-N 1 2 297.308 3.771 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cs1 ZINC000619755311 1129010723 /nfs/dbraw/zinc/01/07/23/1129010723.db2.gz WRZCAWOKOXESMU-SECBINFHSA-N 1 2 291.807 3.827 20 30 CHEDLO C=C1CC[NH+](CC(=O)Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000731032241 1121844601 /nfs/dbraw/zinc/84/46/01/1121844601.db2.gz FUOQEVNOGIAFNR-HNNXBMFYSA-N 1 2 286.419 3.791 20 30 CHEDLO N#Cc1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)cs1 ZINC001179401722 1121873595 /nfs/dbraw/zinc/87/35/95/1121873595.db2.gz JBMYZBDUGRUPRN-CQSZACIVSA-N 1 2 278.327 3.559 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280319644 1121886250 /nfs/dbraw/zinc/88/62/50/1121886250.db2.gz UTKYEZXMOTWTNI-CYBMUJFWSA-N 1 2 283.375 3.926 20 30 CHEDLO CC(C)c1cnc(C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000182987082 1129016329 /nfs/dbraw/zinc/01/63/29/1129016329.db2.gz GMKKFHWEAGACLO-UHFFFAOYSA-N 1 2 285.416 3.770 20 30 CHEDLO CC(C)c1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000182987082 1129016334 /nfs/dbraw/zinc/01/63/34/1129016334.db2.gz GMKKFHWEAGACLO-UHFFFAOYSA-N 1 2 285.416 3.770 20 30 CHEDLO C=CC[N@@H+](CCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000345546199 1121893410 /nfs/dbraw/zinc/89/34/10/1121893410.db2.gz RLIAAWWWRXKSLO-UHFFFAOYSA-N 1 2 295.839 3.595 20 30 CHEDLO C=CC[N@H+](CCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000345546199 1121893420 /nfs/dbraw/zinc/89/34/20/1121893420.db2.gz RLIAAWWWRXKSLO-UHFFFAOYSA-N 1 2 295.839 3.595 20 30 CHEDLO CCCCCCCCC[C@@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001258229899 1129042594 /nfs/dbraw/zinc/04/25/94/1129042594.db2.gz QIEVZELSRDLWCZ-CQSZACIVSA-N 1 2 269.429 3.811 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000514113447 1122377962 /nfs/dbraw/zinc/37/79/62/1122377962.db2.gz UDKGMBQETVYPGY-UHFFFAOYSA-N 1 2 293.414 3.535 20 30 CHEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000775152506 1122446313 /nfs/dbraw/zinc/44/63/13/1122446313.db2.gz NHZDXKUMDSEOTM-GHMZBOCLSA-N 1 2 298.224 3.845 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001193919971 1122729959 /nfs/dbraw/zinc/72/99/59/1122729959.db2.gz IEKKQGSAWRUBKN-GFCCVEGCSA-N 1 2 290.476 3.847 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001193919971 1122729962 /nfs/dbraw/zinc/72/99/62/1122729962.db2.gz IEKKQGSAWRUBKN-GFCCVEGCSA-N 1 2 290.476 3.847 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195305818 1122862515 /nfs/dbraw/zinc/86/25/15/1122862515.db2.gz GSIZVEMOOJAWOI-IAGOWNOFSA-N 1 2 254.377 3.763 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195305818 1122862518 /nfs/dbraw/zinc/86/25/18/1122862518.db2.gz GSIZVEMOOJAWOI-IAGOWNOFSA-N 1 2 254.377 3.763 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Cl)cc1 ZINC000894551914 1122872346 /nfs/dbraw/zinc/87/23/46/1122872346.db2.gz BCHBJKMVTDPEFW-QGZVFWFLSA-N 1 2 299.805 3.726 20 30 CHEDLO COc1cc(C)ccc1Oc1ccccc1C[NH2+]CCC#N ZINC000894581232 1122876380 /nfs/dbraw/zinc/87/63/80/1122876380.db2.gz ZPFAIWYFPDRNPH-UHFFFAOYSA-N 1 2 296.370 3.799 20 30 CHEDLO N#CCCC[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000340448407 1123145725 /nfs/dbraw/zinc/14/57/25/1123145725.db2.gz SMPKXCGBSNDLQM-SJORKVTESA-N 1 2 294.402 3.812 20 30 CHEDLO C#CCCCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000779770524 1129104494 /nfs/dbraw/zinc/10/44/94/1129104494.db2.gz FOXIZMPZHJSSOY-UHFFFAOYSA-N 1 2 258.365 3.529 20 30 CHEDLO N#CCC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335484778 1123376997 /nfs/dbraw/zinc/37/69/97/1123376997.db2.gz UYQMSWOHUHCANU-UHFFFAOYSA-N 1 2 269.323 3.504 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccsc2Cl)CC1 ZINC000335692137 1123395850 /nfs/dbraw/zinc/39/58/50/1123395850.db2.gz VMBGUBIQVOOCNH-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686595 1123413240 /nfs/dbraw/zinc/41/32/40/1123413240.db2.gz JEANZHURMPEGIE-LSDHHAIUSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686595 1123413242 /nfs/dbraw/zinc/41/32/42/1123413242.db2.gz JEANZHURMPEGIE-LSDHHAIUSA-N 1 2 260.768 3.563 20 30 CHEDLO CC(C)c1[nH+]c(C=NN2CCCC[C@H]2C)c2ccccn21 ZINC000853379248 1123437057 /nfs/dbraw/zinc/43/70/57/1123437057.db2.gz HHPMYVOZWAWWHZ-CQSZACIVSA-N 1 2 284.407 3.666 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC[C@H](SC)C1 ZINC000853386221 1123438602 /nfs/dbraw/zinc/43/86/02/1123438602.db2.gz YLTWDPPNBYCUSA-KBPBESRZSA-N 1 2 290.432 3.570 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCCCC(C)(F)F ZINC000853650536 1123446105 /nfs/dbraw/zinc/44/61/05/1123446105.db2.gz HSNRNAGZNOALPA-UHFFFAOYSA-N 1 2 282.334 3.721 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(CC)s1)Cc1ccccc1 ZINC000346187487 1123668244 /nfs/dbraw/zinc/66/82/44/1123668244.db2.gz WUHNIAUFIFCNNV-UHFFFAOYSA-N 1 2 272.417 3.894 20 30 CHEDLO C=CC[N@H+](Cc1ncc(CC)s1)Cc1ccccc1 ZINC000346187487 1123668249 /nfs/dbraw/zinc/66/82/49/1123668249.db2.gz WUHNIAUFIFCNNV-UHFFFAOYSA-N 1 2 272.417 3.894 20 30 CHEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000118169851 1123775670 /nfs/dbraw/zinc/77/56/70/1123775670.db2.gz ZHJGOPMNJGFVEC-ZKKVJJGYSA-N 1 2 275.392 3.652 20 30 CHEDLO Cc1cc(C[NH2+]CC(C)(C)C#N)c(Br)cc1F ZINC000862324659 1123800572 /nfs/dbraw/zinc/80/05/72/1123800572.db2.gz REZRECWUGKNPNR-UHFFFAOYSA-N 1 2 299.187 3.536 20 30 CHEDLO CC[C@@H](C)c1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000863197966 1123851330 /nfs/dbraw/zinc/85/13/30/1123851330.db2.gz ZGFZDAQUZJDWED-IDVQTMNDSA-N 1 2 254.333 3.819 20 30 CHEDLO COC(=O)C(C)(C)CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000794680559 1123926472 /nfs/dbraw/zinc/92/64/72/1123926472.db2.gz PGYNZEFSAQOKOS-UNOMPAQXSA-N 1 2 299.370 3.554 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000794744438 1123944074 /nfs/dbraw/zinc/94/40/74/1123944074.db2.gz IYAVVNNLYNYGJY-HNNXBMFYSA-N 1 2 260.768 3.729 20 30 CHEDLO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214423 1124038185 /nfs/dbraw/zinc/03/81/85/1124038185.db2.gz CEHLVGQOQVFWNI-STQMWFEESA-N 1 2 284.359 3.529 20 30 CHEDLO C#CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC000866309755 1124050475 /nfs/dbraw/zinc/05/04/75/1124050475.db2.gz AZAIMINYKXNWKJ-ZIFCJYIRSA-N 1 2 295.357 3.812 20 30 CHEDLO N#Cc1cc(C(F)(F)F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001238844113 1131255448 /nfs/dbraw/zinc/25/54/48/1131255448.db2.gz UQKYBBQJTVEWGS-UHFFFAOYSA-N 1 2 287.244 3.892 20 30 CHEDLO Cc1ccc(C)c2c1OC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC001119598168 1131258852 /nfs/dbraw/zinc/25/88/52/1131258852.db2.gz WQNBRNXINBOSER-AUWJEWJLSA-N 1 2 296.370 3.740 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1ocnc1C)c1ccc(F)c(F)c1 ZINC001119605495 1131259937 /nfs/dbraw/zinc/25/99/37/1131259937.db2.gz UDMPNGJOWYLKDW-HNNXBMFYSA-N 1 2 278.302 3.668 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(N)cc1Cl ZINC000782901752 1131263992 /nfs/dbraw/zinc/26/39/92/1131263992.db2.gz PGISQAAGBFGZKJ-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CC2(c3ccccc3)CC2)c(O)c1 ZINC000022690399 1124495673 /nfs/dbraw/zinc/49/56/73/1124495673.db2.gz UONDEVNPOWDYLF-DEDYPNTBSA-N 1 2 295.382 3.942 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000447924820 1124546194 /nfs/dbraw/zinc/54/61/94/1124546194.db2.gz XOAUIRBNNYMWJK-OWSLCNJRSA-N 1 2 290.451 3.740 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)C1 ZINC000447924820 1124546203 /nfs/dbraw/zinc/54/62/03/1124546203.db2.gz XOAUIRBNNYMWJK-OWSLCNJRSA-N 1 2 290.451 3.740 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(O)ccc1F ZINC000872087454 1124680506 /nfs/dbraw/zinc/68/05/06/1124680506.db2.gz DZRPKSGPCGFQTR-GFCCVEGCSA-N 1 2 276.355 3.656 20 30 CHEDLO C=CC(C)(C)CCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000872102183 1124682793 /nfs/dbraw/zinc/68/27/93/1124682793.db2.gz PXYWJGFAWKEGDV-ZDUSSCGKSA-N 1 2 290.436 3.538 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(F)cc1 ZINC000820599032 1131296149 /nfs/dbraw/zinc/29/61/49/1131296149.db2.gz OBGLFSQLSGTAHW-UHFFFAOYSA-N 1 2 284.334 3.625 20 30 CHEDLO Nc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)c[nH+]1 ZINC000821021575 1131314484 /nfs/dbraw/zinc/31/44/84/1131314484.db2.gz IQCDCEKZFSEADI-UITAMQMPSA-N 1 2 274.323 3.713 20 30 CHEDLO CCCCCCCCCOC(=O)Nc1cc[nH+]c(N)c1 ZINC001239311170 1131314598 /nfs/dbraw/zinc/31/45/98/1131314598.db2.gz HZXRHNRZNLLDKQ-UHFFFAOYSA-N 1 2 279.384 3.963 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccccc3)c[nH+]c12 ZINC000125211242 1124870724 /nfs/dbraw/zinc/87/07/24/1124870724.db2.gz IYRGJIQUBCJSPQ-MDZDMXLPSA-N 1 2 262.312 3.539 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(F)cc3)c[nH+]c12 ZINC000125220000 1124871088 /nfs/dbraw/zinc/87/10/88/1124871088.db2.gz LIFOOPUPLSWUCG-CMDGGOBGSA-N 1 2 280.302 3.678 20 30 CHEDLO CC(C)Oc1ccc2[nH+]ccc(N(C)C[C@@H](C)C#N)c2c1 ZINC000450259691 1124958939 /nfs/dbraw/zinc/95/89/39/1124958939.db2.gz XPLDCWDVINERDL-ZDUSSCGKSA-N 1 2 283.375 3.618 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)Cc2ccccc21 ZINC000876542973 1124959611 /nfs/dbraw/zinc/95/96/11/1124959611.db2.gz BSMSFQQKOUNJIZ-LBPRGKRZSA-N 1 2 297.789 3.726 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)Cc2ccccc21 ZINC000876542973 1124959614 /nfs/dbraw/zinc/95/96/14/1124959614.db2.gz BSMSFQQKOUNJIZ-LBPRGKRZSA-N 1 2 297.789 3.726 20 30 CHEDLO C=C1CC[NH+](Cc2ccsc2Br)CC1 ZINC000529527308 1124986893 /nfs/dbraw/zinc/98/68/93/1124986893.db2.gz AXCNOWXSOPPNAC-UHFFFAOYSA-N 1 2 272.211 3.663 20 30 CHEDLO N#CCCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450432638 1125021803 /nfs/dbraw/zinc/02/18/03/1125021803.db2.gz BDXVUPDHPCYBPG-UHFFFAOYSA-N 1 2 279.265 3.969 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)c(Br)s1)C(C)C ZINC000877975727 1125108571 /nfs/dbraw/zinc/10/85/71/1125108571.db2.gz JFXGJRJHRUZOIG-UHFFFAOYSA-N 1 2 289.242 3.610 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)c(Br)s1)C(C)C ZINC000877975727 1125108574 /nfs/dbraw/zinc/10/85/74/1125108574.db2.gz JFXGJRJHRUZOIG-UHFFFAOYSA-N 1 2 289.242 3.610 20 30 CHEDLO CCOc1cc(Nc2ccc(C#N)c(F)c2)cc(C)[nH+]1 ZINC001204054360 1131340808 /nfs/dbraw/zinc/34/08/08/1131340808.db2.gz RGBFMVUMTZPXHC-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO C=CCCSCC/[NH+]=C/c1ccc(OCC)cc1O ZINC000849170473 1125298022 /nfs/dbraw/zinc/29/80/22/1125298022.db2.gz PSKMKOUWTHJGRL-FOWTUZBSSA-N 1 2 279.405 3.519 20 30 CHEDLO O=C1c2cccc(Cl)c2C/C1=C/c1c[nH+]c2ccccn12 ZINC000740765242 1125312971 /nfs/dbraw/zinc/31/29/71/1125312971.db2.gz SWFOBLXJQNTDBT-FLIBITNWSA-N 1 2 294.741 3.810 20 30 CHEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)oc1C ZINC000063750281 1125318367 /nfs/dbraw/zinc/31/83/67/1125318367.db2.gz FGAXQZLCROTUGO-UHFFFAOYSA-N 1 2 283.375 3.574 20 30 CHEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)oc1C ZINC000063750281 1125318371 /nfs/dbraw/zinc/31/83/71/1125318371.db2.gz FGAXQZLCROTUGO-UHFFFAOYSA-N 1 2 283.375 3.574 20 30 CHEDLO CC([NH2+]Nc1ccc(F)c(F)c1F)=C1CC1(F)F ZINC000841641620 1125339743 /nfs/dbraw/zinc/33/97/43/1125339743.db2.gz YGOCQKBEAODAIF-ZCFIWIBFSA-N 1 2 264.197 3.547 20 30 CHEDLO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000883274710 1125390786 /nfs/dbraw/zinc/39/07/86/1125390786.db2.gz RZKRDZSDEHLMMM-YPMHNXCESA-N 1 2 294.345 3.740 20 30 CHEDLO N#CCCCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000104724915 1125410728 /nfs/dbraw/zinc/41/07/28/1125410728.db2.gz ZLZOAWOWTPAWPQ-UHFFFAOYSA-N 1 2 287.794 3.873 20 30 CHEDLO N#CCCCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000104724915 1125410733 /nfs/dbraw/zinc/41/07/33/1125410733.db2.gz ZLZOAWOWTPAWPQ-UHFFFAOYSA-N 1 2 287.794 3.873 20 30 CHEDLO O=C1c2ccccc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000133157351 1125434421 /nfs/dbraw/zinc/43/44/21/1125434421.db2.gz XCLABYSHDHXZCZ-SDNWHVSQSA-N 1 2 274.323 3.547 20 30 CHEDLO CCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000133171963 1125435016 /nfs/dbraw/zinc/43/50/16/1125435016.db2.gz AYDQQDFJQBQLCO-DHZHZOJOSA-N 1 2 292.338 3.629 20 30 CHEDLO COc1ccsc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000184767554 1129248945 /nfs/dbraw/zinc/24/89/45/1129248945.db2.gz VAERLQIBUCHQOV-SNAWJCMRSA-N 1 2 298.367 3.609 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2cccc(C)c2)c1O ZINC000741165940 1129430992 /nfs/dbraw/zinc/43/09/92/1129430992.db2.gz UBKKVYPXEUGLPN-BXUJETTOSA-N 1 2 283.371 3.932 20 30 CHEDLO Cc1cccc([C@@H](C)C/[NH+]=C\c2ccccc2O)c1 ZINC000741165511 1129431058 /nfs/dbraw/zinc/43/10/58/1129431058.db2.gz NDLCEZNTKPUVDN-HIXWQLQUSA-N 1 2 253.345 3.923 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc2ccccc2n1 ZINC000741464099 1129436884 /nfs/dbraw/zinc/43/68/84/1129436884.db2.gz LXOFTFWOOAIQDA-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO COc1ccc([C@@H](C)CC/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000741465382 1129437068 /nfs/dbraw/zinc/43/70/68/1129437068.db2.gz VCAAAIDJZQCIKS-HCZVKUGISA-N 1 2 299.370 3.719 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccccc1 ZINC000737442282 1129447860 /nfs/dbraw/zinc/44/78/60/1129447860.db2.gz BEHUPRRMHCYWKQ-FPLPWBNLSA-N 1 2 282.730 3.884 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H](C)c2ccc(C)cc2)c1 ZINC000737440213 1129448015 /nfs/dbraw/zinc/44/80/15/1129448015.db2.gz FPJLVTARBUCNQF-VCRXTVNUSA-N 1 2 283.371 3.932 20 30 CHEDLO C[C@@H](CNc1cc(C2(C#N)CC2)cc[nH+]1)c1ccc(O)cc1 ZINC001169537150 1129734403 /nfs/dbraw/zinc/73/44/03/1129734403.db2.gz AIEDNHJBFSJTKK-ZDUSSCGKSA-N 1 2 293.370 3.558 20 30 CHEDLO N#CCc1ccc[nH+]c1NCCc1coc2ccccc12 ZINC001169591784 1129739646 /nfs/dbraw/zinc/73/96/46/1129739646.db2.gz NQVAKLUZOZWLAH-UHFFFAOYSA-N 1 2 277.327 3.548 20 30 CHEDLO C=CC[C@@H]1N(C(=O)c2cccc3[nH+]ccn32)CCCC1(C)C ZINC000767230039 1129782805 /nfs/dbraw/zinc/78/28/05/1129782805.db2.gz WCEVFIFMIPNVNL-HNNXBMFYSA-N 1 2 297.402 3.541 20 30 CHEDLO Cc1cc(CNc2ccc([NH+](C)C)cc2)ccc1C#N ZINC000767688115 1129808532 /nfs/dbraw/zinc/80/85/32/1129808532.db2.gz WGUOCWHPSUXDAH-UHFFFAOYSA-N 1 2 265.360 3.545 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCCc2cccs2)c1 ZINC000769549010 1129917067 /nfs/dbraw/zinc/91/70/67/1129917067.db2.gz LOAZBZAPUPXWRY-WJDWOHSUSA-N 1 2 275.373 3.514 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccccc1Cl ZINC000769601672 1129919132 /nfs/dbraw/zinc/91/91/32/1129919132.db2.gz IOCZCKIWCUYNFC-CMDGGOBGSA-N 1 2 282.730 3.884 20 30 CHEDLO C=CC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccncc1 ZINC000769915006 1129929738 /nfs/dbraw/zinc/92/97/38/1129929738.db2.gz UFPRFBYLFXXAGY-LLVKDONJSA-N 1 2 279.796 3.599 20 30 CHEDLO Cc1[nH]c(/C=C2\CCc3ccc(Cl)cc3C2=O)[nH+]c1C ZINC000901491775 1129930274 /nfs/dbraw/zinc/93/02/74/1129930274.db2.gz VWPNFYWICBWYIG-KPKJPENVSA-N 1 2 286.762 3.892 20 30 CHEDLO COc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)ccc1F ZINC000901490914 1129930388 /nfs/dbraw/zinc/93/03/88/1129930388.db2.gz ZOAVTQSGMTZDHF-ALCCZGGFSA-N 1 2 288.322 3.508 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2csc(C(C)C)n2)[nH+]c1C ZINC000901491490 1129930414 /nfs/dbraw/zinc/93/04/14/1129930414.db2.gz SUBFXOUDYVNBIT-AATRIKPKSA-N 1 2 275.377 3.503 20 30 CHEDLO C=CC[C@H]1[N@@H+](CC(F)(F)C(F)F)CCCC1(C)C ZINC000769954668 1129932132 /nfs/dbraw/zinc/93/21/32/1129932132.db2.gz WGENHTSKXHHDDR-SNVBAGLBSA-N 1 2 267.310 3.954 20 30 CHEDLO C=CC[C@H]1[N@H+](CC(F)(F)C(F)F)CCCC1(C)C ZINC000769954668 1129932136 /nfs/dbraw/zinc/93/21/36/1129932136.db2.gz WGENHTSKXHHDDR-SNVBAGLBSA-N 1 2 267.310 3.954 20 30 CHEDLO Cc1[nH]c(/C=C2\C[C@@H](C)c3ccsc3C2=O)[nH+]c1C ZINC000901516716 1129933062 /nfs/dbraw/zinc/93/30/62/1129933062.db2.gz FZFKXJIOLFXXGN-XAPLUZPNSA-N 1 2 272.373 3.862 20 30 CHEDLO Oc1cccc(/C=[NH+]/CC2CC(c3ccccc3)C2)c1O ZINC000801646130 1129936095 /nfs/dbraw/zinc/93/60/95/1129936095.db2.gz MFJPFROPFKLHPJ-XDHOZWIPSA-N 1 2 281.355 3.711 20 30 CHEDLO CCC(CC)[C@H](CC/[NH+]=C/c1cc(OC)ccc1O)OC ZINC000746521243 1130001474 /nfs/dbraw/zinc/00/14/74/1130001474.db2.gz GBYFPXYRUJFVIN-BOFQVRIASA-N 1 2 293.407 3.661 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1c(F)cccc1F ZINC000902757148 1130052909 /nfs/dbraw/zinc/05/29/09/1130052909.db2.gz OYANQNRHCSYBTH-WDEREUQCSA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000903105973 1130113449 /nfs/dbraw/zinc/11/34/49/1130113449.db2.gz JUCWYZNNXLQTJQ-AWEZNQCLSA-N 1 2 293.370 3.828 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCC1 ZINC000903109516 1130114295 /nfs/dbraw/zinc/11/42/95/1130114295.db2.gz QKYBNYLTBCPHQF-CQSZACIVSA-N 1 2 276.330 3.626 20 30 CHEDLO C=C(Br)C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000746656862 1130136462 /nfs/dbraw/zinc/13/64/62/1130136462.db2.gz AQENHGNROAKKKP-ZDUSSCGKSA-N 1 2 298.224 3.605 20 30 CHEDLO C=C(Br)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000746656862 1130136464 /nfs/dbraw/zinc/13/64/64/1130136464.db2.gz AQENHGNROAKKKP-ZDUSSCGKSA-N 1 2 298.224 3.605 20 30 CHEDLO Cc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CCC2)o1 ZINC000903262933 1130139212 /nfs/dbraw/zinc/13/92/12/1130139212.db2.gz JNBAGNPLNZYHIT-OAHLLOKOSA-N 1 2 287.388 3.547 20 30 CHEDLO Fc1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CC2 ZINC000748787673 1130245493 /nfs/dbraw/zinc/24/54/93/1130245493.db2.gz FAGKQQBMQPWYLT-UHFFFAOYSA-N 1 2 291.329 3.558 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000749115885 1130265601 /nfs/dbraw/zinc/26/56/01/1130265601.db2.gz UOUSVWQZZBWLNR-MFKMUULPSA-N 1 2 266.182 3.588 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000749115885 1130265602 /nfs/dbraw/zinc/26/56/02/1130265602.db2.gz UOUSVWQZZBWLNR-MFKMUULPSA-N 1 2 266.182 3.588 20 30 CHEDLO C=CCCSCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826915146 1130310524 /nfs/dbraw/zinc/31/05/24/1130310524.db2.gz DPHGQQJTKKMHKE-UHFFFAOYSA-N 1 2 289.803 3.584 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(N(C)C)cc2)cc1C#N ZINC001240915447 1130514877 /nfs/dbraw/zinc/51/48/77/1130514877.db2.gz RLLDMTAHQBBORZ-DEDYPNTBSA-N 1 2 292.386 3.513 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cc(C(C)C)c(C)cc1O ZINC000793560869 1130570469 /nfs/dbraw/zinc/57/04/69/1130570469.db2.gz QYIUISWJHOCXNP-UHFFFAOYSA-N 1 2 272.392 3.726 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cc(C(C)C)c(C)cc1O ZINC000793560869 1130570473 /nfs/dbraw/zinc/57/04/73/1130570473.db2.gz QYIUISWJHOCXNP-UHFFFAOYSA-N 1 2 272.392 3.726 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)cc1 ZINC000811516096 1130615797 /nfs/dbraw/zinc/61/57/97/1130615797.db2.gz FFKDZQXIKJHFNH-HNNXBMFYSA-N 1 2 299.757 3.533 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000811516203 1130620484 /nfs/dbraw/zinc/62/04/84/1130620484.db2.gz GSNFHOOMBLUITE-INIZCTEOSA-N 1 2 273.738 3.943 20 30 CHEDLO C[C@H](C[C@H]1CCOC1)/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000759643619 1130665957 /nfs/dbraw/zinc/66/59/57/1130665957.db2.gz NSLFHKCHASXKHC-NYSXYVASSA-N 1 2 283.371 3.779 20 30 CHEDLO C=CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000780471032 1130680234 /nfs/dbraw/zinc/68/02/34/1130680234.db2.gz ADRFMQNVUQATAC-GOEBONIOSA-N 1 2 275.392 3.577 20 30 CHEDLO C=CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000780471032 1130680239 /nfs/dbraw/zinc/68/02/39/1130680239.db2.gz ADRFMQNVUQATAC-GOEBONIOSA-N 1 2 275.392 3.577 20 30 CHEDLO Cc1ccnc(C[N@H+](C)Cc2ccc(C#N)cc2)c1Cl ZINC001235584536 1130755919 /nfs/dbraw/zinc/75/59/19/1130755919.db2.gz ZPZQXNXXGBKWSN-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccnc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1Cl ZINC001235584536 1130755923 /nfs/dbraw/zinc/75/59/23/1130755923.db2.gz ZPZQXNXXGBKWSN-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc2cnccc2c1 ZINC000782232150 1130765171 /nfs/dbraw/zinc/76/51/71/1130765171.db2.gz WHEPVXHREMOSPC-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1O ZINC000814171683 1130833180 /nfs/dbraw/zinc/83/31/80/1130833180.db2.gz UNZWXBNTVGVHAM-UHFFFAOYSA-N 1 2 292.382 3.961 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1O ZINC000814171683 1130833182 /nfs/dbraw/zinc/83/31/82/1130833182.db2.gz UNZWXBNTVGVHAM-UHFFFAOYSA-N 1 2 292.382 3.961 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000783695972 1130847932 /nfs/dbraw/zinc/84/79/32/1130847932.db2.gz CRYWGWQAHLTEOZ-AATRIKPKSA-N 1 2 298.342 3.969 20 30 CHEDLO O=C1c2ccccc2O/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000783711521 1130851240 /nfs/dbraw/zinc/85/12/40/1130851240.db2.gz ZRONESFRUXGUPD-NVNXTCNLSA-N 1 2 294.335 3.550 20 30 CHEDLO Nc1ccc(-c2ccc(C#Cc3ccccc3)cc2)c[nH+]1 ZINC001236315161 1130913626 /nfs/dbraw/zinc/91/36/26/1130913626.db2.gz IFNFOWLCHPHVQV-UHFFFAOYSA-N 1 2 270.335 3.731 20 30 CHEDLO CCC(=[NH+]Nc1ccc(Cl)nc1)c1cccc(N)c1 ZINC000814858573 1130923572 /nfs/dbraw/zinc/92/35/72/1130923572.db2.gz CEWBAOMHXDXPKS-UHFFFAOYSA-N 1 2 274.755 3.543 20 30 CHEDLO CC(=[NH+]NCc1ccc(Cl)cc1)c1cc(N)ccc1F ZINC000814873076 1130927441 /nfs/dbraw/zinc/92/74/41/1130927441.db2.gz MNAWOHWIGTXLDL-UHFFFAOYSA-N 1 2 291.757 3.575 20 30 CHEDLO CCC(=[NH+]O[C@@H]1CCCCO1)c1ccc(Cl)c(N)c1 ZINC000814888407 1130929449 /nfs/dbraw/zinc/92/94/49/1130929449.db2.gz YYMNLOWHOCGHNK-CQSZACIVSA-N 1 2 282.771 3.580 20 30 CHEDLO FC(F)(F)CCO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814909807 1130935127 /nfs/dbraw/zinc/93/51/27/1130935127.db2.gz KYCYHZFRLQJCAM-VIFPVBQESA-N 1 2 284.281 3.663 20 30 CHEDLO Cc1cccc2c(C)cc(NCC(C)(C)S)[nH+]c12 ZINC001159264236 1130948548 /nfs/dbraw/zinc/94/85/48/1130948548.db2.gz SHJCCXJEPNELNE-UHFFFAOYSA-N 1 2 260.406 3.972 20 30 CHEDLO CC[N@H+](CCC#N)Cc1sc(Br)cc1C ZINC001236827237 1131009926 /nfs/dbraw/zinc/00/99/26/1131009926.db2.gz UTQAXBOEQLPZMV-UHFFFAOYSA-N 1 2 287.226 3.555 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1sc(Br)cc1C ZINC001236827237 1131009929 /nfs/dbraw/zinc/00/99/29/1131009929.db2.gz UTQAXBOEQLPZMV-UHFFFAOYSA-N 1 2 287.226 3.555 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237006957 1131036103 /nfs/dbraw/zinc/03/61/03/1131036103.db2.gz MHLFEKUGSMLFER-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237006957 1131036107 /nfs/dbraw/zinc/03/61/07/1131036107.db2.gz MHLFEKUGSMLFER-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(N)c1 ZINC001237222097 1131072742 /nfs/dbraw/zinc/07/27/42/1131072742.db2.gz CHEDZNGHUCDTFX-UHFFFAOYSA-N 1 2 299.805 3.838 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(N)c1 ZINC001237222097 1131072746 /nfs/dbraw/zinc/07/27/46/1131072746.db2.gz CHEDZNGHUCDTFX-UHFFFAOYSA-N 1 2 299.805 3.838 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(C)c(C)o1 ZINC000799879987 1131112102 /nfs/dbraw/zinc/11/21/02/1131112102.db2.gz XRXSJOKSOXWNEG-UHFFFAOYSA-N 1 2 279.343 3.703 20 30 CHEDLO CCCCCCCCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001115900403 1131122257 /nfs/dbraw/zinc/12/22/57/1131122257.db2.gz BMRMLSFTSZKMCS-OAHLLOKOSA-N 1 2 279.428 3.653 20 30 CHEDLO Brc1cnn([NH+]=C2CC3(C2)CCCCC3)c1 ZINC000817326075 1131151619 /nfs/dbraw/zinc/15/16/19/1131151619.db2.gz MBWNAKCGZKDXDU-UHFFFAOYSA-N 1 2 282.185 3.594 20 30 CHEDLO C=C[C@@H]1OCC[C@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000818991862 1131224383 /nfs/dbraw/zinc/22/43/83/1131224383.db2.gz KOKUSTGVCPXCQP-MQEIPQSASA-N 1 2 281.355 3.555 20 30 CHEDLO N#CCC[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000819035628 1131229776 /nfs/dbraw/zinc/22/97/76/1131229776.db2.gz XQHNRRXQKHDZHY-IBGZPJMESA-N 1 2 292.382 3.604 20 30 CHEDLO Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001138034692 1131456002 /nfs/dbraw/zinc/45/60/02/1131456002.db2.gz PVBRNQIQMRRBOG-GFCCVEGCSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001138034692 1131456005 /nfs/dbraw/zinc/45/60/05/1131456005.db2.gz PVBRNQIQMRRBOG-GFCCVEGCSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)[nH+]c2cc[nH]c21 ZINC001171063289 1131480498 /nfs/dbraw/zinc/48/04/98/1131480498.db2.gz JDUYWHCWLQGTJI-OAHLLOKOSA-N 1 2 288.354 3.842 20 30 CHEDLO C[N@H+](CCC#N)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138311282 1131489128 /nfs/dbraw/zinc/48/91/28/1131489128.db2.gz YJLNQBXJURVLSV-UHFFFAOYSA-N 1 2 269.392 3.811 20 30 CHEDLO C[N@@H+](CCC#N)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138311282 1131489129 /nfs/dbraw/zinc/48/91/29/1131489129.db2.gz YJLNQBXJURVLSV-UHFFFAOYSA-N 1 2 269.392 3.811 20 30 CHEDLO CCCCc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)s1 ZINC001138756726 1131547871 /nfs/dbraw/zinc/54/78/71/1131547871.db2.gz JDHCYXRTBKIHEP-CYBMUJFWSA-N 1 2 262.422 3.826 20 30 CHEDLO CCCCc1ccc(C[N@H+]2CCC[C@H](C#N)C2)s1 ZINC001138756726 1131547873 /nfs/dbraw/zinc/54/78/73/1131547873.db2.gz JDHCYXRTBKIHEP-CYBMUJFWSA-N 1 2 262.422 3.826 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(OCC)c1F ZINC001143943037 1131556896 /nfs/dbraw/zinc/55/68/96/1131556896.db2.gz QNRKSMVALDMJRL-UHFFFAOYSA-N 1 2 269.335 3.762 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(F)ccc(OCC)c1F ZINC001143943037 1131556898 /nfs/dbraw/zinc/55/68/98/1131556898.db2.gz QNRKSMVALDMJRL-UHFFFAOYSA-N 1 2 269.335 3.762 20 30 CHEDLO Cc1cnc(Cl)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001139589380 1131618790 /nfs/dbraw/zinc/61/87/90/1131618790.db2.gz BSQFCXZBZLMKOL-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1cnc(Cl)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001139589380 1131618791 /nfs/dbraw/zinc/61/87/91/1131618791.db2.gz BSQFCXZBZLMKOL-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO C[N@H+](Cc1cccs1)Cc1cccc(Cl)c1C#N ZINC001139691547 1131629146 /nfs/dbraw/zinc/62/91/46/1131629146.db2.gz YVAJFFQRSBLCDH-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1cccs1)Cc1cccc(Cl)c1C#N ZINC001139691547 1131629149 /nfs/dbraw/zinc/62/91/49/1131629149.db2.gz YVAJFFQRSBLCDH-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C=C(C)[C@H]1CC=C(COC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000845486603 1131636754 /nfs/dbraw/zinc/63/67/54/1131636754.db2.gz XZEZVYVVNXJIFI-HOCLYGCPSA-N 1 2 288.391 3.680 20 30 CHEDLO Cc1cnc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)s1 ZINC001139808701 1131637447 /nfs/dbraw/zinc/63/74/47/1131637447.db2.gz CFQRUGWCUONGPF-UHFFFAOYSA-N 1 2 297.427 3.509 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337241 1131702759 /nfs/dbraw/zinc/70/27/59/1131702759.db2.gz IEPBYLGIOQKVQI-AWEZNQCLSA-N 1 2 283.400 3.546 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337241 1131702762 /nfs/dbraw/zinc/70/27/62/1131702762.db2.gz IEPBYLGIOQKVQI-AWEZNQCLSA-N 1 2 283.400 3.546 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001140600883 1131821113 /nfs/dbraw/zinc/82/11/13/1131821113.db2.gz ZAUREVUMXNDIRH-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001140600883 1131821123 /nfs/dbraw/zinc/82/11/23/1131821123.db2.gz ZAUREVUMXNDIRH-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO CC1(C)C[NH+](Cc2cc(C#N)ccc2Cl)CC(C)(C)O1 ZINC001140603879 1131825725 /nfs/dbraw/zinc/82/57/25/1131825725.db2.gz HOVBWWKDVMCXEM-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C=C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000835392015 1131831729 /nfs/dbraw/zinc/83/17/29/1131831729.db2.gz UQNPBTHUEWWTJM-MRXNPFEDSA-N 1 2 298.386 3.689 20 30 CHEDLO COc1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(C)c1 ZINC001140675938 1131857876 /nfs/dbraw/zinc/85/78/76/1131857876.db2.gz YNSULZYPVXRXQW-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO COc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(C)c1 ZINC001140675938 1131857886 /nfs/dbraw/zinc/85/78/86/1131857886.db2.gz YNSULZYPVXRXQW-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO C#C[C@@H](CCCCC)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228326191 1131858752 /nfs/dbraw/zinc/85/87/52/1131858752.db2.gz GPTQNZZSYCHJGD-ZDUSSCGKSA-N 1 2 256.349 3.832 20 30 CHEDLO Cc1[nH]c2ccc(O[C@H](C)C#C[Si](C)(C)C)cc2[nH+]1 ZINC001228329916 1131859400 /nfs/dbraw/zinc/85/94/00/1131859400.db2.gz RWNSJTWTTZJVMF-LLVKDONJSA-N 1 2 272.424 3.519 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140756097 1131908258 /nfs/dbraw/zinc/90/82/58/1131908258.db2.gz FJEYJYNZDPUPFR-LBPRGKRZSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140756097 1131908262 /nfs/dbraw/zinc/90/82/62/1131908262.db2.gz FJEYJYNZDPUPFR-LBPRGKRZSA-N 1 2 298.336 3.783 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2Cl)cn1 ZINC001140814611 1131934198 /nfs/dbraw/zinc/93/41/98/1131934198.db2.gz ONMUQRLMBOVHCG-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2Cl)cn1 ZINC001140814611 1131934204 /nfs/dbraw/zinc/93/42/04/1131934204.db2.gz ONMUQRLMBOVHCG-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Fc1cccc(N2CCCC2)c1C=[NH+]OCc1ccccc1 ZINC000839420188 1132206606 /nfs/dbraw/zinc/20/66/06/1132206606.db2.gz XAHOVFVHXYBSDX-UHFFFAOYSA-N 1 2 298.361 3.977 20 30 CHEDLO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172507985 1132252807 /nfs/dbraw/zinc/25/28/07/1132252807.db2.gz AKTWPMXBYZBEHL-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H](CCCC#N)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172507985 1132252812 /nfs/dbraw/zinc/25/28/12/1132252812.db2.gz AKTWPMXBYZBEHL-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO CC(C)(C#N)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172817152 1132316451 /nfs/dbraw/zinc/31/64/51/1132316451.db2.gz SBBWUYCUOYXNBS-UHFFFAOYSA-N 1 2 256.393 3.680 20 30 CHEDLO C=CCOc1cccc(C[N@@H+]2Cc3cccc(OC)c3C2)c1 ZINC001231624564 1132329341 /nfs/dbraw/zinc/32/93/41/1132329341.db2.gz PUUZJZINLCPGKK-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C=CCOc1cccc(C[N@H+]2Cc3cccc(OC)c3C2)c1 ZINC001231624564 1132329345 /nfs/dbraw/zinc/32/93/45/1132329345.db2.gz PUUZJZINLCPGKK-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172872568 1132351264 /nfs/dbraw/zinc/35/12/64/1132351264.db2.gz NJMUNSJTDQMUSJ-IAQYHMDHSA-N 1 2 280.774 3.646 20 30 CHEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC001172872568 1132351273 /nfs/dbraw/zinc/35/12/73/1132351273.db2.gz NJMUNSJTDQMUSJ-IAQYHMDHSA-N 1 2 280.774 3.646 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(OC)cc2Cl)C1 ZINC001142293420 1132360575 /nfs/dbraw/zinc/36/05/75/1132360575.db2.gz SBSSUCWRBKDGFW-LLVKDONJSA-N 1 2 298.213 3.847 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cc(OC)cc2Cl)C1 ZINC001142293420 1132360584 /nfs/dbraw/zinc/36/05/84/1132360584.db2.gz SBSSUCWRBKDGFW-LLVKDONJSA-N 1 2 298.213 3.847 20 30 CHEDLO CCCOC1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001173096063 1132385845 /nfs/dbraw/zinc/38/58/45/1132385845.db2.gz JNXPCBAJGOATEN-GPANFISMSA-N 1 2 266.429 3.642 20 30 CHEDLO N#CC1([NH2+][C@H]2CCCC3(CCCCC3)C2)CCOCC1 ZINC001173346028 1132471194 /nfs/dbraw/zinc/47/11/94/1132471194.db2.gz YISFXXJYDSGNAC-HNNXBMFYSA-N 1 2 276.424 3.542 20 30 CHEDLO C#CC[N@@H+](Cc1nc(CC)cs1)[C@@H]1CCc2ccccc21 ZINC001232476216 1132475594 /nfs/dbraw/zinc/47/55/94/1132475594.db2.gz VCESICVJPCFSPP-QGZVFWFLSA-N 1 2 296.439 3.828 20 30 CHEDLO C#CC[N@H+](Cc1nc(CC)cs1)[C@@H]1CCc2ccccc21 ZINC001232476216 1132475601 /nfs/dbraw/zinc/47/56/01/1132475601.db2.gz VCESICVJPCFSPP-QGZVFWFLSA-N 1 2 296.439 3.828 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001232609381 1132492103 /nfs/dbraw/zinc/49/21/03/1132492103.db2.gz ZYBNPFDXDGYHID-NSHDSACASA-N 1 2 284.737 3.689 20 30 CHEDLO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232675067 1132506658 /nfs/dbraw/zinc/50/66/58/1132506658.db2.gz LDZLGVVSZVJCMT-SFHVURJKSA-N 1 2 292.382 3.909 20 30 CHEDLO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232675067 1132506666 /nfs/dbraw/zinc/50/66/66/1132506666.db2.gz LDZLGVVSZVJCMT-SFHVURJKSA-N 1 2 292.382 3.909 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143171254 1132512590 /nfs/dbraw/zinc/51/25/90/1132512590.db2.gz VBICLLGSCVAXBT-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2c(F)ccc(C#N)c2F)cc1 ZINC001143171254 1132512599 /nfs/dbraw/zinc/51/25/99/1132512599.db2.gz VBICLLGSCVAXBT-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccc(C[N@H+](C)CCC(=O)c2cccs2)c(C#N)c1 ZINC001232968066 1132553975 /nfs/dbraw/zinc/55/39/75/1132553975.db2.gz CNRIWWZHGSRUHV-UHFFFAOYSA-N 1 2 298.411 3.633 20 30 CHEDLO Cc1ccc(C[N@@H+](C)CCC(=O)c2cccs2)c(C#N)c1 ZINC001232968066 1132553982 /nfs/dbraw/zinc/55/39/82/1132553982.db2.gz CNRIWWZHGSRUHV-UHFFFAOYSA-N 1 2 298.411 3.633 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(Cl)cnc1OC(C)C ZINC001233167942 1132576524 /nfs/dbraw/zinc/57/65/24/1132576524.db2.gz WZEVZYJCXUWYKP-UHFFFAOYSA-N 1 2 280.799 3.696 20 30 CHEDLO C=CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001151971087 1132577957 /nfs/dbraw/zinc/57/79/57/1132577957.db2.gz CANAEWIGDFYYDG-UHFFFAOYSA-N 1 2 283.375 3.524 20 30 CHEDLO Cc1c(F)cc[nH+]c1N[C@@H](C)c1cccc(C#N)c1 ZINC001156873982 1132712459 /nfs/dbraw/zinc/71/24/59/1132712459.db2.gz RPXPYOYJMBFPLM-NSHDSACASA-N 1 2 255.296 3.574 20 30 CHEDLO CCOc1ccc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001158788733 1132793746 /nfs/dbraw/zinc/79/37/46/1132793746.db2.gz LEVUJFYKRAZIMM-UHFFFAOYSA-N 1 2 271.364 3.509 20 30 CHEDLO Cc1cc(NC23CCC(C#N)(CC2)CC3)nc(C(C)C)[nH+]1 ZINC001158788749 1132794368 /nfs/dbraw/zinc/79/43/68/1132794368.db2.gz LXKOFGFBJQKVKM-UHFFFAOYSA-N 1 2 284.407 3.937 20 30 CHEDLO C=CCCCNc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001159262460 1132821862 /nfs/dbraw/zinc/82/18/62/1132821862.db2.gz PVFATFDHRINXPZ-UHFFFAOYSA-N 1 2 272.348 3.630 20 30 CHEDLO N#Cc1cc(Cl)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213031452 1132995666 /nfs/dbraw/zinc/99/56/66/1132995666.db2.gz ALKOPUCXQZWELD-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO CCC1(Nc2[nH+]ccc3ccc(C#N)cc32)CCC1 ZINC001161562591 1133006914 /nfs/dbraw/zinc/00/69/14/1133006914.db2.gz LGMQPJIJHBNGNY-UHFFFAOYSA-N 1 2 251.333 3.851 20 30 CHEDLO CCOc1ccc([C@@H](C)Nc2cc(CC#N)cc[nH+]2)cc1 ZINC001161977502 1133045752 /nfs/dbraw/zinc/04/57/52/1133045752.db2.gz RUMDRDIIZRTKCR-CYBMUJFWSA-N 1 2 281.359 3.719 20 30 CHEDLO CC(=O)C=C(C)Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001163739728 1133170331 /nfs/dbraw/zinc/17/03/31/1133170331.db2.gz XTBJTTTVDHIBBA-RAXLEYEMSA-N 1 2 291.354 3.930 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CCCC(F)(F)CC3)c2c1 ZINC001163980234 1133191075 /nfs/dbraw/zinc/19/10/75/1133191075.db2.gz YRRKPTWWNGMUFE-UHFFFAOYSA-N 1 2 287.313 3.732 20 30 CHEDLO CNc1ccc(Nc2c(C)cc(C#N)cc2Cl)c[nH+]1 ZINC001203456306 1133330066 /nfs/dbraw/zinc/33/00/66/1133330066.db2.gz BSBTZHZPAOFYOL-UHFFFAOYSA-N 1 2 272.739 3.700 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203963046 1133389742 /nfs/dbraw/zinc/38/97/42/1133389742.db2.gz WRNALFPIAHLNRY-GOSISDBHSA-N 1 2 292.382 3.611 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203963046 1133389749 /nfs/dbraw/zinc/38/97/49/1133389749.db2.gz WRNALFPIAHLNRY-GOSISDBHSA-N 1 2 292.382 3.611 20 30 CHEDLO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204746053 1133481688 /nfs/dbraw/zinc/48/16/88/1133481688.db2.gz SMGAKHUMWGEHJB-UHFFFAOYSA-N 1 2 283.758 3.668 20 30 CHEDLO C=CCCCCCCCCCN1CC[NH+](CCOC)CC1 ZINC001207899071 1133859813 /nfs/dbraw/zinc/85/98/13/1133859813.db2.gz LGWJNVGGLMIDSU-UHFFFAOYSA-N 1 2 296.499 3.557 20 30 CHEDLO C=CCCCCC[N@@H+](CC(=O)OCC)Cc1ccsc1 ZINC001209428209 1134017069 /nfs/dbraw/zinc/01/70/69/1134017069.db2.gz BGDCGUCKTOLZLQ-UHFFFAOYSA-N 1 2 295.448 3.860 20 30 CHEDLO C=CCCCCC[N@H+](CC(=O)OCC)Cc1ccsc1 ZINC001209428209 1134017075 /nfs/dbraw/zinc/01/70/75/1134017075.db2.gz BGDCGUCKTOLZLQ-UHFFFAOYSA-N 1 2 295.448 3.860 20 30 CHEDLO Cc1cccc(Nc2ccc([NH+](C)C)c(C)c2)c1C#N ZINC001210042109 1134131868 /nfs/dbraw/zinc/13/18/68/1134131868.db2.gz WBBHXPRCMFOJQV-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO C#Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001210113762 1134151494 /nfs/dbraw/zinc/15/14/94/1134151494.db2.gz RXTHEMHZOHHLBS-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO N#Cc1ccsc1Nc1cccc2cc[nH+]cc21 ZINC001210224399 1134171241 /nfs/dbraw/zinc/17/12/41/1134171241.db2.gz ZMBGIBDEOQXOAW-UHFFFAOYSA-N 1 2 251.314 3.912 20 30 CHEDLO N#Cc1ccc(O)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001210232037 1134174036 /nfs/dbraw/zinc/17/40/36/1134174036.db2.gz XZPLFMZDRCXHDT-UHFFFAOYSA-N 1 2 261.284 3.556 20 30 CHEDLO COc1cc(C#N)c(F)cc1Nc1cccc2cc[nH+]cc21 ZINC001210232319 1134174156 /nfs/dbraw/zinc/17/41/56/1134174156.db2.gz PLTVMWWIEMSLFF-UHFFFAOYSA-N 1 2 293.301 3.998 20 30 CHEDLO N#Cc1ccc(Nc2cccc3cc[nH+]cc32)c(O)c1 ZINC001210232832 1134174674 /nfs/dbraw/zinc/17/46/74/1134174674.db2.gz WHTMWOZEAUSOOU-UHFFFAOYSA-N 1 2 261.284 3.556 20 30 CHEDLO Cc1[nH+]cc(Nc2sc3ccccc3c2C#N)cc1N ZINC001210287300 1134185854 /nfs/dbraw/zinc/18/58/54/1134185854.db2.gz QIOYXYAYFDVUSD-UHFFFAOYSA-N 1 2 280.356 3.802 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cc(C#N)ccc1C ZINC001210501287 1134231794 /nfs/dbraw/zinc/23/17/94/1134231794.db2.gz UQWIZHXYQKYEMZ-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO CC(C)c1cccc(Nc2ccc(O)c(C#N)c2)[nH+]1 ZINC001210526999 1134239950 /nfs/dbraw/zinc/23/99/50/1134239950.db2.gz HCFUJEGUFHBZJC-UHFFFAOYSA-N 1 2 253.305 3.526 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001210553935 1134246766 /nfs/dbraw/zinc/24/67/66/1134246766.db2.gz ACXXRYDBQBIGIG-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1 ZINC001213089111 1134425773 /nfs/dbraw/zinc/42/57/73/1134425773.db2.gz UTAAIYNHOZKVTF-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1-n1cc(C#N)c2cc(N)ccc21 ZINC001213501218 1134457084 /nfs/dbraw/zinc/45/70/84/1134457084.db2.gz NAPIPNWMJSKZQX-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO Cc1cc(C)c(Nc2cc(C#N)ccc2Cl)c[nH+]1 ZINC001213515748 1134459347 /nfs/dbraw/zinc/45/93/47/1134459347.db2.gz IHNQVBAQPFTWFX-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(Cl)cc2C#N)c[nH+]1 ZINC001213515824 1134459376 /nfs/dbraw/zinc/45/93/76/1134459376.db2.gz NOGXCBQQIVBHRT-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(F)c(C#N)c2F)c1C ZINC001213532344 1134461887 /nfs/dbraw/zinc/46/18/87/1134461887.db2.gz CRAOYFJUWYJDTE-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(C#N)c(C)cc2C)c1C ZINC001213537242 1134462543 /nfs/dbraw/zinc/46/25/43/1134462543.db2.gz YAHPVLKULSPZNT-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccc(OC)c(C#N)c2)cc1 ZINC001215006839 1134592670 /nfs/dbraw/zinc/59/26/70/1134592670.db2.gz XVLAUGPTEGWKDE-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccc(OC)c(C#N)c2)cc1 ZINC001215006839 1134592675 /nfs/dbraw/zinc/59/26/75/1134592675.db2.gz XVLAUGPTEGWKDE-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO N#Cc1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1F ZINC001216412413 1134887316 /nfs/dbraw/zinc/88/73/16/1134887316.db2.gz BUSVVJOHGGAGGG-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO C[Si](C)(C)C#C[C@H](Oc1ccc[nH+]c1N)c1ccccc1 ZINC001218215960 1135070877 /nfs/dbraw/zinc/07/08/77/1135070877.db2.gz XGZJQQRTHKECEG-HNNXBMFYSA-N 1 2 296.446 3.665 20 30 CHEDLO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2c(C)cc[nH+]c2C)O1 ZINC001227264167 1135812629 /nfs/dbraw/zinc/81/26/29/1135812629.db2.gz KJMXWITVWWWSIL-RHSMWYFYSA-N 1 2 275.392 3.980 20 30 CHEDLO CC(C)CSCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000155071997 261098022 /nfs/dbraw/zinc/09/80/22/261098022.db2.gz SZOYZHGVUHBNOZ-UHFFFAOYSA-N 1 2 291.464 3.577 20 30 CHEDLO CC(C)CSCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000155071997 261098023 /nfs/dbraw/zinc/09/80/23/261098023.db2.gz SZOYZHGVUHBNOZ-UHFFFAOYSA-N 1 2 291.464 3.577 20 30 CHEDLO N#CC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000334657125 225259808 /nfs/dbraw/zinc/25/98/08/225259808.db2.gz QJTZKWQFIDFWJQ-UHFFFAOYSA-N 1 2 289.741 3.767 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc(-c2ccccc2)cs1 ZINC000348010398 226395788 /nfs/dbraw/zinc/39/57/88/226395788.db2.gz RPUAGUZZUCKBJK-LBPRGKRZSA-N 1 2 283.400 3.764 20 30 CHEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1C#N ZINC000354857475 227173131 /nfs/dbraw/zinc/17/31/31/227173131.db2.gz ISQUEVQSZITZAI-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1C#N ZINC000354857475 227173136 /nfs/dbraw/zinc/17/31/36/227173136.db2.gz ISQUEVQSZITZAI-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(C)[nH+]c1C)O2 ZINC000330017982 228018115 /nfs/dbraw/zinc/01/81/15/228018115.db2.gz SBPYGEYUCXQAHR-QGZVFWFLSA-N 1 2 296.370 3.989 20 30 CHEDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356081118 228113216 /nfs/dbraw/zinc/11/32/16/228113216.db2.gz FLTQAYDQDDMUKU-LLVKDONJSA-N 1 2 297.383 3.954 20 30 CHEDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356081118 228113218 /nfs/dbraw/zinc/11/32/18/228113218.db2.gz FLTQAYDQDDMUKU-LLVKDONJSA-N 1 2 297.383 3.954 20 30 CHEDLO C=CCCCC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298262707 260149708 /nfs/dbraw/zinc/14/97/08/260149708.db2.gz GOVUVGZMBXQXQC-UHFFFAOYSA-N 1 2 297.402 3.652 20 30 CHEDLO CCC(C)(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000447908763 260162192 /nfs/dbraw/zinc/16/21/92/260162192.db2.gz VKWJYSLWSIKNGS-RDJZCZTQSA-N 1 2 278.440 3.740 20 30 CHEDLO CCC(C)(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000447908763 260162190 /nfs/dbraw/zinc/16/21/90/260162190.db2.gz VKWJYSLWSIKNGS-RDJZCZTQSA-N 1 2 278.440 3.740 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000054181983 260216722 /nfs/dbraw/zinc/21/67/22/260216722.db2.gz OJVMUODGTKUGKB-NSHDSACASA-N 1 2 257.164 3.775 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(Br)cs1)CC1CC1 ZINC000081044072 260329410 /nfs/dbraw/zinc/32/94/10/260329410.db2.gz QTWXOQSKDREXNW-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CCC[N@H+](Cc1cc(Br)cs1)CC1CC1 ZINC000081044072 260329411 /nfs/dbraw/zinc/32/94/11/260329411.db2.gz QTWXOQSKDREXNW-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCCCC#N ZINC000189495986 262172508 /nfs/dbraw/zinc/17/25/08/262172508.db2.gz GHZBNDVWOQLMSS-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCCCC#N ZINC000189495986 262172510 /nfs/dbraw/zinc/17/25/10/262172510.db2.gz GHZBNDVWOQLMSS-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO CC1=CCC[C@H](C)[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000191065579 262188898 /nfs/dbraw/zinc/18/88/98/262188898.db2.gz IZCNJOMGAMRMRI-FUHWJXTLSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000191065579 262188900 /nfs/dbraw/zinc/18/89/00/262188900.db2.gz IZCNJOMGAMRMRI-FUHWJXTLSA-N 1 2 283.419 3.790 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000194134564 262233715 /nfs/dbraw/zinc/23/37/15/262233715.db2.gz NEXVOLOICNIBPO-UKRRQHHQSA-N 1 2 280.375 3.581 20 30 CHEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000278875484 263051629 /nfs/dbraw/zinc/05/16/29/263051629.db2.gz XISGQNAFCPRBCC-LSDHHAIUSA-N 1 2 284.407 3.566 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000284416043 263086961 /nfs/dbraw/zinc/08/69/61/263086961.db2.gz QWWLEDUEATYYHG-VIFPVBQESA-N 1 2 290.260 3.506 20 30 CHEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000286936722 263100344 /nfs/dbraw/zinc/10/03/44/263100344.db2.gz LOXSZFDQEAGETO-JSGCOSHPSA-N 1 2 273.405 3.575 20 30 CHEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000286936722 263100345 /nfs/dbraw/zinc/10/03/45/263100345.db2.gz LOXSZFDQEAGETO-JSGCOSHPSA-N 1 2 273.405 3.575 20 30 CHEDLO C[C@H](CCOCc1ccccc1)/[NH+]=C/c1cccc(O)c1O ZINC000287372730 263101964 /nfs/dbraw/zinc/10/19/64/263101964.db2.gz ZIEGBMBEWAOWQB-ONDHQXCVSA-N 1 2 299.370 3.512 20 30 CHEDLO CC(=O)c1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000295105917 263172261 /nfs/dbraw/zinc/17/22/61/263172261.db2.gz USEJHUXNOMMUFE-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO CC(=O)c1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000295105917 263172262 /nfs/dbraw/zinc/17/22/62/263172262.db2.gz USEJHUXNOMMUFE-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO C=C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000342017306 263378531 /nfs/dbraw/zinc/37/85/31/263378531.db2.gz XEAPQKIENKJKQU-UHFFFAOYSA-N 1 2 290.363 3.534 20 30 CHEDLO C=CCCN(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000341991403 263381807 /nfs/dbraw/zinc/38/18/07/263381807.db2.gz MKPCQRJDVPEAIH-UHFFFAOYSA-N 1 2 297.358 3.914 20 30 CHEDLO C[C@H]1SCC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC000441174434 263762490 /nfs/dbraw/zinc/76/24/90/263762490.db2.gz PDFZMJBFQDEXEQ-CHWSQXEVSA-N 1 2 279.836 3.517 20 30 CHEDLO C[C@H]1SCC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC000441174434 263762492 /nfs/dbraw/zinc/76/24/92/263762492.db2.gz PDFZMJBFQDEXEQ-CHWSQXEVSA-N 1 2 279.836 3.517 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519160261 265346855 /nfs/dbraw/zinc/34/68/55/265346855.db2.gz CTKWMXAHABPWNU-UHFFFAOYSA-N 1 2 290.363 3.556 20 30 CHEDLO CSc1ccc(NCc2c(F)cc(C#N)cc2F)[nH+]c1 ZINC000362639369 267028562 /nfs/dbraw/zinc/02/85/62/267028562.db2.gz XMYSVBAKPHZANR-UHFFFAOYSA-N 1 2 291.326 3.565 20 30 CHEDLO C=C(C)COc1cc(CNc2c[nH+]ccc2C)ccc1OC ZINC000119004191 267292201 /nfs/dbraw/zinc/29/22/01/267292201.db2.gz MVLJEIHFZIYOEN-UHFFFAOYSA-N 1 2 298.386 3.966 20 30 CHEDLO C=CCN(Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119423898 267333931 /nfs/dbraw/zinc/33/39/31/267333931.db2.gz GGFRNKKQNUTPAW-UHFFFAOYSA-N 1 2 281.359 3.610 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000376621674 268002589 /nfs/dbraw/zinc/00/25/89/268002589.db2.gz GIHQVHZVCWMRHS-LBPRGKRZSA-N 1 2 283.375 3.926 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(C#N)c1 ZINC000531580249 328016184 /nfs/dbraw/zinc/01/61/84/328016184.db2.gz YRMGTPAENSDEFR-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000531580249 328016186 /nfs/dbraw/zinc/01/61/86/328016186.db2.gz YRMGTPAENSDEFR-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2ccc(C#N)cc2)c1 ZINC000339743821 328042475 /nfs/dbraw/zinc/04/24/75/328042475.db2.gz WCYYYQWWCHVTTP-UHFFFAOYSA-N 1 2 270.357 3.563 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1Br ZINC000450657714 328055634 /nfs/dbraw/zinc/05/56/34/328055634.db2.gz ACLBJUSHDODGSE-LLVKDONJSA-N 1 2 293.208 3.794 20 30 CHEDLO C[C@H](CCC#N)[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767714 328099369 /nfs/dbraw/zinc/09/93/69/328099369.db2.gz OJJZRMIEEYXESX-IAQYHMDHSA-N 1 2 282.309 3.528 20 30 CHEDLO C[C@H](CCC#N)[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767714 328099371 /nfs/dbraw/zinc/09/93/71/328099371.db2.gz OJJZRMIEEYXESX-IAQYHMDHSA-N 1 2 282.309 3.528 20 30 CHEDLO C=CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413133233 328141042 /nfs/dbraw/zinc/14/10/42/328141042.db2.gz BJUANDFJKYTDOS-UHFFFAOYSA-N 1 2 283.331 3.545 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccsc2Br)CC1 ZINC000389049259 328607823 /nfs/dbraw/zinc/60/78/23/328607823.db2.gz CUAKXHBGKVWXII-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO C[C@@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@@H](C)S1 ZINC000532745824 328808454 /nfs/dbraw/zinc/80/84/54/328808454.db2.gz CVEOQGUIBMQGGW-CHWSQXEVSA-N 1 2 279.836 3.517 20 30 CHEDLO C=CCN(CC1CCCCC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171947617 329082401 /nfs/dbraw/zinc/08/24/01/329082401.db2.gz RUAOKPWVTKJJIG-UHFFFAOYSA-N 1 2 297.402 3.543 20 30 CHEDLO C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000582683827 329127845 /nfs/dbraw/zinc/12/78/45/329127845.db2.gz LUEFCHOKCMPDRU-KGLIPLIRSA-N 1 2 259.397 3.694 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000184094135 329256248 /nfs/dbraw/zinc/25/62/48/329256248.db2.gz WDUOSNZBGCZEDD-CYBMUJFWSA-N 1 2 271.389 3.592 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000184091476 329256281 /nfs/dbraw/zinc/25/62/81/329256281.db2.gz MNBTXBGRPIUOED-LBPRGKRZSA-N 1 2 299.330 3.637 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc(F)c(F)c1 ZINC000186447147 329342723 /nfs/dbraw/zinc/34/27/23/329342723.db2.gz NIAPRRZRWCPSLZ-ABAIWWIYSA-N 1 2 291.345 3.666 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)cc1Br ZINC000129623584 329619049 /nfs/dbraw/zinc/61/90/49/329619049.db2.gz JKZVZXAUGMALBU-LBPRGKRZSA-N 1 2 281.197 3.539 20 30 CHEDLO Cc1cc(N2CC[C@](C)(c3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425260825 329651749 /nfs/dbraw/zinc/65/17/49/329651749.db2.gz PLAUOTRCGZXQIU-SFHVURJKSA-N 1 2 295.361 3.569 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)C1CC1 ZINC000271387649 330079389 /nfs/dbraw/zinc/07/93/89/330079389.db2.gz JGBZTYWNUDTDSY-UHFFFAOYSA-N 1 2 272.323 3.631 20 30 CHEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2F)o1)C1CC1 ZINC000271387649 330079392 /nfs/dbraw/zinc/07/93/92/330079392.db2.gz JGBZTYWNUDTDSY-UHFFFAOYSA-N 1 2 272.323 3.631 20 30 CHEDLO C=CCCC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000527220770 330237920 /nfs/dbraw/zinc/23/79/20/330237920.db2.gz GHTUNSQIFKLBJK-UHFFFAOYSA-N 1 2 281.359 3.762 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(C#N)cc1F ZINC000528036431 330302965 /nfs/dbraw/zinc/30/29/65/330302965.db2.gz RVJICHSXXLEVLI-MNOVXSKESA-N 1 2 287.313 3.643 20 30 CHEDLO N#CCc1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000105862918 330330493 /nfs/dbraw/zinc/33/04/93/330330493.db2.gz DULMFLGIEQUSOR-UHFFFAOYSA-N 1 2 296.761 3.666 20 30 CHEDLO CCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000514932728 330468141 /nfs/dbraw/zinc/46/81/41/330468141.db2.gz KZEBVAUCFMQQEW-MLGOLLRUSA-N 1 2 291.345 3.839 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]ccc2c(OC)cccc21 ZINC000450501474 330984067 /nfs/dbraw/zinc/98/40/67/330984067.db2.gz PRVHWXRYUGQUDY-DYVFJYSZSA-N 1 2 298.386 3.637 20 30 CHEDLO C=CCC[C@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000450911593 331006646 /nfs/dbraw/zinc/00/66/46/331006646.db2.gz KIMRAGRUHIZKRO-LLVKDONJSA-N 1 2 276.767 3.627 20 30 CHEDLO C=CC[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452334543 331062678 /nfs/dbraw/zinc/06/26/78/331062678.db2.gz NIHUAUIEXMHOHQ-HNNXBMFYSA-N 1 2 295.386 3.518 20 30 CHEDLO C=CCCC1(c2nc(CCc3[nH+]cccc3C)no2)CC1 ZINC000453225333 331103817 /nfs/dbraw/zinc/10/38/17/331103817.db2.gz OAFPCYQMLGPIRT-UHFFFAOYSA-N 1 2 283.375 3.556 20 30 CHEDLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(C#N)cc1 ZINC000453288965 331111519 /nfs/dbraw/zinc/11/15/19/331111519.db2.gz MBULJEDMPZMACK-ZWNOBZJWSA-N 1 2 252.308 3.643 20 30 CHEDLO C=CCC1(CNC(=O)Nc2c(C)cc[nH+]c2C)CCCC1 ZINC000455433917 331169857 /nfs/dbraw/zinc/16/98/57/331169857.db2.gz GNSNEJYUHUUFSB-UHFFFAOYSA-N 1 2 287.407 3.956 20 30 CHEDLO C=CCC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CCCCC1 ZINC000456417584 331192408 /nfs/dbraw/zinc/19/24/08/331192408.db2.gz KRFVGFOHXKLUFZ-ZIAGYGMSSA-N 1 2 287.407 3.532 20 30 CHEDLO N#CC[N@H+](Cc1ccc(C2CC2)cc1)C1CCCC1 ZINC000459356078 331277906 /nfs/dbraw/zinc/27/79/06/331277906.db2.gz ZQEQUJALKTYFMP-UHFFFAOYSA-N 1 2 254.377 3.832 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(C2CC2)cc1)C1CCCC1 ZINC000459356078 331277907 /nfs/dbraw/zinc/27/79/07/331277907.db2.gz ZQEQUJALKTYFMP-UHFFFAOYSA-N 1 2 254.377 3.832 20 30 CHEDLO CC#CCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000462323279 331319608 /nfs/dbraw/zinc/31/96/08/331319608.db2.gz HLGSDTOWDFOKPW-CZUORRHYSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000462323279 331319609 /nfs/dbraw/zinc/31/96/09/331319609.db2.gz HLGSDTOWDFOKPW-CZUORRHYSA-N 1 2 277.795 3.515 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000469792864 331459770 /nfs/dbraw/zinc/45/97/70/331459770.db2.gz XLUYOVYDPBYEGX-MRXNPFEDSA-N 1 2 292.304 3.906 20 30 CHEDLO CCCCC/C(=C\c1ccccc1)C[NH+]1CC(O)(CC#N)C1 ZINC000475111983 331615269 /nfs/dbraw/zinc/61/52/69/331615269.db2.gz REOGIGZJKDJDSB-QGOAFFKASA-N 1 2 298.430 3.611 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000489399261 332049829 /nfs/dbraw/zinc/04/98/29/332049829.db2.gz GLTMIIHNVZAGTH-LLVKDONJSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000489399261 332049830 /nfs/dbraw/zinc/04/98/30/332049830.db2.gz GLTMIIHNVZAGTH-LLVKDONJSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000489512760 332057698 /nfs/dbraw/zinc/05/76/98/332057698.db2.gz OPOWFYJZLCXSOE-CYBMUJFWSA-N 1 2 250.411 3.807 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000489512760 332057699 /nfs/dbraw/zinc/05/76/99/332057699.db2.gz OPOWFYJZLCXSOE-CYBMUJFWSA-N 1 2 250.411 3.807 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc(Cl)cc1F ZINC000491405179 332205839 /nfs/dbraw/zinc/20/58/39/332205839.db2.gz HGIFCOVNNDEXCR-MRXNPFEDSA-N 1 2 288.753 3.647 20 30 CHEDLO COc1cc2cc[nH+]c(N3CCC(CC#N)CC3)c2cc1F ZINC000575353993 335096943 /nfs/dbraw/zinc/09/69/43/335096943.db2.gz LNSDDFFBOKHHDS-UHFFFAOYSA-N 1 2 299.349 3.513 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000491731676 332313363 /nfs/dbraw/zinc/31/33/63/332313363.db2.gz JABIGJPDGRFCTN-NSHDSACASA-N 1 2 288.778 3.757 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000491731676 332313364 /nfs/dbraw/zinc/31/33/64/332313364.db2.gz JABIGJPDGRFCTN-NSHDSACASA-N 1 2 288.778 3.757 20 30 CHEDLO C=CC[C@H](CC)[NH2+][C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000500779739 332618716 /nfs/dbraw/zinc/61/87/16/332618716.db2.gz JZJMSLZPZXDULE-LSDHHAIUSA-N 1 2 295.810 3.889 20 30 CHEDLO C=C(C)CCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000505479115 332741659 /nfs/dbraw/zinc/74/16/59/332741659.db2.gz DSORQOJCXSUSFI-UHFFFAOYSA-N 1 2 296.399 3.874 20 30 CHEDLO CC[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](C)C#N ZINC000177690687 333061788 /nfs/dbraw/zinc/06/17/88/333061788.db2.gz HYXLYNKOKXXHIO-JTQLQIEISA-N 1 2 299.187 3.570 20 30 CHEDLO CC[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H](C)C#N ZINC000177690687 333061790 /nfs/dbraw/zinc/06/17/90/333061790.db2.gz HYXLYNKOKXXHIO-JTQLQIEISA-N 1 2 299.187 3.570 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000546633472 334042345 /nfs/dbraw/zinc/04/23/45/334042345.db2.gz MUNQWKCBILYHBU-GFCCVEGCSA-N 1 2 269.348 3.618 20 30 CHEDLO Cc1[nH+]c(C(C)C)ccc1Cn1nc(C#N)c2ccccc21 ZINC000549055857 334184127 /nfs/dbraw/zinc/18/41/27/334184127.db2.gz KKVHLIBXONBPAR-UHFFFAOYSA-N 1 2 290.370 3.783 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274579134 334781646 /nfs/dbraw/zinc/78/16/46/334781646.db2.gz IMMDLNVCSHZTPY-ZCFIWIBFSA-N 1 2 270.707 3.565 20 30 CHEDLO C=CCCOCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000576895400 335261912 /nfs/dbraw/zinc/26/19/12/335261912.db2.gz RFCZFIYUQAJEOC-UHFFFAOYSA-N 1 2 276.767 3.893 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ncc(-c2ccccc2)o1 ZINC000332169890 533982710 /nfs/dbraw/zinc/98/27/10/533982710.db2.gz KRKANGQBFZNEBX-NWANDNLSSA-N 1 2 281.359 3.684 20 30 CHEDLO C=C(C)C[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1 ZINC000279647907 518602198 /nfs/dbraw/zinc/60/21/98/518602198.db2.gz KBDPSLDKQCGPSV-UHFFFAOYSA-N 1 2 298.434 3.611 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1 ZINC000279647907 518602204 /nfs/dbraw/zinc/60/22/04/518602204.db2.gz KBDPSLDKQCGPSV-UHFFFAOYSA-N 1 2 298.434 3.611 20 30 CHEDLO CCC[N@H+](CC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000264904757 521594724 /nfs/dbraw/zinc/59/47/24/521594724.db2.gz ITDAXQPDCAPWLY-LLVKDONJSA-N 1 2 252.308 3.596 20 30 CHEDLO CCC[N@@H+](CC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000264904757 521594740 /nfs/dbraw/zinc/59/47/40/521594740.db2.gz ITDAXQPDCAPWLY-LLVKDONJSA-N 1 2 252.308 3.596 20 30 CHEDLO N#CCc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347471273 534719113 /nfs/dbraw/zinc/71/91/13/534719113.db2.gz WBNYTNUDMNJILM-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO N#CCc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347471273 534719115 /nfs/dbraw/zinc/71/91/15/534719115.db2.gz WBNYTNUDMNJILM-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)n1 ZINC000160368974 524851878 /nfs/dbraw/zinc/85/18/78/524851878.db2.gz XMPVHNBSRRWKPI-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)n1 ZINC000160368974 524851888 /nfs/dbraw/zinc/85/18/88/524851888.db2.gz XMPVHNBSRRWKPI-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO C=CCCC1(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000354701037 527096524 /nfs/dbraw/zinc/09/65/24/527096524.db2.gz DYPWQRKKYGSBSH-UHFFFAOYSA-N 1 2 295.386 3.772 20 30 CHEDLO CC1=C[C@H](C)C[C@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356061174 528144728 /nfs/dbraw/zinc/14/47/28/528144728.db2.gz JZPVGOWDTDNKOU-HOCLYGCPSA-N 1 2 272.392 3.988 20 30 CHEDLO CC1=C[C@H](C)C[C@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356061174 528144733 /nfs/dbraw/zinc/14/47/33/528144733.db2.gz JZPVGOWDTDNKOU-HOCLYGCPSA-N 1 2 272.392 3.988 20 30 CHEDLO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000352090467 528387118 /nfs/dbraw/zinc/38/71/18/528387118.db2.gz ALFUMXRAYDTELR-HNNXBMFYSA-N 1 2 296.418 3.587 20 30 CHEDLO CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000352090467 528387122 /nfs/dbraw/zinc/38/71/22/528387122.db2.gz ALFUMXRAYDTELR-HNNXBMFYSA-N 1 2 296.418 3.587 20 30 CHEDLO CC1(C#N)CCC(Nc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000333525048 528833238 /nfs/dbraw/zinc/83/32/38/528833238.db2.gz HURCLPBAPPEPFC-UHFFFAOYSA-N 1 2 284.407 3.566 20 30 CHEDLO CC[N@@H+](Cc1cscc1C(F)(F)F)C[C@H](C)C#N ZINC000356084853 528881286 /nfs/dbraw/zinc/88/12/86/528881286.db2.gz LTRMLJFBQLWYDT-SECBINFHSA-N 1 2 276.327 3.748 20 30 CHEDLO CC[N@H+](Cc1cscc1C(F)(F)F)C[C@H](C)C#N ZINC000356084853 528881290 /nfs/dbraw/zinc/88/12/90/528881290.db2.gz LTRMLJFBQLWYDT-SECBINFHSA-N 1 2 276.327 3.748 20 30 CHEDLO COc1cc[nH+]cc1CSCc1ccc(F)cc1C#N ZINC000341900387 537120930 /nfs/dbraw/zinc/12/09/30/537120930.db2.gz LHPZZUVPGNGRDQ-UHFFFAOYSA-N 1 2 288.347 3.534 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000775184468 1122471195 /nfs/dbraw/zinc/47/11/95/1122471195.db2.gz WIUJVRHTYIJTDN-SECBINFHSA-N 1 2 275.701 3.812 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1cccc(C#N)c1O ZINC000866545755 1124081314 /nfs/dbraw/zinc/08/13/14/1124081314.db2.gz JSGUYPJVXNVOGW-JTQLQIEISA-N 1 2 282.334 3.596 20 30 CHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(C(F)F)CC1 ZINC001139692393 1131630365 /nfs/dbraw/zinc/63/03/65/1131630365.db2.gz YYDNGITYZSHRPG-UHFFFAOYSA-N 1 2 284.737 3.689 20 30 CHEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001172872571 1132352089 /nfs/dbraw/zinc/35/20/89/1132352089.db2.gz NJMUNSJTDQMUSJ-NHYWBVRUSA-N 1 2 280.774 3.646 20 30 CHEDLO CCCCCCC/C=C/C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001208119802 1133880505 /nfs/dbraw/zinc/88/05/05/1133880505.db2.gz HGPQJZRZCBKJIY-XVJNWHFHSA-N 1 2 269.404 3.906 20 30 CHEDLO CCCCCCC/C=C/C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001208119802 1133880509 /nfs/dbraw/zinc/88/05/09/1133880509.db2.gz HGPQJZRZCBKJIY-XVJNWHFHSA-N 1 2 269.404 3.906 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](c2ccccc2)O1 ZINC000119943361 1125539445 /nfs/dbraw/zinc/53/94/45/1125539445.db2.gz TZVCYKPLCNWXSG-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](c2ccccc2)O1 ZINC000119943361 1125539450 /nfs/dbraw/zinc/53/94/50/1125539450.db2.gz TZVCYKPLCNWXSG-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO CCCCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090916 1125765077 /nfs/dbraw/zinc/76/50/77/1125765077.db2.gz FQKKQCWUKTUBQY-AWEZNQCLSA-N 1 2 290.407 3.608 20 30 CHEDLO CCCCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090916 1125765083 /nfs/dbraw/zinc/76/50/83/1125765083.db2.gz FQKKQCWUKTUBQY-AWEZNQCLSA-N 1 2 290.407 3.608 20 30 CHEDLO COc1cc(OC)c([C@@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903100533 1130111976 /nfs/dbraw/zinc/11/19/76/1130111976.db2.gz RXXUNZCUGGEDNT-SNVBAGLBSA-N 1 2 296.798 3.558 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000903105629 1130113624 /nfs/dbraw/zinc/11/36/24/1130113624.db2.gz GJUBSEGZZQZYSQ-LBPRGKRZSA-N 1 2 281.186 3.874 20 30 CHEDLO CO[C@H](C[N@H+](C[C@@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287698 1126731485 /nfs/dbraw/zinc/73/14/85/1126731485.db2.gz QARVPLGWJMSJJS-BLLLJJGKSA-N 1 2 292.810 3.652 20 30 CHEDLO CO[C@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)c1ccc(Cl)cc1 ZINC000338287698 1126731488 /nfs/dbraw/zinc/73/14/88/1126731488.db2.gz QARVPLGWJMSJJS-BLLLJJGKSA-N 1 2 292.810 3.652 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccncc1F ZINC000338339897 1126735513 /nfs/dbraw/zinc/73/55/13/1126735513.db2.gz AWMSFWVNWKLGQL-SNVBAGLBSA-N 1 2 289.741 3.597 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc(F)c2Cl)C1 ZINC001137358360 1130478890 /nfs/dbraw/zinc/47/88/90/1130478890.db2.gz KMJLZNSVEVCLEB-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(F)c2Cl)C1 ZINC001137358360 1130478893 /nfs/dbraw/zinc/47/88/93/1130478893.db2.gz KMJLZNSVEVCLEB-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc(F)ccc1F ZINC000903108490 1126794130 /nfs/dbraw/zinc/79/41/30/1126794130.db2.gz TVQCJSRAUOLSTR-LLVKDONJSA-N 1 2 264.319 3.699 20 30 CHEDLO Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1[NH+](C)C ZINC000185739911 1126902232 /nfs/dbraw/zinc/90/22/32/1126902232.db2.gz MLPRAZWPEWPPCQ-UONOGXRCSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc([NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1N(C)C ZINC000185739911 1126902234 /nfs/dbraw/zinc/90/22/34/1126902234.db2.gz MLPRAZWPEWPPCQ-UONOGXRCSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1[NH+](C)C ZINC000185739931 1126902430 /nfs/dbraw/zinc/90/24/30/1126902430.db2.gz MLPRAZWPEWPPCQ-KBPBESRZSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc([NH2+][C@H]2CCC[C@H](C#N)C2)ccc1N(C)C ZINC000185739931 1126902434 /nfs/dbraw/zinc/90/24/34/1126902434.db2.gz MLPRAZWPEWPPCQ-KBPBESRZSA-N 1 2 257.381 3.555 20 30 CHEDLO C[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(C#N)cc1 ZINC000268624035 1127019733 /nfs/dbraw/zinc/01/97/33/1127019733.db2.gz ARYXGKRMPXFTAB-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO C[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(C#N)cc1 ZINC000268624035 1127019737 /nfs/dbraw/zinc/01/97/37/1127019737.db2.gz ARYXGKRMPXFTAB-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487207246 1127025726 /nfs/dbraw/zinc/02/57/26/1127025726.db2.gz RSUUZEGKGMOGIO-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487207246 1127025729 /nfs/dbraw/zinc/02/57/29/1127025729.db2.gz RSUUZEGKGMOGIO-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000271147108 1127069639 /nfs/dbraw/zinc/06/96/39/1127069639.db2.gz ZBSHNBUEGFYCHZ-SECBINFHSA-N 1 2 257.164 3.585 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000271147108 1127069641 /nfs/dbraw/zinc/06/96/41/1127069641.db2.gz ZBSHNBUEGFYCHZ-SECBINFHSA-N 1 2 257.164 3.585 20 30 CHEDLO C=C(C)CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000351760772 1127208081 /nfs/dbraw/zinc/20/80/81/1127208081.db2.gz NBCBAMNKQRCZPO-HNNXBMFYSA-N 1 2 282.391 3.575 20 30 CHEDLO C=C(C)CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000351760772 1127208085 /nfs/dbraw/zinc/20/80/85/1127208085.db2.gz NBCBAMNKQRCZPO-HNNXBMFYSA-N 1 2 282.391 3.575 20 30 CHEDLO C=CCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000352950232 1127253482 /nfs/dbraw/zinc/25/34/82/1127253482.db2.gz MMOYUPGCPYISPM-UHFFFAOYSA-N 1 2 294.807 3.651 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)ccn1 ZINC000590763963 1127270550 /nfs/dbraw/zinc/27/05/50/1127270550.db2.gz SHAUTGFWJNHEAO-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)ccn1 ZINC000590763963 1127270552 /nfs/dbraw/zinc/27/05/52/1127270552.db2.gz SHAUTGFWJNHEAO-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000354033967 1127287719 /nfs/dbraw/zinc/28/77/19/1127287719.db2.gz OAMATDWLRPFMIA-CQSZACIVSA-N 1 2 294.402 3.509 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000354033967 1127287722 /nfs/dbraw/zinc/28/77/22/1127287722.db2.gz OAMATDWLRPFMIA-CQSZACIVSA-N 1 2 294.402 3.509 20 30 CHEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccncc1C#N ZINC000592121871 1127336427 /nfs/dbraw/zinc/33/64/27/1127336427.db2.gz JMUCVKLXDLRMOR-KRWDZBQOSA-N 1 2 295.386 3.545 20 30 CHEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccncc1C#N ZINC000592121871 1127336432 /nfs/dbraw/zinc/33/64/32/1127336432.db2.gz JMUCVKLXDLRMOR-KRWDZBQOSA-N 1 2 295.386 3.545 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592186065 1127337862 /nfs/dbraw/zinc/33/78/62/1127337862.db2.gz BBGQRGJVBXKZLP-AEFFLSMTSA-N 1 2 291.398 3.823 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592186065 1127337865 /nfs/dbraw/zinc/33/78/65/1127337865.db2.gz BBGQRGJVBXKZLP-AEFFLSMTSA-N 1 2 291.398 3.823 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592186068 1127337982 /nfs/dbraw/zinc/33/79/82/1127337982.db2.gz BBGQRGJVBXKZLP-WMZOPIPTSA-N 1 2 291.398 3.823 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592186068 1127337985 /nfs/dbraw/zinc/33/79/85/1127337985.db2.gz BBGQRGJVBXKZLP-WMZOPIPTSA-N 1 2 291.398 3.823 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592186066 1127338453 /nfs/dbraw/zinc/33/84/53/1127338453.db2.gz BBGQRGJVBXKZLP-FUHWJXTLSA-N 1 2 291.398 3.823 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592186066 1127338458 /nfs/dbraw/zinc/33/84/58/1127338458.db2.gz BBGQRGJVBXKZLP-FUHWJXTLSA-N 1 2 291.398 3.823 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1ccccn1 ZINC000355688325 1127358605 /nfs/dbraw/zinc/35/86/05/1127358605.db2.gz YREZEJITWYBDMR-CQSZACIVSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)c1ccccn1 ZINC000355688325 1127358608 /nfs/dbraw/zinc/35/86/08/1127358608.db2.gz YREZEJITWYBDMR-CQSZACIVSA-N 1 2 270.351 3.970 20 30 CHEDLO CC#CC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000357621680 1127392736 /nfs/dbraw/zinc/39/27/36/1127392736.db2.gz AXWRYIKTZDXSHK-UHFFFAOYSA-N 1 2 259.374 3.675 20 30 CHEDLO CC#CC[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000357621680 1127392739 /nfs/dbraw/zinc/39/27/39/1127392739.db2.gz AXWRYIKTZDXSHK-UHFFFAOYSA-N 1 2 259.374 3.675 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000593978046 1127401540 /nfs/dbraw/zinc/40/15/40/1127401540.db2.gz YPMMUQMGBKQVTP-INIZCTEOSA-N 1 2 278.346 3.523 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000593978046 1127401541 /nfs/dbraw/zinc/40/15/41/1127401541.db2.gz YPMMUQMGBKQVTP-INIZCTEOSA-N 1 2 278.346 3.523 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000358288703 1127413760 /nfs/dbraw/zinc/41/37/60/1127413760.db2.gz OKWJIUZGVHRIBT-MRXNPFEDSA-N 1 2 296.418 3.778 20 30 CHEDLO CCCCc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595610771 1127470176 /nfs/dbraw/zinc/47/01/76/1127470176.db2.gz BYFCDUNQDXGWOS-ZDUSSCGKSA-N 1 2 277.437 3.611 20 30 CHEDLO CCCCc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595610771 1127470179 /nfs/dbraw/zinc/47/01/79/1127470179.db2.gz BYFCDUNQDXGWOS-ZDUSSCGKSA-N 1 2 277.437 3.611 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000595610801 1127470645 /nfs/dbraw/zinc/47/06/45/1127470645.db2.gz CLVAJVSZGBXXDI-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000595610801 1127470647 /nfs/dbraw/zinc/47/06/47/1127470647.db2.gz CLVAJVSZGBXXDI-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000595711196 1127473444 /nfs/dbraw/zinc/47/34/44/1127473444.db2.gz UUVKNKYDEFYBTB-ZMSDIMECSA-N 1 2 268.404 3.947 20 30 CHEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000595711196 1127473448 /nfs/dbraw/zinc/47/34/48/1127473448.db2.gz UUVKNKYDEFYBTB-ZMSDIMECSA-N 1 2 268.404 3.947 20 30 CHEDLO Cc1cccc([C@@H](C)[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593119954 1127475264 /nfs/dbraw/zinc/47/52/64/1127475264.db2.gz KOWAAJAOORZFII-CQSZACIVSA-N 1 2 262.356 3.944 20 30 CHEDLO Cc1cccc([C@@H](C)[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593119954 1127475267 /nfs/dbraw/zinc/47/52/67/1127475267.db2.gz KOWAAJAOORZFII-CQSZACIVSA-N 1 2 262.356 3.944 20 30 CHEDLO C[N@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1C#N ZINC000359867208 1127481057 /nfs/dbraw/zinc/48/10/57/1127481057.db2.gz BFNURZYDTARPOB-UHFFFAOYSA-N 1 2 276.689 3.596 20 30 CHEDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(Cl)cc1C#N ZINC000359867208 1127481059 /nfs/dbraw/zinc/48/10/59/1127481059.db2.gz BFNURZYDTARPOB-UHFFFAOYSA-N 1 2 276.689 3.596 20 30 CHEDLO C=C1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000360895832 1127518977 /nfs/dbraw/zinc/51/89/77/1127518977.db2.gz AULOMVPKTAPATJ-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccn21 ZINC000597177495 1127532897 /nfs/dbraw/zinc/53/28/97/1127532897.db2.gz NGTANOUTHWEHFU-HNNXBMFYSA-N 1 2 296.418 3.583 20 30 CHEDLO CC(C)c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccn21 ZINC000597177495 1127532899 /nfs/dbraw/zinc/53/28/99/1127532899.db2.gz NGTANOUTHWEHFU-HNNXBMFYSA-N 1 2 296.418 3.583 20 30 CHEDLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597230617 1127535032 /nfs/dbraw/zinc/53/50/32/1127535032.db2.gz SKWUDKXBSSISPU-OAHLLOKOSA-N 1 2 262.422 3.781 20 30 CHEDLO CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597230617 1127535034 /nfs/dbraw/zinc/53/50/34/1127535034.db2.gz SKWUDKXBSSISPU-OAHLLOKOSA-N 1 2 262.422 3.781 20 30 CHEDLO N#CCC[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000361075482 1127535701 /nfs/dbraw/zinc/53/57/01/1127535701.db2.gz YZIFWOVMEBFACL-QIAWRQBBSA-N 1 2 260.406 3.920 20 30 CHEDLO N#CCC[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000361075482 1127535704 /nfs/dbraw/zinc/53/57/04/1127535704.db2.gz YZIFWOVMEBFACL-QIAWRQBBSA-N 1 2 260.406 3.920 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000602005248 1127556222 /nfs/dbraw/zinc/55/62/22/1127556222.db2.gz PGBRVXKERFBTNJ-RISCZKNCSA-N 1 2 284.334 3.704 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361316882 1127556381 /nfs/dbraw/zinc/55/63/81/1127556381.db2.gz WNHNQSAKXIFJIT-FUHWJXTLSA-N 1 2 280.371 3.799 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361316882 1127556383 /nfs/dbraw/zinc/55/63/83/1127556383.db2.gz WNHNQSAKXIFJIT-FUHWJXTLSA-N 1 2 280.371 3.799 20 30 CHEDLO Cc1ccncc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000361428465 1127563050 /nfs/dbraw/zinc/56/30/50/1127563050.db2.gz YPCXTTMSVLGMJS-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000361428465 1127563052 /nfs/dbraw/zinc/56/30/52/1127563052.db2.gz YPCXTTMSVLGMJS-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO CC[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1Cl ZINC000602441660 1127579633 /nfs/dbraw/zinc/57/96/33/1127579633.db2.gz XGRNUFDCXMQPOH-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1Cl ZINC000602441660 1127579636 /nfs/dbraw/zinc/57/96/36/1127579636.db2.gz XGRNUFDCXMQPOH-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO N#CC[N@H+](Cc1cccc2ncccc12)C1CCCC1 ZINC000602479345 1127583914 /nfs/dbraw/zinc/58/39/14/1127583914.db2.gz ZZYZDVNEWZUSAR-UHFFFAOYSA-N 1 2 265.360 3.503 20 30 CHEDLO N#CC[N@@H+](Cc1cccc2ncccc12)C1CCCC1 ZINC000602479345 1127583917 /nfs/dbraw/zinc/58/39/17/1127583917.db2.gz ZZYZDVNEWZUSAR-UHFFFAOYSA-N 1 2 265.360 3.503 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000060942768 1127623116 /nfs/dbraw/zinc/62/31/16/1127623116.db2.gz WTCLFOPXTOVMBI-UHFFFAOYSA-N 1 2 288.372 3.845 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000060942768 1127623118 /nfs/dbraw/zinc/62/31/18/1127623118.db2.gz WTCLFOPXTOVMBI-UHFFFAOYSA-N 1 2 288.372 3.845 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981264 1127624327 /nfs/dbraw/zinc/62/43/27/1127624327.db2.gz AJMHOLIECJSWII-HOTGVXAUSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981264 1127624330 /nfs/dbraw/zinc/62/43/30/1127624330.db2.gz AJMHOLIECJSWII-HOTGVXAUSA-N 1 2 295.386 3.774 20 30 CHEDLO CC[C@H]([NH2+]CC(F)(F)CC)c1ccc(C#N)cc1 ZINC000599068015 1127655312 /nfs/dbraw/zinc/65/53/12/1127655312.db2.gz AERPMJNMIYZSKE-ZDUSSCGKSA-N 1 2 252.308 3.644 20 30 CHEDLO CCC(F)(F)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000599069374 1127655325 /nfs/dbraw/zinc/65/53/25/1127655325.db2.gz XZITXFGKBCTEJG-CQSZACIVSA-N 1 2 264.319 3.571 20 30 CHEDLO CC(C)(C)c1csc(C2CC[NH+](CCC#N)CC2)n1 ZINC000371487681 1127766996 /nfs/dbraw/zinc/76/69/96/1127766996.db2.gz IPIDDUDHBXFOKZ-UHFFFAOYSA-N 1 2 277.437 3.534 20 30 CHEDLO CC(C)(C)[C@@H]([NH2+]CCC#N)c1ccc(F)cc1F ZINC000411473530 1127861871 /nfs/dbraw/zinc/86/18/71/1127861871.db2.gz KNNYRCHOFZPVCJ-ZDUSSCGKSA-N 1 2 252.308 3.555 20 30 CHEDLO C[C@H](CCC#N)[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000411673591 1127869534 /nfs/dbraw/zinc/86/95/34/1127869534.db2.gz LAJOCEQTRJSXAW-GFCCVEGCSA-N 1 2 285.366 3.747 20 30 CHEDLO C[C@H](CCC#N)[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000411673591 1127869541 /nfs/dbraw/zinc/86/95/41/1127869541.db2.gz LAJOCEQTRJSXAW-GFCCVEGCSA-N 1 2 285.366 3.747 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000442672587 1127906236 /nfs/dbraw/zinc/90/62/36/1127906236.db2.gz OMGDZBDOMZCLRT-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000442672587 1127906238 /nfs/dbraw/zinc/90/62/38/1127906238.db2.gz OMGDZBDOMZCLRT-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000442684818 1127908494 /nfs/dbraw/zinc/90/84/94/1127908494.db2.gz VWXMAUSNGLZTSX-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000442684818 1127908496 /nfs/dbraw/zinc/90/84/96/1127908496.db2.gz VWXMAUSNGLZTSX-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C=CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000467191150 1127958605 /nfs/dbraw/zinc/95/86/05/1127958605.db2.gz NHSIQTMMOFJQJW-ZDUSSCGKSA-N 1 2 284.172 3.911 20 30 CHEDLO C=CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000467191150 1127958606 /nfs/dbraw/zinc/95/86/06/1127958606.db2.gz NHSIQTMMOFJQJW-ZDUSSCGKSA-N 1 2 284.172 3.911 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(C)c(C)cc1OC ZINC001238762435 1131241835 /nfs/dbraw/zinc/24/18/35/1131241835.db2.gz GOIBSXYHXTUQHO-UHFFFAOYSA-N 1 2 274.408 3.828 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(C)c(C)cc1OC ZINC001238762435 1131241839 /nfs/dbraw/zinc/24/18/39/1131241839.db2.gz GOIBSXYHXTUQHO-UHFFFAOYSA-N 1 2 274.408 3.828 20 30 CHEDLO CC[C@H]([NH2+]Cc1cccc(OC)c1)c1cccc(C#N)c1O ZINC000924565351 1128105630 /nfs/dbraw/zinc/10/56/30/1128105630.db2.gz SFDTVUYEUCIDPK-KRWDZBQOSA-N 1 2 296.370 3.513 20 30 CHEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000925927029 1128146866 /nfs/dbraw/zinc/14/68/66/1128146866.db2.gz WZPFSNIXFVIVQR-HNNXBMFYSA-N 1 2 293.370 3.511 20 30 CHEDLO Cc1ccc([C@H]([NH2+]CC2(C#N)CCC2)c2cccnc2)cc1 ZINC000926628541 1128184868 /nfs/dbraw/zinc/18/48/68/1128184868.db2.gz WWVGGQBIVSXEDB-SFHVURJKSA-N 1 2 291.398 3.763 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1csc(C(F)(F)F)c1 ZINC000926873180 1128199353 /nfs/dbraw/zinc/19/93/53/1128199353.db2.gz DAEZZCNMUYLCEY-MRVPVSSYSA-N 1 2 274.311 3.721 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1scnc1C1CC1 ZINC000494924275 1128213259 /nfs/dbraw/zinc/21/32/59/1128213259.db2.gz SQSMTYKBDNYJAW-UHFFFAOYSA-N 1 2 277.437 3.782 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1scnc1C1CC1 ZINC000494924275 1128213262 /nfs/dbraw/zinc/21/32/62/1128213262.db2.gz SQSMTYKBDNYJAW-UHFFFAOYSA-N 1 2 277.437 3.782 20 30 CHEDLO CCSc1ccccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932151588 1128397212 /nfs/dbraw/zinc/39/72/12/1128397212.db2.gz ZPPHGKPDQKRBKR-CYBMUJFWSA-N 1 2 260.406 3.534 20 30 CHEDLO CCSc1ccccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000932151588 1128397217 /nfs/dbraw/zinc/39/72/17/1128397217.db2.gz ZPPHGKPDQKRBKR-CYBMUJFWSA-N 1 2 260.406 3.534 20 30 CHEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1C(C)C ZINC000934510938 1128462630 /nfs/dbraw/zinc/46/26/30/1128462630.db2.gz MNVMJVNRWMPOJQ-MRXNPFEDSA-N 1 2 298.430 3.545 20 30 CHEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1C(C)C ZINC000934510938 1128462632 /nfs/dbraw/zinc/46/26/32/1128462632.db2.gz MNVMJVNRWMPOJQ-MRXNPFEDSA-N 1 2 298.430 3.545 20 30 CHEDLO C=CCOCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000568420181 1128584194 /nfs/dbraw/zinc/58/41/94/1128584194.db2.gz YAUVWGZEMMMELD-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO C=CCOCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000568420181 1128584198 /nfs/dbraw/zinc/58/41/98/1128584198.db2.gz YAUVWGZEMMMELD-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000569118927 1128599457 /nfs/dbraw/zinc/59/94/57/1128599457.db2.gz XULQEKZCJJCHMX-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000569118927 1128599460 /nfs/dbraw/zinc/59/94/60/1128599460.db2.gz XULQEKZCJJCHMX-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)cc2cccnc12 ZINC000570217302 1128618712 /nfs/dbraw/zinc/61/87/12/1128618712.db2.gz CMQJNWIXFHIDFP-UHFFFAOYSA-N 1 2 288.354 3.616 20 30 CHEDLO CC(C)(CC/[NH+]=C\c1ccc(O)c(O)c1O)c1ccccc1 ZINC000920177833 1128670982 /nfs/dbraw/zinc/67/09/82/1128670982.db2.gz LJMXPIJUHWEEDS-UNOMPAQXSA-N 1 2 299.370 3.590 20 30 CHEDLO Cc1cc(CO[NH+]=C(N)c2ccc(Cl)cc2)c(C)s1 ZINC000920400315 1128680809 /nfs/dbraw/zinc/68/08/09/1128680809.db2.gz IZRYMXTYHAMMIJ-UHFFFAOYSA-N 1 2 294.807 3.855 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1cc(C(C)(C)C)on1 ZINC000577920206 1128698893 /nfs/dbraw/zinc/69/88/93/1128698893.db2.gz GAOPJKKGUWDIHV-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1cc(C(C)(C)C)on1 ZINC000577920206 1128698894 /nfs/dbraw/zinc/69/88/94/1128698894.db2.gz GAOPJKKGUWDIHV-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000072692848 1117805774 /nfs/dbraw/zinc/80/57/74/1117805774.db2.gz AWPOAZWSOZWFFF-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000072692848 1117805780 /nfs/dbraw/zinc/80/57/80/1117805780.db2.gz AWPOAZWSOZWFFF-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(F)cn2)cc1 ZINC000748075458 1117903661 /nfs/dbraw/zinc/90/36/61/1117903661.db2.gz JHIWBDDGWRARHI-UHFFFAOYSA-N 1 2 286.354 3.513 20 30 CHEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182612844 1118025453 /nfs/dbraw/zinc/02/54/53/1118025453.db2.gz YCBGNIFRKWXVKQ-CQSZACIVSA-N 1 2 285.309 3.655 20 30 CHEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182612844 1118025460 /nfs/dbraw/zinc/02/54/60/1118025460.db2.gz YCBGNIFRKWXVKQ-CQSZACIVSA-N 1 2 285.309 3.655 20 30 CHEDLO C=CC[N@@H+](Cc1ccncc1C)Cc1ccccc1F ZINC001167138965 1118055462 /nfs/dbraw/zinc/05/54/62/1118055462.db2.gz UCAYXUYUJWHWNZ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@H+](Cc1ccncc1C)Cc1ccccc1F ZINC001167138965 1118055466 /nfs/dbraw/zinc/05/54/66/1118055466.db2.gz UCAYXUYUJWHWNZ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO CC(C)[C@H](C/[NH+]=C\c1ccccc1O)c1cccnc1 ZINC000255105744 1118207415 /nfs/dbraw/zinc/20/74/15/1118207415.db2.gz BPVPRKVISWZPAH-YLRSXTQRSA-N 1 2 268.360 3.646 20 30 CHEDLO COc1cc(Nc2ccc(C#N)c(Cl)c2F)cc(C)[nH+]1 ZINC001210780415 1118385301 /nfs/dbraw/zinc/38/53/01/1118385301.db2.gz JCZNWUJHOIGJAV-UHFFFAOYSA-N 1 2 291.713 3.806 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccnc(Cl)c3)n21 ZINC000782194382 1118486809 /nfs/dbraw/zinc/48/68/09/1118486809.db2.gz NTYJOILJYQSYFZ-WAYWQWQTSA-N 1 2 297.745 3.587 20 30 CHEDLO O=C1c2ccc(F)cc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000180314953 1128786430 /nfs/dbraw/zinc/78/64/30/1128786430.db2.gz LIBMAIZZZRAHHW-ACCUITESSA-N 1 2 292.313 3.686 20 30 CHEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000068615192 1128787454 /nfs/dbraw/zinc/78/74/54/1128787454.db2.gz REJMIDJPHQPFLZ-CQSZACIVSA-N 1 2 266.344 3.871 20 30 CHEDLO FC(F)(F)[C@H]1C[C@H](C(F)(F)F)C[NH+](CC2(F)CC2)C1 ZINC000684357042 1118646577 /nfs/dbraw/zinc/64/65/77/1118646577.db2.gz PCWGJGVFRIUQKT-YUMQZZPRSA-N 1 2 293.226 3.551 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2csc(C#N)c2)C2CC2)o1 ZINC000891594991 1118718979 /nfs/dbraw/zinc/71/89/79/1118718979.db2.gz PFCQXMOVMAEYLR-UHFFFAOYSA-N 1 2 272.373 3.686 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2csc(C#N)c2)C2CC2)o1 ZINC000891594991 1118718981 /nfs/dbraw/zinc/71/89/81/1118718981.db2.gz PFCQXMOVMAEYLR-UHFFFAOYSA-N 1 2 272.373 3.686 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(C)s1 ZINC000610946357 1118910491 /nfs/dbraw/zinc/91/04/91/1118910491.db2.gz GKSQUXXJPSRMSE-SECBINFHSA-N 1 2 289.379 3.622 20 30 CHEDLO CC(C)c1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)on1 ZINC000611587309 1119052705 /nfs/dbraw/zinc/05/27/05/1119052705.db2.gz AAIGOPKJMYYJKO-LLVKDONJSA-N 1 2 287.338 3.660 20 30 CHEDLO CSc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255504235 1119068378 /nfs/dbraw/zinc/06/83/78/1119068378.db2.gz FETVUZYAEGCRLR-YFHOEESVSA-N 1 2 294.379 3.952 20 30 CHEDLO CC[C@H](C)Oc1cc(C[N@H+](CC)CCC#N)ccc1OC ZINC000127602312 1119071736 /nfs/dbraw/zinc/07/17/36/1119071736.db2.gz NLJKHTGOUAKPAW-AWEZNQCLSA-N 1 2 290.407 3.608 20 30 CHEDLO CC[C@H](C)Oc1cc(C[N@@H+](CC)CCC#N)ccc1OC ZINC000127602312 1119071739 /nfs/dbraw/zinc/07/17/39/1119071739.db2.gz NLJKHTGOUAKPAW-AWEZNQCLSA-N 1 2 290.407 3.608 20 30 CHEDLO C=CC[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(OC)cc1 ZINC000628150476 1119203441 /nfs/dbraw/zinc/20/34/41/1119203441.db2.gz SYHDJOJSWHFIHM-UHFFFAOYSA-N 1 2 298.386 3.749 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccc(OC)cc1 ZINC000628150476 1119203443 /nfs/dbraw/zinc/20/34/43/1119203443.db2.gz SYHDJOJSWHFIHM-UHFFFAOYSA-N 1 2 298.386 3.749 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167617238 1119215027 /nfs/dbraw/zinc/21/50/27/1119215027.db2.gz JPYCYAMSQCOOBR-UHFFFAOYSA-N 1 2 295.462 3.505 20 30 CHEDLO N#Cc1ccccc1CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001167633883 1119248390 /nfs/dbraw/zinc/24/83/90/1119248390.db2.gz QKICDODNFLXTIG-UHFFFAOYSA-N 1 2 286.338 3.627 20 30 CHEDLO COc1cccc2c(NCc3ccccc3C#N)cc[nH+]c12 ZINC001167634439 1119250288 /nfs/dbraw/zinc/25/02/88/1119250288.db2.gz USFLFUGPGCQKKZ-UHFFFAOYSA-N 1 2 289.338 3.727 20 30 CHEDLO Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC(CC#N)CC1 ZINC001236604112 1128837751 /nfs/dbraw/zinc/83/77/51/1128837751.db2.gz HJUQWIDJPMYTTO-UHFFFAOYSA-N 1 2 298.217 3.823 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@H](OCC)C(C)C)c1 ZINC000255569176 1119371536 /nfs/dbraw/zinc/37/15/36/1119371536.db2.gz IKLOTQIHMNONFT-KMTKGMGQSA-N 1 2 293.407 3.661 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Cl)s1 ZINC000178941233 1119387490 /nfs/dbraw/zinc/38/74/90/1119387490.db2.gz HADIUBGJOXCYPP-SNAWJCMRSA-N 1 2 288.759 3.945 20 30 CHEDLO C[N@H+](Cc1cc(Br)cs1)[C@H]1CCC[C@H]1C#N ZINC000250256612 1119398171 /nfs/dbraw/zinc/39/81/71/1119398171.db2.gz YVMAVSFPJGSSHH-CABZTGNLSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCC[C@H]1C#N ZINC000250256612 1119398172 /nfs/dbraw/zinc/39/81/72/1119398172.db2.gz YVMAVSFPJGSSHH-CABZTGNLSA-N 1 2 299.237 3.635 20 30 CHEDLO N#CCc1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000343725537 1119494884 /nfs/dbraw/zinc/49/48/84/1119494884.db2.gz FAUFJJWZGWKWJH-UHFFFAOYSA-N 1 2 278.346 3.620 20 30 CHEDLO N#CCc1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000343725537 1119494885 /nfs/dbraw/zinc/49/48/85/1119494885.db2.gz FAUFJJWZGWKWJH-UHFFFAOYSA-N 1 2 278.346 3.620 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1Br ZINC000235203247 1119502304 /nfs/dbraw/zinc/50/23/04/1119502304.db2.gz VRPAQTMVKQXWPW-SECBINFHSA-N 1 2 299.187 3.789 20 30 CHEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1F ZINC000117220318 1119598361 /nfs/dbraw/zinc/59/83/61/1119598361.db2.gz KNXHBOQPCBQGMP-RGVLZGJSSA-N 1 2 297.333 3.594 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1oc(C)nc1C)c1ccc(F)c(F)c1 ZINC000685573317 1119632715 /nfs/dbraw/zinc/63/27/15/1119632715.db2.gz HVRGOQUMQBWCJB-INIZCTEOSA-N 1 2 292.329 3.977 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612163834 1119738898 /nfs/dbraw/zinc/73/88/98/1119738898.db2.gz URIRCROJKSGHAA-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612163834 1119738903 /nfs/dbraw/zinc/73/89/03/1119738903.db2.gz URIRCROJKSGHAA-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000612164602 1119739012 /nfs/dbraw/zinc/73/90/12/1119739012.db2.gz HDIMSDZDZHXKHY-INIZCTEOSA-N 1 2 254.333 3.558 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000612164602 1119739015 /nfs/dbraw/zinc/73/90/15/1119739015.db2.gz HDIMSDZDZHXKHY-INIZCTEOSA-N 1 2 254.333 3.558 20 30 CHEDLO CCCCCCCCC[N@H+](C)Cc1csnn1 ZINC000179543024 1119750185 /nfs/dbraw/zinc/75/01/85/1119750185.db2.gz TYPGRBMBXADQMR-UHFFFAOYSA-N 1 2 255.431 3.721 20 30 CHEDLO CCCCCCCCC[N@@H+](C)Cc1csnn1 ZINC000179543024 1119750187 /nfs/dbraw/zinc/75/01/87/1119750187.db2.gz TYPGRBMBXADQMR-UHFFFAOYSA-N 1 2 255.431 3.721 20 30 CHEDLO COc1ccc2oc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2c1 ZINC000612406450 1119783135 /nfs/dbraw/zinc/78/31/35/1119783135.db2.gz MMEXDXWCMLXHQC-QGZVFWFLSA-N 1 2 284.359 3.567 20 30 CHEDLO COc1ccc2oc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2c1 ZINC000612406450 1119783137 /nfs/dbraw/zinc/78/31/37/1119783137.db2.gz MMEXDXWCMLXHQC-QGZVFWFLSA-N 1 2 284.359 3.567 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000612405588 1119784736 /nfs/dbraw/zinc/78/47/36/1119784736.db2.gz AQTDRXPPOJSMMK-SFHVURJKSA-N 1 2 284.403 3.601 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000612405588 1119784738 /nfs/dbraw/zinc/78/47/38/1119784738.db2.gz AQTDRXPPOJSMMK-SFHVURJKSA-N 1 2 284.403 3.601 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000612584950 1119802727 /nfs/dbraw/zinc/80/27/27/1119802727.db2.gz JIWLVAQLRORCTK-UHFFFAOYSA-N 1 2 283.350 3.527 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc(F)cc(F)c1 ZINC000255882262 1119865198 /nfs/dbraw/zinc/86/51/98/1119865198.db2.gz XFXKWJCIMYPGEH-PLNGDYQASA-N 1 2 284.265 3.509 20 30 CHEDLO C=CCC1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCCCC1 ZINC001670977296 1120034785 /nfs/dbraw/zinc/03/47/85/1120034785.db2.gz MORZBDYSBUBQDW-UHFFFAOYSA-N 1 2 298.390 3.735 20 30 CHEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000613666821 1120158113 /nfs/dbraw/zinc/15/81/13/1120158113.db2.gz BAIASMWWXSFIOC-ILXRZTDVSA-N 1 2 278.346 3.535 20 30 CHEDLO Cc1cc(C)cc([C@@H]([NH2+]CC2(C#N)CC2)c2cccnc2)c1 ZINC000926873532 1120173029 /nfs/dbraw/zinc/17/30/29/1120173029.db2.gz GIXHLCJLLHJELN-SFHVURJKSA-N 1 2 291.398 3.681 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H]1CCc2ccc(Cl)cc21 ZINC000428840808 1120199459 /nfs/dbraw/zinc/19/94/59/1120199459.db2.gz OJPTZIBAICDIOL-HNNXBMFYSA-N 1 2 260.768 3.729 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H]1CCc2ccc(Cl)cc21 ZINC000428840808 1120199461 /nfs/dbraw/zinc/19/94/61/1120199461.db2.gz OJPTZIBAICDIOL-HNNXBMFYSA-N 1 2 260.768 3.729 20 30 CHEDLO Cc1nc(C)c(C[N@H+](CCC#N)CC(C)(C)C)s1 ZINC000172800738 1120302524 /nfs/dbraw/zinc/30/25/24/1120302524.db2.gz BHQKJIKCBCVXKI-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO Cc1nc(C)c(C[N@@H+](CCC#N)CC(C)(C)C)s1 ZINC000172800738 1120302526 /nfs/dbraw/zinc/30/25/26/1120302526.db2.gz BHQKJIKCBCVXKI-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1C#N ZINC000066852512 1120414884 /nfs/dbraw/zinc/41/48/84/1120414884.db2.gz AICBWSJDUITPNV-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1C#N ZINC000066852512 1120414890 /nfs/dbraw/zinc/41/48/90/1120414890.db2.gz AICBWSJDUITPNV-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO N#CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000353701789 1128918060 /nfs/dbraw/zinc/91/80/60/1128918060.db2.gz HAQXREOFNPURMT-UHFFFAOYSA-N 1 2 294.276 3.969 20 30 CHEDLO CCCc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001117350357 1120471827 /nfs/dbraw/zinc/47/18/27/1120471827.db2.gz IRBOJNOJQBYABE-OUKQBFOZSA-N 1 2 294.398 3.996 20 30 CHEDLO CC(C)C[C@H](C)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000499766456 1120514334 /nfs/dbraw/zinc/51/43/34/1120514334.db2.gz BPNLJEKWOZGBJS-YESZJQIVSA-N 1 2 278.440 3.596 20 30 CHEDLO CC(C)C[C@H](C)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000499766456 1120514337 /nfs/dbraw/zinc/51/43/37/1120514337.db2.gz BPNLJEKWOZGBJS-YESZJQIVSA-N 1 2 278.440 3.596 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC000428864488 1120543921 /nfs/dbraw/zinc/54/39/21/1120543921.db2.gz CKTSVICXNLCSMR-UHFFFAOYSA-N 1 2 287.794 3.696 20 30 CHEDLO C=CC[N@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC000428864488 1120543924 /nfs/dbraw/zinc/54/39/24/1120543924.db2.gz CKTSVICXNLCSMR-UHFFFAOYSA-N 1 2 287.794 3.696 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000428866385 1120544195 /nfs/dbraw/zinc/54/41/95/1120544195.db2.gz YTJJTRUYMFTIKH-UHFFFAOYSA-N 1 2 256.393 3.787 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000428866385 1120544198 /nfs/dbraw/zinc/54/41/98/1120544198.db2.gz YTJJTRUYMFTIKH-UHFFFAOYSA-N 1 2 256.393 3.787 20 30 CHEDLO CC(C)n1c[nH+]cc1CNc1ccc(CCC#N)cc1 ZINC000922551349 1120549354 /nfs/dbraw/zinc/54/93/54/1120549354.db2.gz SDIBJGYEWSPYRB-UHFFFAOYSA-N 1 2 268.364 3.532 20 30 CHEDLO C=CC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428920606 1120567550 /nfs/dbraw/zinc/56/75/50/1120567550.db2.gz AQFOGMRTUBGLQM-BXUZGUMPSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428920606 1120567556 /nfs/dbraw/zinc/56/75/56/1120567556.db2.gz AQFOGMRTUBGLQM-BXUZGUMPSA-N 1 2 285.309 3.653 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1OC1CC1 ZINC000347730150 1120595707 /nfs/dbraw/zinc/59/57/07/1120595707.db2.gz CGTIMEMEYYFKDK-UHFFFAOYSA-N 1 2 286.419 3.990 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1OC1CC1 ZINC000347730150 1120595710 /nfs/dbraw/zinc/59/57/10/1120595710.db2.gz CGTIMEMEYYFKDK-UHFFFAOYSA-N 1 2 286.419 3.990 20 30 CHEDLO Cc1cccc2c1C[N@H+](Cc1cccc(F)c1C#N)CC2 ZINC000428985605 1120599934 /nfs/dbraw/zinc/59/99/34/1120599934.db2.gz KULKQLRPEJGENK-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1cccc2c1C[N@@H+](Cc1cccc(F)c1C#N)CC2 ZINC000428985605 1120599939 /nfs/dbraw/zinc/59/99/39/1120599939.db2.gz KULKQLRPEJGENK-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Clc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000299808180 1120650045 /nfs/dbraw/zinc/65/00/45/1120650045.db2.gz BWUSWPIYIASFFG-UHFFFAOYSA-N 1 2 281.746 3.756 20 30 CHEDLO C=CCCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533845 1120775562 /nfs/dbraw/zinc/77/55/62/1120775562.db2.gz ASPPZTNENHMNRF-GFCCVEGCSA-N 1 2 299.340 3.989 20 30 CHEDLO C=CCCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533845 1120775561 /nfs/dbraw/zinc/77/55/61/1120775561.db2.gz ASPPZTNENHMNRF-GFCCVEGCSA-N 1 2 299.340 3.989 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C2CCCCC2)n1 ZINC000662087725 1120872597 /nfs/dbraw/zinc/87/25/97/1120872597.db2.gz IYUTVVFMIAQOQT-GASCZTMLSA-N 1 2 287.407 3.800 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C2CCCCC2)n1 ZINC000662087725 1120872601 /nfs/dbraw/zinc/87/26/01/1120872601.db2.gz IYUTVVFMIAQOQT-GASCZTMLSA-N 1 2 287.407 3.800 20 30 CHEDLO N#C[C@H]1CC[C@H]([NH2+]c2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001167845880 1121087118 /nfs/dbraw/zinc/08/71/18/1121087118.db2.gz ZEUKFMOPPIZNQR-CZIWCDLHSA-N 1 2 295.430 3.880 20 30 CHEDLO N#C[C@H]1CC[C@H](Nc2cc3c4c(c2)CCC[NH+]4CCC3)CC1 ZINC001167845880 1121087128 /nfs/dbraw/zinc/08/71/28/1121087128.db2.gz ZEUKFMOPPIZNQR-CZIWCDLHSA-N 1 2 295.430 3.880 20 30 CHEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC001175351776 1121293218 /nfs/dbraw/zinc/29/32/18/1121293218.db2.gz UTLURCZGCOLMTH-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000584816373 1121298987 /nfs/dbraw/zinc/29/89/87/1121298987.db2.gz OXOXCWHLWKFFPR-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000584816373 1121298993 /nfs/dbraw/zinc/29/89/93/1121298993.db2.gz OXOXCWHLWKFFPR-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO N#Cc1cc(F)cc(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001175684948 1121431911 /nfs/dbraw/zinc/43/19/11/1121431911.db2.gz FKYIZIXQSAKTJI-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000509790986 1121580442 /nfs/dbraw/zinc/58/04/42/1121580442.db2.gz YSMQGYUZCHLWLP-NSHDSACASA-N 1 2 250.411 3.637 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C#N)c2ccccc12 ZINC001176121443 1121557841 /nfs/dbraw/zinc/55/78/41/1121557841.db2.gz IKNNNMOXJRNBEY-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000509790986 1121580439 /nfs/dbraw/zinc/58/04/39/1121580439.db2.gz YSMQGYUZCHLWLP-NSHDSACASA-N 1 2 250.411 3.637 20 30 CHEDLO N#Cc1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000077982068 1121595152 /nfs/dbraw/zinc/59/51/52/1121595152.db2.gz KOYDPBLRSSSKDE-UHFFFAOYSA-N 1 2 296.717 3.585 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3ccc(C)cn13)C2 ZINC000178768154 1121599250 /nfs/dbraw/zinc/59/92/50/1121599250.db2.gz JYLASUPSELHHOG-OQLLNIDSSA-N 1 2 288.350 3.774 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)s1 ZINC000611274509 1121633477 /nfs/dbraw/zinc/63/34/77/1121633477.db2.gz GRBHNKRTDQMIQS-OAHLLOKOSA-N 1 2 272.348 3.706 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)s1 ZINC000611274509 1121633481 /nfs/dbraw/zinc/63/34/81/1121633481.db2.gz GRBHNKRTDQMIQS-OAHLLOKOSA-N 1 2 272.348 3.706 20 30 CHEDLO N#Cc1csc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000611274497 1121633493 /nfs/dbraw/zinc/63/34/93/1121633493.db2.gz CNXZCJYUFIFNPK-OAHLLOKOSA-N 1 2 272.348 3.706 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000611274497 1121633496 /nfs/dbraw/zinc/63/34/96/1121633496.db2.gz CNXZCJYUFIFNPK-OAHLLOKOSA-N 1 2 272.348 3.706 20 30 CHEDLO C#Cc1cc(Nc2cc(Cl)ccc2OC(C)C)cc[nH+]1 ZINC001176644224 1121667714 /nfs/dbraw/zinc/66/77/14/1121667714.db2.gz SRWDAOFSFVWMFZ-UHFFFAOYSA-N 1 2 286.762 3.669 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000397597040 1121689401 /nfs/dbraw/zinc/68/94/01/1121689401.db2.gz DTRILZWWYQMYOZ-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000397597040 1121689405 /nfs/dbraw/zinc/68/94/05/1121689405.db2.gz DTRILZWWYQMYOZ-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO Fc1cccc2c1CCC2=NNc1cc[nH+]c2ccccc12 ZINC000730147569 1121794514 /nfs/dbraw/zinc/79/45/14/1121794514.db2.gz QYJWIBAARMAHKW-UHFFFAOYSA-N 1 2 291.329 3.558 20 30 CHEDLO CCCC[N@H+](C)c1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000730567257 1121815465 /nfs/dbraw/zinc/81/54/65/1121815465.db2.gz RHZZEUIUYIJEME-UHFFFAOYSA-N 1 2 280.375 3.933 20 30 CHEDLO CCCC[N@@H+](C)c1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000730567257 1121815474 /nfs/dbraw/zinc/81/54/74/1121815474.db2.gz RHZZEUIUYIJEME-UHFFFAOYSA-N 1 2 280.375 3.933 20 30 CHEDLO CCc1c2cc(C)ccc2oc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731157393 1121851341 /nfs/dbraw/zinc/85/13/41/1121851341.db2.gz WVYGVRWFJWDBNQ-FNORWQNLSA-N 1 2 280.327 3.923 20 30 CHEDLO CCOc1cccc(/C=[NH+]\C[C@H]2CCc3ccccc32)c1O ZINC000731937672 1121896850 /nfs/dbraw/zinc/89/68/50/1121896850.db2.gz MNQPERSRSHXBSK-CTFRJJSNSA-N 1 2 295.382 3.940 20 30 CHEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCc3ccccc32)c1O ZINC000731937674 1121898033 /nfs/dbraw/zinc/89/80/33/1121898033.db2.gz MNQPERSRSHXBSK-NPRIEWAGSA-N 1 2 295.382 3.940 20 30 CHEDLO CCN(CC)c1ccc(NCc2ccc(C#N)c(F)c2)c[nH+]1 ZINC000421341097 1122096945 /nfs/dbraw/zinc/09/69/45/1122096945.db2.gz KTRQXVLWLLKZDZ-UHFFFAOYSA-N 1 2 298.365 3.551 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC001182160012 1122116095 /nfs/dbraw/zinc/11/60/95/1122116095.db2.gz DLHIIBWCMASBMM-OAHLLOKOSA-N 1 2 291.181 3.853 20 30 CHEDLO CO[C@@H]1CCC[C@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000774543531 1122189228 /nfs/dbraw/zinc/18/92/28/1122189228.db2.gz XDKHMWANOCOLBN-PWQPLGCDSA-N 1 2 283.371 3.779 20 30 CHEDLO N#Cc1ccc(Cl)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968952 1122304210 /nfs/dbraw/zinc/30/42/10/1122304210.db2.gz QYLQLKWUFFVBTQ-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514233333 1122391928 /nfs/dbraw/zinc/39/19/28/1122391928.db2.gz YPNUIHWDPYCBOG-LLVKDONJSA-N 1 2 291.395 3.913 20 30 CHEDLO C=C(C)C[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514233333 1122391932 /nfs/dbraw/zinc/39/19/32/1122391932.db2.gz YPNUIHWDPYCBOG-LLVKDONJSA-N 1 2 291.395 3.913 20 30 CHEDLO OCCCCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000183385109 1129051525 /nfs/dbraw/zinc/05/15/25/1129051525.db2.gz CZAOZVDBCNKBQM-QGOAFFKASA-N 1 2 271.360 3.517 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)n1 ZINC000688603410 1129052383 /nfs/dbraw/zinc/05/23/83/1129052383.db2.gz ZKEZRLMCSKBVQE-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)n1 ZINC000688603410 1129052386 /nfs/dbraw/zinc/05/23/86/1129052386.db2.gz ZKEZRLMCSKBVQE-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO C=CCC[C@H]1CCCN1c1nc2ccccc2n2c[nH+]cc12 ZINC001187799249 1122443074 /nfs/dbraw/zinc/44/30/74/1122443074.db2.gz QILMYUGIQIMVLI-AWEZNQCLSA-N 1 2 292.386 3.818 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000775184468 1122471190 /nfs/dbraw/zinc/47/11/90/1122471190.db2.gz WIUJVRHTYIJTDN-SECBINFHSA-N 1 2 275.701 3.812 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC000516494613 1122605333 /nfs/dbraw/zinc/60/53/33/1122605333.db2.gz QDBXCCLWGLQUMM-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC000516494613 1122605334 /nfs/dbraw/zinc/60/53/34/1122605334.db2.gz QDBXCCLWGLQUMM-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO CCC[N@H+](CC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437690674 1122649564 /nfs/dbraw/zinc/64/95/64/1122649564.db2.gz ZPBKMYGJZFRVTR-IAGOWNOFSA-N 1 2 256.393 3.732 20 30 CHEDLO CCC[N@@H+](CC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437690674 1122649567 /nfs/dbraw/zinc/64/95/67/1122649567.db2.gz ZPBKMYGJZFRVTR-IAGOWNOFSA-N 1 2 256.393 3.732 20 30 CHEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000429625705 1122732924 /nfs/dbraw/zinc/73/29/24/1122732924.db2.gz KUGRLYHUDFCODU-QGZVFWFLSA-N 1 2 279.387 3.627 20 30 CHEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000429625705 1122732930 /nfs/dbraw/zinc/73/29/30/1122732930.db2.gz KUGRLYHUDFCODU-QGZVFWFLSA-N 1 2 279.387 3.627 20 30 CHEDLO CCCCCCCCCCOC(=O)NCc1c[nH+]cn1C ZINC001194923634 1122822860 /nfs/dbraw/zinc/82/28/60/1122822860.db2.gz QTGHPKFQURNWIJ-UHFFFAOYSA-N 1 2 295.427 3.787 20 30 CHEDLO N#Cc1cc(C[NH+]2CC(c3cccc(Cl)c3)C2)cs1 ZINC000894743300 1122901172 /nfs/dbraw/zinc/90/11/72/1122901172.db2.gz QKYJMXQAWSXJKU-UHFFFAOYSA-N 1 2 288.803 3.873 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001196348553 1122917960 /nfs/dbraw/zinc/91/79/60/1122917960.db2.gz OQMLRMAGMHKGHJ-WFASDCNBSA-N 1 2 292.220 3.998 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001196348553 1122917963 /nfs/dbraw/zinc/91/79/63/1122917963.db2.gz OQMLRMAGMHKGHJ-WFASDCNBSA-N 1 2 292.220 3.998 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342722 1122991561 /nfs/dbraw/zinc/99/15/61/1122991561.db2.gz QFVGPHUYEVUIQG-STQMWFEESA-N 1 2 297.377 3.747 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342722 1122991566 /nfs/dbraw/zinc/99/15/66/1122991566.db2.gz QFVGPHUYEVUIQG-STQMWFEESA-N 1 2 297.377 3.747 20 30 CHEDLO N#CCCCC[NH2+][C@H](c1cccc(Cl)c1)C(F)F ZINC000880535726 1123028057 /nfs/dbraw/zinc/02/80/57/1123028057.db2.gz HTCCLEXMHDQMKV-GFCCVEGCSA-N 1 2 272.726 3.930 20 30 CHEDLO CC[C@H](F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000440773724 1123037964 /nfs/dbraw/zinc/03/79/64/1123037964.db2.gz YWWOLGJDPLYRNC-ZETCQYMHSA-N 1 2 281.215 3.551 20 30 CHEDLO CC[C@H](F)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000440773724 1123037968 /nfs/dbraw/zinc/03/79/68/1123037968.db2.gz YWWOLGJDPLYRNC-ZETCQYMHSA-N 1 2 281.215 3.551 20 30 CHEDLO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC#N ZINC000441064944 1123054267 /nfs/dbraw/zinc/05/42/67/1123054267.db2.gz INKXQKCAJJOGAW-HNAYVOBHSA-N 1 2 276.383 3.589 20 30 CHEDLO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC#N ZINC000441064944 1123054271 /nfs/dbraw/zinc/05/42/71/1123054271.db2.gz INKXQKCAJJOGAW-HNAYVOBHSA-N 1 2 276.383 3.589 20 30 CHEDLO C=C(C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000776089547 1123054833 /nfs/dbraw/zinc/05/48/33/1123054833.db2.gz UTMCSRDBICKBLI-UHFFFAOYSA-N 1 2 273.763 3.849 20 30 CHEDLO Cc1ccc(C[N@H+](C)CC#Cc2ccccc2Cl)o1 ZINC000441147991 1123063914 /nfs/dbraw/zinc/06/39/14/1123063914.db2.gz YYWIHQAOGYSGCW-UHFFFAOYSA-N 1 2 273.763 3.725 20 30 CHEDLO Cc1ccc(C[N@@H+](C)CC#Cc2ccccc2Cl)o1 ZINC000441147991 1123063916 /nfs/dbraw/zinc/06/39/16/1123063916.db2.gz YYWIHQAOGYSGCW-UHFFFAOYSA-N 1 2 273.763 3.725 20 30 CHEDLO N#CC1(F)CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000343236181 1123096966 /nfs/dbraw/zinc/09/69/66/1123096966.db2.gz HBJCVKINJIUPIN-UHFFFAOYSA-N 1 2 289.741 3.720 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2cc(C#N)c(C#N)cc2N)cc1 ZINC001201498691 1123111483 /nfs/dbraw/zinc/11/14/83/1123111483.db2.gz BPKXPROVVYQGMV-UHFFFAOYSA-N 1 2 291.358 3.576 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(F)cc(F)c1O ZINC000850552198 1123290020 /nfs/dbraw/zinc/29/00/20/1123290020.db2.gz YFALHEGFYGJJIH-NSHDSACASA-N 1 2 294.345 3.795 20 30 CHEDLO N#Cc1cc(Nc2ccc([NH2+]CC3CCCC3)cc2)ncn1 ZINC000521344424 1123319656 /nfs/dbraw/zinc/31/96/56/1123319656.db2.gz NGASAVIYRQYURB-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO Clc1cc(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)ccn1 ZINC000853395362 1123439567 /nfs/dbraw/zinc/43/95/67/1123439567.db2.gz URPSCZCGKACEDK-SNVBAGLBSA-N 1 2 298.777 3.854 20 30 CHEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000776793212 1123506275 /nfs/dbraw/zinc/50/62/75/1123506275.db2.gz NRSDYBPWMWGPOV-GOSISDBHSA-N 1 2 286.419 3.680 20 30 CHEDLO Cc1cc(C)c2cc(N[C@@H]3CC[C@H](C#N)C3)ccc2[nH+]1 ZINC000895879637 1123524205 /nfs/dbraw/zinc/52/42/05/1123524205.db2.gz SUYRSBAUVAPXIK-UONOGXRCSA-N 1 2 265.360 3.956 20 30 CHEDLO C/C(Cl)=C\C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000528392954 1123531366 /nfs/dbraw/zinc/53/13/66/1123531366.db2.gz HMVYOHLKUBCJTO-FKZVYCBESA-N 1 2 274.795 3.901 20 30 CHEDLO C/C(Cl)=C\C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000528392954 1123531370 /nfs/dbraw/zinc/53/13/70/1123531370.db2.gz HMVYOHLKUBCJTO-FKZVYCBESA-N 1 2 274.795 3.901 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000896501372 1123591305 /nfs/dbraw/zinc/59/13/05/1123591305.db2.gz RCIYUWLIQSIUAL-CQSZACIVSA-N 1 2 282.309 3.527 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000896501372 1123591309 /nfs/dbraw/zinc/59/13/09/1123591309.db2.gz RCIYUWLIQSIUAL-CQSZACIVSA-N 1 2 282.309 3.527 20 30 CHEDLO CC1(C)CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141901365 1123598326 /nfs/dbraw/zinc/59/83/26/1123598326.db2.gz ULXZTJHKWFZFQS-UHFFFAOYSA-N 1 2 293.208 3.553 20 30 CHEDLO CC1(C)CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141901365 1123598329 /nfs/dbraw/zinc/59/83/29/1123598329.db2.gz ULXZTJHKWFZFQS-UHFFFAOYSA-N 1 2 293.208 3.553 20 30 CHEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000281174087 1123684731 /nfs/dbraw/zinc/68/47/31/1123684731.db2.gz QYJCHXKTSLIJNP-KRWDZBQOSA-N 1 2 294.402 3.502 20 30 CHEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000281174087 1123684732 /nfs/dbraw/zinc/68/47/32/1123684732.db2.gz QYJCHXKTSLIJNP-KRWDZBQOSA-N 1 2 294.402 3.502 20 30 CHEDLO N#Cc1c(F)cccc1CNc1ccc([NH+]2CCCC2)cc1 ZINC000864002951 1123908236 /nfs/dbraw/zinc/90/82/36/1123908236.db2.gz ZXSBYLZFBMMJON-UHFFFAOYSA-N 1 2 295.361 3.910 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCCc2cccc(C)n2)c(O)c1 ZINC000794682317 1123926762 /nfs/dbraw/zinc/92/67/62/1123926762.db2.gz UYPPUIAPFZJBIS-UYRXBGFRSA-N 1 2 298.386 3.546 20 30 CHEDLO Cc1cc(NCc2cc(C#N)cs2)ccc1[NH+](C)C ZINC000120188973 1123941129 /nfs/dbraw/zinc/94/11/29/1123941129.db2.gz JTIDPVVSLBACTN-UHFFFAOYSA-N 1 2 271.389 3.606 20 30 CHEDLO C=C(C)C(=O)OCCNc1cc(C)c2cc(C)cc(C)c2[nH+]1 ZINC001168070364 1124005345 /nfs/dbraw/zinc/00/53/45/1124005345.db2.gz BAYFOYVSFHYHAN-UHFFFAOYSA-N 1 2 298.386 3.691 20 30 CHEDLO C=C(C)C(=O)OCCNc1cc(-c2ccc(C)cc2)cc[nH+]1 ZINC001168069943 1124005832 /nfs/dbraw/zinc/00/58/32/1124005832.db2.gz APHRLEQXCPUNKF-UHFFFAOYSA-N 1 2 296.370 3.588 20 30 CHEDLO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cccc(C#N)c1O ZINC000866383770 1124060058 /nfs/dbraw/zinc/06/00/58/1124060058.db2.gz QXJXGPPPQABGQY-COLVAYQJSA-N 1 2 296.773 3.619 20 30 CHEDLO N#C[C@H]1[N@H+](CC2CCCCCC2)CCC[C@@]12CCCCO2 ZINC000447907561 1124542257 /nfs/dbraw/zinc/54/22/57/1124542257.db2.gz SGNISIMPZZQDQF-MSOLQXFVSA-N 1 2 290.451 3.884 20 30 CHEDLO N#C[C@H]1[N@@H+](CC2CCCCCC2)CCC[C@@]12CCCCO2 ZINC000447907561 1124542260 /nfs/dbraw/zinc/54/22/60/1124542260.db2.gz SGNISIMPZZQDQF-MSOLQXFVSA-N 1 2 290.451 3.884 20 30 CHEDLO CCC(CC)n1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000448446605 1124582039 /nfs/dbraw/zinc/58/20/39/1124582039.db2.gz KTOPYKAUPAGTAV-UHFFFAOYSA-N 1 2 296.418 3.748 20 30 CHEDLO CCC(CC)n1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000448446605 1124582049 /nfs/dbraw/zinc/58/20/49/1124582049.db2.gz KTOPYKAUPAGTAV-UHFFFAOYSA-N 1 2 296.418 3.748 20 30 CHEDLO Cc1ccc(CSCc2ccc(C#N)o2)c(C)[nH+]1 ZINC000871701733 1124629638 /nfs/dbraw/zinc/62/96/38/1124629638.db2.gz OZRGAKNDROBITK-UHFFFAOYSA-N 1 2 258.346 3.597 20 30 CHEDLO C=CCCCC[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000449317175 1124691920 /nfs/dbraw/zinc/69/19/20/1124691920.db2.gz BPCHFTXSAAMBBH-OAHLLOKOSA-N 1 2 284.407 3.873 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cccc2c(OC)cccc12 ZINC000449336383 1124699264 /nfs/dbraw/zinc/69/92/64/1124699264.db2.gz NOLWACBYJLCTDC-UHFFFAOYSA-N 1 2 280.371 3.750 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cccc2c(OC)cccc12 ZINC000449336383 1124699267 /nfs/dbraw/zinc/69/92/67/1124699267.db2.gz NOLWACBYJLCTDC-UHFFFAOYSA-N 1 2 280.371 3.750 20 30 CHEDLO C=C(C)COc1cc(C[NH2+][C@@H](CC)C(F)F)ccc1OC ZINC000449358364 1124710453 /nfs/dbraw/zinc/71/04/53/1124710453.db2.gz FSGMDOWFBGTPKT-ZDUSSCGKSA-N 1 2 299.361 3.783 20 30 CHEDLO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1cccc(C#N)c1O ZINC000925224614 1124907519 /nfs/dbraw/zinc/90/75/19/1124907519.db2.gz JHVFRCXSJPJVCW-GUYCJALGSA-N 1 2 295.386 3.503 20 30 CHEDLO CC(C)([NH2+]CC1(C#N)CCC1)c1cccc(Cl)c1F ZINC000450767678 1125101361 /nfs/dbraw/zinc/10/13/61/1125101361.db2.gz VKTICBCFMKBSAF-UHFFFAOYSA-N 1 2 280.774 3.998 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000049943069 1125229522 /nfs/dbraw/zinc/22/95/22/1125229522.db2.gz ZOGURXMFUWBGIT-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000049943069 1125229529 /nfs/dbraw/zinc/22/95/29/1125229529.db2.gz ZOGURXMFUWBGIT-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1nnc(CC)o1)c1ccccc1 ZINC000880387487 1125270880 /nfs/dbraw/zinc/27/08/80/1125270880.db2.gz AQPVQAAPORZWGV-HNNXBMFYSA-N 1 2 285.391 3.819 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000880388967 1125271305 /nfs/dbraw/zinc/27/13/05/1125271305.db2.gz CWCLIVVSMBOUQG-OAHLLOKOSA-N 1 2 273.405 3.725 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc2c(s1)CCC2 ZINC000132049738 1125414202 /nfs/dbraw/zinc/41/42/02/1125414202.db2.gz YEFKVGCKQNAZOU-BQYQJAHWSA-N 1 2 294.379 3.781 20 30 CHEDLO Cc1ccc2c(Nc3cc(F)cnc3C#N)cccc2[nH+]1 ZINC001212797085 1125430551 /nfs/dbraw/zinc/43/05/51/1125430551.db2.gz XKGBMGRKZIIAIT-UHFFFAOYSA-N 1 2 278.290 3.693 20 30 CHEDLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc(F)cc1 ZINC000072035581 1129183357 /nfs/dbraw/zinc/18/33/57/1129183357.db2.gz GWXRMDRIXFLLOM-UHFFFAOYSA-N 1 2 292.741 3.511 20 30 CHEDLO Fc1ccc2c(c1)CCC2=NNc1cc[nH+]c2ccccc12 ZINC000734299253 1129300471 /nfs/dbraw/zinc/30/04/71/1129300471.db2.gz LFGJNVOHMPHXMD-UHFFFAOYSA-N 1 2 291.329 3.558 20 30 CHEDLO Cc1ccsc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000741468081 1129436863 /nfs/dbraw/zinc/43/68/63/1129436863.db2.gz SSYKRWVNTMNVOC-AATRIKPKSA-N 1 2 282.368 3.909 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)Cc2cccs2)c1 ZINC000741464478 1129436994 /nfs/dbraw/zinc/43/69/94/1129436994.db2.gz PDBDAVNBMSWIDD-OOIIIRTPSA-N 1 2 289.400 3.760 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2ccc(C)cc2)c1 ZINC000737440211 1129448097 /nfs/dbraw/zinc/44/80/97/1129448097.db2.gz FPJLVTARBUCNQF-ONDHQXCVSA-N 1 2 283.371 3.932 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cccc(O)c1 ZINC000737444452 1129449474 /nfs/dbraw/zinc/44/94/74/1129449474.db2.gz RKRGGICXDPHJSH-AATRIKPKSA-N 1 2 298.729 3.589 20 30 CHEDLO Cc1ccc([C@@H](C)Nc2cc(C3(C#N)CC3)cc[nH+]2)nc1 ZINC001168852783 1129676523 /nfs/dbraw/zinc/67/65/23/1129676523.db2.gz VHIHEHUMVPJRFM-CYBMUJFWSA-N 1 2 278.359 3.513 20 30 CHEDLO CC[N@@H+](c1ccc(Nc2nc(C)cc(C#N)n2)cc1)C(C)C ZINC000804321258 1129724163 /nfs/dbraw/zinc/72/41/63/1129724163.db2.gz LKMAJWCWEKYYAM-UHFFFAOYSA-N 1 2 295.390 3.635 20 30 CHEDLO CC[N@H+](c1ccc(Nc2nc(C)cc(C#N)n2)cc1)C(C)C ZINC000804321258 1129724165 /nfs/dbraw/zinc/72/41/65/1129724165.db2.gz LKMAJWCWEKYYAM-UHFFFAOYSA-N 1 2 295.390 3.635 20 30 CHEDLO Cc1cc([NH2+]C23CCC(C#N)(CC2)CC3)ccc1N ZINC001169750610 1129752835 /nfs/dbraw/zinc/75/28/35/1129752835.db2.gz ILKJZMMMXBOOJS-UHFFFAOYSA-N 1 2 255.365 3.606 20 30 CHEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000768154383 1129835845 /nfs/dbraw/zinc/83/58/45/1129835845.db2.gz SGDJGSVARXCLPB-UHFFFAOYSA-N 1 2 290.455 3.627 20 30 CHEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC000768154383 1129835847 /nfs/dbraw/zinc/83/58/47/1129835847.db2.gz SGDJGSVARXCLPB-UHFFFAOYSA-N 1 2 290.455 3.627 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000768153522 1129836559 /nfs/dbraw/zinc/83/65/59/1129836559.db2.gz HPVROSJDHUGOFZ-UKRRQHHQSA-N 1 2 260.381 3.775 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000768153522 1129836564 /nfs/dbraw/zinc/83/65/64/1129836564.db2.gz HPVROSJDHUGOFZ-UKRRQHHQSA-N 1 2 260.381 3.775 20 30 CHEDLO Cc1[nH+]c(C(C)N=Nc2cc(Cl)ccc2Cl)cn1C ZINC000800813920 1129890098 /nfs/dbraw/zinc/89/00/98/1129890098.db2.gz MLPWWMCVYMOLLQ-UHFFFAOYSA-N 1 2 297.189 3.871 20 30 CHEDLO O=C1c2cccc(Cl)c2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769609129 1129918956 /nfs/dbraw/zinc/91/89/56/1129918956.db2.gz XEYPYSYITPANLT-LUAWRHEFSA-N 1 2 294.741 3.810 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccccc1Cl ZINC000769601674 1129919036 /nfs/dbraw/zinc/91/90/36/1129919036.db2.gz IOCZCKIWCUYNFC-HJWRWDBZSA-N 1 2 282.730 3.884 20 30 CHEDLO CCOc1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000769609450 1129919041 /nfs/dbraw/zinc/91/90/41/1129919041.db2.gz JOEXHTXAJJCILS-KTKRTIGZSA-N 1 2 292.338 3.629 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc(F)ccc1F ZINC000769606719 1129919164 /nfs/dbraw/zinc/91/91/64/1129919164.db2.gz DLBWGALIXRKDJE-ALCCZGGFSA-N 1 2 284.265 3.509 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2ccccc2C1=O ZINC000901416385 1129922827 /nfs/dbraw/zinc/92/28/27/1129922827.db2.gz GPOOQHCHWFSGNI-NTEUORMPSA-N 1 2 266.344 3.677 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901427476 1129924148 /nfs/dbraw/zinc/92/41/48/1129924148.db2.gz JNKBDAYAZRKGGV-BQYQJAHWSA-N 1 2 254.333 3.669 20 30 CHEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)CO2 ZINC000901463179 1129927566 /nfs/dbraw/zinc/92/75/66/1129927566.db2.gz HSLKLZOYJHBSLG-AUWJEWJLSA-N 1 2 296.370 3.740 20 30 CHEDLO Cc1cc(F)ccc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901473589 1129928156 /nfs/dbraw/zinc/92/81/56/1129928156.db2.gz LDLPRYSOHCPGDD-FNORWQNLSA-N 1 2 272.323 3.808 20 30 CHEDLO Cc1[nH]c(/C=C2/C[C@@H](C)c3ccccc3C2=O)[nH+]c1C ZINC000901486307 1129929295 /nfs/dbraw/zinc/92/92/95/1129929295.db2.gz ARSRTGWKSVILOM-PEHNMLCRSA-N 1 2 266.344 3.800 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(c(F)ccc2F)C1=O ZINC000901487082 1129929595 /nfs/dbraw/zinc/92/95/95/1129929595.db2.gz ZQISFIHYAQSSDU-YHYXMXQVSA-N 1 2 288.297 3.565 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1Br ZINC000769961192 1129931735 /nfs/dbraw/zinc/93/17/35/1129931735.db2.gz PWSJNIFJICYROW-SECBINFHSA-N 1 2 286.600 3.556 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Br ZINC000769961192 1129931736 /nfs/dbraw/zinc/93/17/36/1129931736.db2.gz PWSJNIFJICYROW-SECBINFHSA-N 1 2 286.600 3.556 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccccc2[C@H]1C(C)C ZINC000901500915 1129931771 /nfs/dbraw/zinc/93/17/71/1129931771.db2.gz UTQWPGIZHJRQDN-VHEJECIDSA-N 1 2 280.371 3.923 20 30 CHEDLO CSc1ccc2c(c1)C(=O)/C(=C/c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901525146 1129933136 /nfs/dbraw/zinc/93/31/36/1129933136.db2.gz TWPBDIFGSGCOPH-MDWZMJQESA-N 1 2 298.411 3.961 20 30 CHEDLO Oc1cccc(/C=[NH+]\CC2CC(c3ccccc3)C2)c1O ZINC000801646129 1129935758 /nfs/dbraw/zinc/93/57/58/1129935758.db2.gz MFJPFROPFKLHPJ-UNOMPAQXSA-N 1 2 281.355 3.711 20 30 CHEDLO Fc1c(Cl)cccc1N=NCc1cccc2[nH+]ccn21 ZINC000771099017 1129972139 /nfs/dbraw/zinc/97/21/39/1129972139.db2.gz CAKCHOCZUQCJEI-UHFFFAOYSA-N 1 2 288.713 3.573 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3/CCCC(C)(C)C3=O)n2c1 ZINC000771858767 1129994162 /nfs/dbraw/zinc/99/41/62/1129994162.db2.gz LCYYQEKIHLKCIK-LCYFTJDESA-N 1 2 268.360 3.805 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(O)c(C)c3)n2c1 ZINC000771858217 1129994233 /nfs/dbraw/zinc/99/42/33/1129994233.db2.gz HSWYZWRFHLGNEQ-FNORWQNLSA-N 1 2 292.338 3.553 20 30 CHEDLO CCC(CC)[C@@H](CC/[NH+]=C\c1cccc(OC)c1O)OC ZINC000746521511 1130001556 /nfs/dbraw/zinc/00/15/56/1130001556.db2.gz IRGIRVTXIILKNW-PWDRBQJJSA-N 1 2 293.407 3.661 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1cc(C#N)ccn1 ZINC000902756443 1130051571 /nfs/dbraw/zinc/05/15/71/1130051571.db2.gz ZRZGKFMRNHRCBJ-SLEUVZQESA-N 1 2 281.359 3.520 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1cc(C#N)ccn1 ZINC000903081401 1130109751 /nfs/dbraw/zinc/10/97/51/1130109751.db2.gz VUHIOCKJXZQMKP-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1F)c1cc(C#N)ccn1 ZINC000903093560 1130111648 /nfs/dbraw/zinc/11/16/48/1130111648.db2.gz IWBDQIRJAFLRCN-ULFGMLNVSA-N 1 2 295.361 3.629 20 30 CHEDLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100503 1130112203 /nfs/dbraw/zinc/11/22/03/1130112203.db2.gz QKAOPNDQQQSIDZ-SNVBAGLBSA-N 1 2 266.772 3.549 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000787310582 1130146905 /nfs/dbraw/zinc/14/69/05/1130146905.db2.gz OZYCMTMTTLUSIG-GFCCVEGCSA-N 1 2 251.757 3.586 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000787310582 1130146909 /nfs/dbraw/zinc/14/69/09/1130146909.db2.gz OZYCMTMTTLUSIG-GFCCVEGCSA-N 1 2 251.757 3.586 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787311602 1130147081 /nfs/dbraw/zinc/14/70/81/1130147081.db2.gz WTYCDBIKLMRKRJ-LBPRGKRZSA-N 1 2 269.747 3.725 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787311602 1130147083 /nfs/dbraw/zinc/14/70/83/1130147083.db2.gz WTYCDBIKLMRKRJ-LBPRGKRZSA-N 1 2 269.747 3.725 20 30 CHEDLO C#CCCC[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000788779099 1130211470 /nfs/dbraw/zinc/21/14/70/1130211470.db2.gz UWHUKKYCDJUQNZ-HNNXBMFYSA-N 1 2 281.346 3.783 20 30 CHEDLO CC(C)Oc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1Cl ZINC000789157955 1130234632 /nfs/dbraw/zinc/23/46/32/1130234632.db2.gz RZNYVOQXBJLWBH-GQCTYLIASA-N 1 2 290.750 3.746 20 30 CHEDLO COc1cccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)c1 ZINC000748994190 1130257890 /nfs/dbraw/zinc/25/78/90/1130257890.db2.gz JTZFDTSFWYHZIN-MDZDMXLPSA-N 1 2 292.338 3.547 20 30 CHEDLO Clc1sccc1C=NNc1cc[nH+]c2ccccc12 ZINC000790161050 1130292870 /nfs/dbraw/zinc/29/28/70/1130292870.db2.gz BFXPLJMKAXAQOM-UHFFFAOYSA-N 1 2 287.775 3.818 20 30 CHEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000677818468 1130333394 /nfs/dbraw/zinc/33/33/94/1130333394.db2.gz OWTMHKQHKSVWOY-OAHLLOKOSA-N 1 2 298.213 3.780 20 30 CHEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000677818468 1130333401 /nfs/dbraw/zinc/33/34/01/1130333401.db2.gz OWTMHKQHKSVWOY-OAHLLOKOSA-N 1 2 298.213 3.780 20 30 CHEDLO C=CCN(c1[nH+]ccc2c3c([nH]c21)CCC3)C(C)(C)C ZINC001157585390 1130374021 /nfs/dbraw/zinc/37/40/21/1130374021.db2.gz FIKZZHCJFLVFGW-UHFFFAOYSA-N 1 2 269.392 3.843 20 30 CHEDLO Cc1cccc2c(C)cc(NCCCCC#N)[nH+]c12 ZINC001157637875 1130419602 /nfs/dbraw/zinc/41/96/02/1130419602.db2.gz HRCGBIIMWYZFNK-UHFFFAOYSA-N 1 2 253.349 3.957 20 30 CHEDLO N#CCCCCNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001157638236 1130420061 /nfs/dbraw/zinc/42/00/61/1130420061.db2.gz YKXCCDCAUBLPSJ-UHFFFAOYSA-N 1 2 286.766 3.903 20 30 CHEDLO COc1ccc2cc(NCC#Cc3ccccc3)[nH+]cc2c1 ZINC001170426117 1130521171 /nfs/dbraw/zinc/52/11/71/1130521171.db2.gz KPFRPYRDHQNDQL-UHFFFAOYSA-N 1 2 288.350 3.707 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N)cc1C ZINC000758097616 1130597178 /nfs/dbraw/zinc/59/71/78/1130597178.db2.gz DYTXHKIYDSEAHS-UHFFFAOYSA-N 1 2 257.312 3.552 20 30 CHEDLO C=CCCCCCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000811624951 1130624734 /nfs/dbraw/zinc/62/47/34/1130624734.db2.gz XRPZJJZBNQALHX-LDADJPATSA-N 1 2 290.407 3.533 20 30 CHEDLO CC(N=Nc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812459312 1130692969 /nfs/dbraw/zinc/69/29/69/1130692969.db2.gz XEKZYIIKVKFGTQ-UHFFFAOYSA-N 1 2 294.333 3.848 20 30 CHEDLO C#C[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccc(F)cc1 ZINC000812486012 1130697083 /nfs/dbraw/zinc/69/70/83/1130697083.db2.gz BVHJEXNFOVBJFU-HNNXBMFYSA-N 1 2 281.334 3.588 20 30 CHEDLO Cc1ccnc(C[N@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC001235591499 1130757076 /nfs/dbraw/zinc/75/70/76/1130757076.db2.gz JGRUAZFLHIOTTQ-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccnc(C[N@@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC001235591499 1130757083 /nfs/dbraw/zinc/75/70/83/1130757083.db2.gz JGRUAZFLHIOTTQ-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO C[C@H]1C[N@H+](Cc2c(F)cc(C#N)cc2F)Cc2ccccc21 ZINC001235651271 1130761800 /nfs/dbraw/zinc/76/18/00/1130761800.db2.gz LINLTJDBNJFBAP-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2c(F)cc(C#N)cc2F)Cc2ccccc21 ZINC001235651271 1130761806 /nfs/dbraw/zinc/76/18/06/1130761806.db2.gz LINLTJDBNJFBAP-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C#CC1CC[NH+](Cc2c(F)cc(Cl)cc2Cl)CC1 ZINC001235751971 1130777582 /nfs/dbraw/zinc/77/75/82/1130777582.db2.gz ZAQOTRMZHVNHCY-UHFFFAOYSA-N 1 2 286.177 3.978 20 30 CHEDLO N#Cc1ccc(CNc2cc3ccccc3c[nH+]2)cc1F ZINC001159082962 1130843154 /nfs/dbraw/zinc/84/31/54/1130843154.db2.gz VQKCPRZPGXKRCE-UHFFFAOYSA-N 1 2 277.302 3.858 20 30 CHEDLO Cc1ccoc1C(=O)/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783709952 1130851132 /nfs/dbraw/zinc/85/11/32/1130851132.db2.gz XQCNDRACEHMYGW-NSCUHMNNSA-N 1 2 284.340 3.731 20 30 CHEDLO Cc1cccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783771862 1130854883 /nfs/dbraw/zinc/85/48/83/1130854883.db2.gz HJEUHYZASZVDLE-UHFFFAOYSA-N 1 2 282.372 3.688 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)cc1)c1cc(N)ccc1F ZINC000814683945 1130895292 /nfs/dbraw/zinc/89/52/92/1130895292.db2.gz XCUWUISGZGOLHP-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO CC(=[NH+]Nc1cccc(C)c1)c1cc(N)ccc1F ZINC000814687735 1130899428 /nfs/dbraw/zinc/89/94/28/1130899428.db2.gz TUHHXUXMSZUQCD-UHFFFAOYSA-N 1 2 257.312 3.552 20 30 CHEDLO N#CCOc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001212608057 1130909730 /nfs/dbraw/zinc/90/97/30/1130909730.db2.gz NFBISNRIPZTJPC-UHFFFAOYSA-N 1 2 290.326 3.518 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(Cl)c(N)c1 ZINC000814815461 1130915724 /nfs/dbraw/zinc/91/57/24/1130915724.db2.gz YPNFCSKKRQNJPS-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO CC(=[NH+]Nc1cccc2ncccc21)c1cc(N)ccc1F ZINC000814804435 1130918430 /nfs/dbraw/zinc/91/84/30/1130918430.db2.gz OXJGTARAKILKTK-UHFFFAOYSA-N 1 2 294.333 3.792 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(C)cc(Cl)nc2Cl)C1 ZINC001236603846 1130982693 /nfs/dbraw/zinc/98/26/93/1130982693.db2.gz DEDJBYPMVUEYCN-NSHDSACASA-N 1 2 283.202 3.542 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(C)cc(Cl)nc2Cl)C1 ZINC001236603846 1130982694 /nfs/dbraw/zinc/98/26/94/1130982694.db2.gz DEDJBYPMVUEYCN-NSHDSACASA-N 1 2 283.202 3.542 20 30 CHEDLO Cc1cc(C#N)cc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001202805954 1131000271 /nfs/dbraw/zinc/00/02/71/1131000271.db2.gz WGIPJKAGBJYDAA-UHFFFAOYSA-N 1 2 294.383 3.726 20 30 CHEDLO Oc1ccccc1/C=[NH+]/[C@H]1C[C@H](c2ccccc2)C1 ZINC000797785027 1131001446 /nfs/dbraw/zinc/00/14/46/1131001446.db2.gz RDMMWKXMPCUKCW-ZCXOWWACSA-N 1 2 251.329 3.757 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(F)c1C ZINC001237155013 1131060288 /nfs/dbraw/zinc/06/02/88/1131060288.db2.gz CQRBBBMILNINDD-UHFFFAOYSA-N 1 2 266.335 3.789 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1C ZINC001237155013 1131060291 /nfs/dbraw/zinc/06/02/91/1131060291.db2.gz CQRBBBMILNINDD-UHFFFAOYSA-N 1 2 266.335 3.789 20 30 CHEDLO CCc1cccc(C)c1NN=Cc1cccc2[nH+]ccn21 ZINC000799492784 1131089430 /nfs/dbraw/zinc/08/94/30/1131089430.db2.gz SWQRQUQZQGDJOM-UHFFFAOYSA-N 1 2 278.359 3.651 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCc2ccc3[nH]ccc3c2)c1 ZINC000799742700 1131108082 /nfs/dbraw/zinc/10/80/82/1131108082.db2.gz GKESRLJWHKPXRA-UNOMPAQXSA-N 1 2 294.354 3.544 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC001237751635 1131138258 /nfs/dbraw/zinc/13/82/58/1131138258.db2.gz OBQOKDKJWRTPLP-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCc3ccsc3C2)c1 ZINC001237751635 1131138261 /nfs/dbraw/zinc/13/82/61/1131138261.db2.gz OBQOKDKJWRTPLP-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO COc1cc(C)cc(F)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001238585482 1131217507 /nfs/dbraw/zinc/21/75/07/1131217507.db2.gz NKNIZDYYRSXHLD-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1cc(C)cc(F)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001238585482 1131217512 /nfs/dbraw/zinc/21/75/12/1131217512.db2.gz NKNIZDYYRSXHLD-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO N#CC1CC[NH+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238659619 1131227277 /nfs/dbraw/zinc/22/72/77/1131227277.db2.gz VBVWJXAIIUXKSI-UHFFFAOYSA-N 1 2 295.361 3.623 20 30 CHEDLO CC(C)c1cnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000823617710 1131434324 /nfs/dbraw/zinc/43/43/24/1131434324.db2.gz LFVUUKYCDACPHI-ZDUSSCGKSA-N 1 2 283.375 3.863 20 30 CHEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000823617710 1131434328 /nfs/dbraw/zinc/43/43/28/1131434328.db2.gz LFVUUKYCDACPHI-ZDUSSCGKSA-N 1 2 283.375 3.863 20 30 CHEDLO C#CC[N@@H+](C)Cc1c(F)c(Cl)ccc1C(F)(F)F ZINC001137984043 1131446551 /nfs/dbraw/zinc/44/65/51/1131446551.db2.gz BPDODOHDIWGOAR-UHFFFAOYSA-N 1 2 279.664 3.563 20 30 CHEDLO C#CC[N@H+](C)Cc1c(F)c(Cl)ccc1C(F)(F)F ZINC001137984043 1131446552 /nfs/dbraw/zinc/44/65/52/1131446552.db2.gz BPDODOHDIWGOAR-UHFFFAOYSA-N 1 2 279.664 3.563 20 30 CHEDLO N#CC1CC[NH+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136856495 1131463830 /nfs/dbraw/zinc/46/38/30/1131463830.db2.gz KBQUTUNPWRPNSS-UHFFFAOYSA-N 1 2 273.767 3.557 20 30 CHEDLO N#C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089190 1131511342 /nfs/dbraw/zinc/51/13/42/1131511342.db2.gz YUSVYHVXIFEEOE-ZWNOBZJWSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089190 1131511346 /nfs/dbraw/zinc/51/13/46/1131511346.db2.gz YUSVYHVXIFEEOE-ZWNOBZJWSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089182 1131511420 /nfs/dbraw/zinc/51/14/20/1131511420.db2.gz YUSVYHVXIFEEOE-GWCFXTLKSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089182 1131511424 /nfs/dbraw/zinc/51/14/24/1131511424.db2.gz YUSVYHVXIFEEOE-GWCFXTLKSA-N 1 2 295.213 3.696 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138478111 1131511799 /nfs/dbraw/zinc/51/17/99/1131511799.db2.gz UFKHHOBSSFXJPL-UHFFFAOYSA-N 1 2 287.190 3.738 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138478111 1131511801 /nfs/dbraw/zinc/51/18/01/1131511801.db2.gz UFKHHOBSSFXJPL-UHFFFAOYSA-N 1 2 287.190 3.738 20 30 CHEDLO COc1c(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001143847644 1131537205 /nfs/dbraw/zinc/53/72/05/1131537205.db2.gz UPTBXMVSRIAACY-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001143847644 1131537208 /nfs/dbraw/zinc/53/72/08/1131537208.db2.gz UPTBXMVSRIAACY-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(OCC)c(F)c1 ZINC001144026243 1131573124 /nfs/dbraw/zinc/57/31/24/1131573124.db2.gz NIAPCQPHBHCZPL-UHFFFAOYSA-N 1 2 296.361 3.879 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(OCC)c(F)c1 ZINC001144026243 1131573127 /nfs/dbraw/zinc/57/31/27/1131573127.db2.gz NIAPCQPHBHCZPL-UHFFFAOYSA-N 1 2 296.361 3.879 20 30 CHEDLO Fc1cc(F)c(C[NH+]2CCC(S)CC2)cc1Cl ZINC001144131341 1131590717 /nfs/dbraw/zinc/59/07/17/1131590717.db2.gz YGVSWVYSHCVPHE-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO COc1ccc(-c2ccc(C[N@H+](C)CCC#N)s2)cc1 ZINC001139284661 1131600494 /nfs/dbraw/zinc/60/04/94/1131600494.db2.gz VTJYBGSGTOSYBY-UHFFFAOYSA-N 1 2 286.400 3.769 20 30 CHEDLO COc1ccc(-c2ccc(C[N@@H+](C)CCC#N)s2)cc1 ZINC001139284661 1131600496 /nfs/dbraw/zinc/60/04/96/1131600496.db2.gz VTJYBGSGTOSYBY-UHFFFAOYSA-N 1 2 286.400 3.769 20 30 CHEDLO N#Cc1cccc2c(C[N@@H+]3Cc4cccc(F)c4C3)c[nH]c21 ZINC001139703164 1131629861 /nfs/dbraw/zinc/62/98/61/1131629861.db2.gz KRZFHOWSWHGSID-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#Cc1cccc2c(C[N@H+]3Cc4cccc(F)c4C3)c[nH]c21 ZINC001139703164 1131629864 /nfs/dbraw/zinc/62/98/64/1131629864.db2.gz KRZFHOWSWHGSID-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834882475 1131716710 /nfs/dbraw/zinc/71/67/10/1131716710.db2.gz AXIRRYDOKVWHKL-VIFPVBQESA-N 1 2 255.308 3.533 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(F)c(Cl)cc1F ZINC001140701576 1131881479 /nfs/dbraw/zinc/88/14/79/1131881479.db2.gz RSJBWWCLYHDOHX-UHFFFAOYSA-N 1 2 257.711 3.792 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1cccc(C#N)c1Cl ZINC001140809660 1131932503 /nfs/dbraw/zinc/93/25/03/1131932503.db2.gz BCLLMFMRUHFSFU-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1cccc(C#N)c1Cl ZINC001140809660 1131932507 /nfs/dbraw/zinc/93/25/07/1131932507.db2.gz BCLLMFMRUHFSFU-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC001141166699 1132035312 /nfs/dbraw/zinc/03/53/12/1132035312.db2.gz GPIFVQYIXXUBMZ-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC001141166699 1132035322 /nfs/dbraw/zinc/03/53/22/1132035322.db2.gz GPIFVQYIXXUBMZ-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO CC(C)c1ocnc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001171568022 1132058774 /nfs/dbraw/zinc/05/87/74/1132058774.db2.gz SMRAMDHNNXFHEX-UHFFFAOYSA-N 1 2 295.386 3.839 20 30 CHEDLO N#C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC001229955221 1132137406 /nfs/dbraw/zinc/13/74/06/1132137406.db2.gz YWGZUHXGLQKWPU-QGZVFWFLSA-N 1 2 293.301 3.655 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300586 1132152610 /nfs/dbraw/zinc/15/26/10/1132152610.db2.gz XIAWZNXZKCNPPR-CYBMUJFWSA-N 1 2 268.335 3.776 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172336730 1132174617 /nfs/dbraw/zinc/17/46/17/1132174617.db2.gz NWPISBCTQAXCFH-CHWSQXEVSA-N 1 2 253.361 3.867 20 30 CHEDLO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@H]([C@@H](C)CC)C1 ZINC000839528826 1132222227 /nfs/dbraw/zinc/22/22/27/1132222227.db2.gz RKDRHUNBRDLKBG-FZMZJTMJSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@H]([C@@H](C)CC)C1 ZINC000839528826 1132222231 /nfs/dbraw/zinc/22/22/31/1132222231.db2.gz RKDRHUNBRDLKBG-FZMZJTMJSA-N 1 2 291.266 3.524 20 30 CHEDLO C=C[C@@H](CCC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083710 1132253834 /nfs/dbraw/zinc/25/38/34/1132253834.db2.gz NWCTVBMUXFGGON-AWEZNQCLSA-N 1 2 256.349 3.821 20 30 CHEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550349 1132264271 /nfs/dbraw/zinc/26/42/71/1132264271.db2.gz FRZIPOPCHSROIW-ZACQAIPSSA-N 1 2 256.393 3.851 20 30 CHEDLO CC1(C)CC([NH2+]C2(C#N)CCCCCC2)CC(C)(C)O1 ZINC001172649410 1132287558 /nfs/dbraw/zinc/28/75/58/1132287558.db2.gz KXEBHZAZFZMVKO-UHFFFAOYSA-N 1 2 278.440 3.929 20 30 CHEDLO CC1(C)CC([NH2+]C2(C#N)CCCCC2)CC(C)(C)O1 ZINC001172649820 1132287884 /nfs/dbraw/zinc/28/78/84/1132287884.db2.gz UTZHDGOXEZBFNX-UHFFFAOYSA-N 1 2 264.413 3.539 20 30 CHEDLO CC[C@H](C#N)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172820912 1132318878 /nfs/dbraw/zinc/31/88/78/1132318878.db2.gz NBORINDEBBARSE-AQFXKWCLSA-N 1 2 256.393 3.680 20 30 CHEDLO C=CCOc1cccc(C[N@H+]2Cc3ccc(F)cc3C2)c1 ZINC001231625642 1132328023 /nfs/dbraw/zinc/32/80/23/1132328023.db2.gz YLVWUCWPPZVIJU-UHFFFAOYSA-N 1 2 283.346 3.906 20 30 CHEDLO C=CCOc1cccc(C[N@@H+]2Cc3ccc(F)cc3C2)c1 ZINC001231625642 1132328029 /nfs/dbraw/zinc/32/80/29/1132328029.db2.gz YLVWUCWPPZVIJU-UHFFFAOYSA-N 1 2 283.346 3.906 20 30 CHEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172872571 1132352083 /nfs/dbraw/zinc/35/20/83/1132352083.db2.gz NJMUNSJTDQMUSJ-NHYWBVRUSA-N 1 2 280.774 3.646 20 30 CHEDLO CC[C@](C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173200109 1132409030 /nfs/dbraw/zinc/40/90/30/1132409030.db2.gz LJQIETBLAJAQSF-BDVYOWHSSA-N 1 2 272.392 3.658 20 30 CHEDLO Fc1cc(F)c(C[NH+]2CCC(S)CC2)c(Cl)c1 ZINC001232101162 1132424519 /nfs/dbraw/zinc/42/45/19/1132424519.db2.gz FDJHKTMVYYJEHS-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO N#Cc1ccc2c(C[N@H+]3CCCCC(F)(F)C3)c[nH]c2c1 ZINC001142911778 1132476617 /nfs/dbraw/zinc/47/66/17/1132476617.db2.gz JGRNQMLQTNJYQY-UHFFFAOYSA-N 1 2 289.329 3.661 20 30 CHEDLO N#Cc1ccc2c(C[N@@H+]3CCCCC(F)(F)C3)c[nH]c2c1 ZINC001142911778 1132476621 /nfs/dbraw/zinc/47/66/21/1132476621.db2.gz JGRNQMLQTNJYQY-UHFFFAOYSA-N 1 2 289.329 3.661 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2O)cc1C ZINC001232677735 1132505172 /nfs/dbraw/zinc/50/51/72/1132505172.db2.gz IPVASTFOIHGYQI-UHFFFAOYSA-N 1 2 280.371 3.513 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2O)cc1C ZINC001232677735 1132505180 /nfs/dbraw/zinc/50/51/80/1132505180.db2.gz IPVASTFOIHGYQI-UHFFFAOYSA-N 1 2 280.371 3.513 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001232674059 1132506293 /nfs/dbraw/zinc/50/62/93/1132506293.db2.gz RFRUVRSMDOESBJ-SFHVURJKSA-N 1 2 292.382 3.991 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001232674059 1132506298 /nfs/dbraw/zinc/50/62/98/1132506298.db2.gz RFRUVRSMDOESBJ-SFHVURJKSA-N 1 2 292.382 3.991 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001232679014 1132506546 /nfs/dbraw/zinc/50/65/46/1132506546.db2.gz YJIIQGCVQQBKSU-QGZVFWFLSA-N 1 2 278.355 3.601 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001232679014 1132506549 /nfs/dbraw/zinc/50/65/49/1132506549.db2.gz YJIIQGCVQQBKSU-QGZVFWFLSA-N 1 2 278.355 3.601 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232735640 1132512315 /nfs/dbraw/zinc/51/23/15/1132512315.db2.gz ZRLFFMGKYYHKKA-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232735640 1132512322 /nfs/dbraw/zinc/51/23/22/1132512322.db2.gz ZRLFFMGKYYHKKA-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO CC[N@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1F ZINC001232846189 1132527824 /nfs/dbraw/zinc/52/78/24/1132527824.db2.gz BLRSZYGPGUAHMC-UHFFFAOYSA-N 1 2 292.354 3.920 20 30 CHEDLO CC[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1F ZINC001232846189 1132527830 /nfs/dbraw/zinc/52/78/30/1132527830.db2.gz BLRSZYGPGUAHMC-UHFFFAOYSA-N 1 2 292.354 3.920 20 30 CHEDLO CCCCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001151102625 1132565907 /nfs/dbraw/zinc/56/59/07/1132565907.db2.gz BXIKOKZUEYOJNG-UHFFFAOYSA-N 1 2 299.418 3.963 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233210741 1132580101 /nfs/dbraw/zinc/58/01/01/1132580101.db2.gz FQMZLTVKEPOTOZ-HNNXBMFYSA-N 1 2 296.345 3.963 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001233210741 1132580104 /nfs/dbraw/zinc/58/01/04/1132580104.db2.gz FQMZLTVKEPOTOZ-HNNXBMFYSA-N 1 2 296.345 3.963 20 30 CHEDLO C#CCCCNc1[nH+]cnc2[nH]c3ccc(Cl)cc3c21 ZINC001155018058 1132637138 /nfs/dbraw/zinc/63/71/38/1132637138.db2.gz ODIHCKOFIOCILY-UHFFFAOYSA-N 1 2 284.750 3.590 20 30 CHEDLO CN(Cc1ccc2ccccc2c1)c1cc(CC#N)cc[nH+]1 ZINC001156872381 1132712076 /nfs/dbraw/zinc/71/20/76/1132712076.db2.gz YBAJDMYXAOYJIN-UHFFFAOYSA-N 1 2 287.366 3.937 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(C)cc2C#N)c(C)[nH+]1 ZINC001203380797 1132787255 /nfs/dbraw/zinc/78/72/55/1132787255.db2.gz NTHGXGUQMVUZEP-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC001174402570 1132815370 /nfs/dbraw/zinc/81/53/70/1132815370.db2.gz NHLVIJHAXBPWOO-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO C(#Cc1ccccc1)CNc1cc2ccccc2c[nH+]1 ZINC001159370477 1132834101 /nfs/dbraw/zinc/83/41/01/1132834101.db2.gz ALYIANROWONANV-UHFFFAOYSA-N 1 2 258.324 3.698 20 30 CHEDLO N#Cc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1Cl ZINC001174411053 1132849785 /nfs/dbraw/zinc/84/97/85/1132849785.db2.gz GLLISGKURWUCEA-UHFFFAOYSA-N 1 2 268.707 3.783 20 30 CHEDLO N#Cc1nc2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2s1 ZINC001174411845 1132850822 /nfs/dbraw/zinc/85/08/22/1132850822.db2.gz JJLVFBDEJYHAHD-UHFFFAOYSA-N 1 2 291.339 3.739 20 30 CHEDLO N#Cc1cc(Cl)cc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174413078 1132851459 /nfs/dbraw/zinc/85/14/59/1132851459.db2.gz IMGPHZZYZKGXKB-UHFFFAOYSA-N 1 2 268.707 3.783 20 30 CHEDLO Cc1cc(C#N)c(Nc2cccc3[nH+]c[nH]c32)s1 ZINC001213027124 1132986351 /nfs/dbraw/zinc/98/63/51/1132986351.db2.gz KLCQZUGPOLNKJU-UHFFFAOYSA-N 1 2 254.318 3.548 20 30 CHEDLO CCN(Cc1ccncc1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001163608348 1133162526 /nfs/dbraw/zinc/16/25/26/1133162526.db2.gz YQJJGDTWRFMEEH-UHFFFAOYSA-N 1 2 288.354 3.528 20 30 CHEDLO N#Cc1ccc2c(c1)CCN(c1cc3ccccc3c[nH+]1)C2 ZINC001164477824 1133221921 /nfs/dbraw/zinc/22/19/21/1133221921.db2.gz RFAZQRWQFICNAN-UHFFFAOYSA-N 1 2 285.350 3.669 20 30 CHEDLO C#C[C@H]1CCCN(c2cc(C3CCCCC3)[nH+]c(C)n2)C1 ZINC001167008514 1133298302 /nfs/dbraw/zinc/29/83/02/1133298302.db2.gz ZOXMVTOHYYXJKL-HNNXBMFYSA-N 1 2 283.419 3.682 20 30 CHEDLO CNc1ccc(Nc2c(C#N)cccc2C(F)(F)F)c[nH+]1 ZINC001203457979 1133329652 /nfs/dbraw/zinc/32/96/52/1133329652.db2.gz FTXPXNPHAFJAPS-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO Cc1noc(Nc2ccc([NH+]3CCCCC3)cc2)c1C#N ZINC001203713129 1133357412 /nfs/dbraw/zinc/35/74/12/1133357412.db2.gz VDDQSMDENOGXEY-UHFFFAOYSA-N 1 2 282.347 3.589 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(F)cc1C(F)(F)F ZINC001204482557 1133452372 /nfs/dbraw/zinc/45/23/72/1133452372.db2.gz ZZBIDJATSYVJAC-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)cc1C(F)(F)F ZINC001204482557 1133452374 /nfs/dbraw/zinc/45/23/74/1133452374.db2.gz ZZBIDJATSYVJAC-UHFFFAOYSA-N 1 2 288.288 3.970 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(O)cc(Cl)c1)c1ccc(F)cc1 ZINC001205980554 1133638371 /nfs/dbraw/zinc/63/83/71/1133638371.db2.gz OUJNULNTKYEWKU-INIZCTEOSA-N 1 2 289.737 3.649 20 30 CHEDLO Cc1nc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cs1 ZINC001206798312 1133749620 /nfs/dbraw/zinc/74/96/20/1133749620.db2.gz FUEXGZQSPCLMRV-UHFFFAOYSA-N 1 2 297.427 3.509 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@H](c3ccccn3)C2)CC1 ZINC001208178999 1133897912 /nfs/dbraw/zinc/89/79/12/1133897912.db2.gz ZBPPJBNOPQFSRD-MJGOQNOKSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCO[C@H](c3ccccn3)C2)CC1 ZINC001208178999 1133897917 /nfs/dbraw/zinc/89/79/17/1133897917.db2.gz ZBPPJBNOPQFSRD-MJGOQNOKSA-N 1 2 298.430 3.758 20 30 CHEDLO CCCCOc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001208638735 1133920708 /nfs/dbraw/zinc/92/07/08/1133920708.db2.gz OUHVCVOLTGSNRF-UHFFFAOYSA-N 1 2 299.374 3.505 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(Cl)cc1C ZINC001209636946 1134044827 /nfs/dbraw/zinc/04/48/27/1134044827.db2.gz MCWPSCVIIQPVNN-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(Cl)cc1C ZINC001209636946 1134044835 /nfs/dbraw/zinc/04/48/35/1134044835.db2.gz MCWPSCVIIQPVNN-UHFFFAOYSA-N 1 2 265.788 3.559 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3ccc(C#N)nc3)ccc12 ZINC001209647034 1134045710 /nfs/dbraw/zinc/04/57/10/1134045710.db2.gz QOGRQRYHWGXCCQ-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1ccc(Nc2ccc([NH+](C)C)c(C)c2)cc1C#N ZINC001210043242 1134132092 /nfs/dbraw/zinc/13/20/92/1134132092.db2.gz KXBHSZSGARBJLX-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO Cc1cc(Nc2ccccc2C#N)ccc1[NH+](C)C ZINC001210041771 1134132313 /nfs/dbraw/zinc/13/23/13/1134132313.db2.gz SELGPHJNOIJQQZ-UHFFFAOYSA-N 1 2 251.333 3.676 20 30 CHEDLO Cc1ccnc(C#N)c1Nc1cccc2cc[nH+]cc21 ZINC001210225576 1134172678 /nfs/dbraw/zinc/17/26/78/1134172678.db2.gz JVAISEAUEOYVHX-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1[nH+]cc(Nc2oc(-c3ccccc3)cc2C#N)cc1N ZINC001210286775 1134185212 /nfs/dbraw/zinc/18/52/12/1134185212.db2.gz BNMPWQCUTVXHCY-UHFFFAOYSA-N 1 2 290.326 3.848 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001210376169 1134203515 /nfs/dbraw/zinc/20/35/15/1134203515.db2.gz OVMWLQPVHMAGHN-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001210389711 1134206519 /nfs/dbraw/zinc/20/65/19/1134206519.db2.gz RFMLQJFEPAEYLC-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001210500999 1134231641 /nfs/dbraw/zinc/23/16/41/1134231641.db2.gz SADVUDONCVOQRZ-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO CC#Cc1cncc(Nc2ccc([N@@H+](C)CC)cc2)c1 ZINC001211063714 1134360808 /nfs/dbraw/zinc/36/08/08/1134360808.db2.gz ZUKOCXUYJVARFH-UHFFFAOYSA-N 1 2 265.360 3.653 20 30 CHEDLO CC#Cc1cncc(Nc2ccc([N@H+](C)CC)cc2)c1 ZINC001211063714 1134360814 /nfs/dbraw/zinc/36/08/14/1134360814.db2.gz ZUKOCXUYJVARFH-UHFFFAOYSA-N 1 2 265.360 3.653 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3ccc(N)c(C#N)c3)ccc12 ZINC001213441500 1134448557 /nfs/dbraw/zinc/44/85/57/1134448557.db2.gz XSCIYSOXIBZTKX-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)cc(F)c2C#N)c1C ZINC001213536214 1134463015 /nfs/dbraw/zinc/46/30/15/1134463015.db2.gz BUCSOTPTOLZVDK-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1nsc(Nc2cc(C3CC3)c[nH+]c2C)c1C#N ZINC001213488994 1134453051 /nfs/dbraw/zinc/45/30/51/1134453051.db2.gz JLNWMKGGWROUSV-UHFFFAOYSA-N 1 2 270.361 3.648 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1nc(Cl)ccc1C#N ZINC001213495164 1134454197 /nfs/dbraw/zinc/45/41/97/1134454197.db2.gz TYLYXSOQTLIYFL-UHFFFAOYSA-N 1 2 284.750 3.931 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(O)cc1C#N ZINC001213501259 1134456564 /nfs/dbraw/zinc/45/65/64/1134456564.db2.gz PHVGZAPEWXKXKS-UHFFFAOYSA-N 1 2 265.316 3.588 20 30 CHEDLO Cc1cc(C)c(Nc2nc(C(F)(F)F)ccc2C#N)c[nH+]1 ZINC001213507715 1134458092 /nfs/dbraw/zinc/45/80/92/1134458092.db2.gz CNETYXHESFOEON-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO Cc1cc(C)c(Nc2cc(Cl)ccc2C#N)c[nH+]1 ZINC001213518279 1134458726 /nfs/dbraw/zinc/45/87/26/1134458726.db2.gz FNXATKBLPLCSJU-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]cc(Nc2nc(Cl)cc(C)c2C#N)c1C ZINC001213528594 1134460495 /nfs/dbraw/zinc/46/04/95/1134460495.db2.gz HOUMMTMBHDXTRB-UHFFFAOYSA-N 1 2 272.739 3.671 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1cccn2cc[nH+]c12 ZINC001215645438 1134654985 /nfs/dbraw/zinc/65/49/85/1134654985.db2.gz NMSZRCJWMLUFEE-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1c(C)cc(C#N)cc1C ZINC001215645695 1134655408 /nfs/dbraw/zinc/65/54/08/1134655408.db2.gz TYOUMSBRGNMZBM-UHFFFAOYSA-N 1 2 267.332 3.712 20 30 CHEDLO Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1C#N ZINC001216073572 1134765923 /nfs/dbraw/zinc/76/59/23/1134765923.db2.gz GXLZFDUTQAJBNU-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO C[Si](C)(C)C#C[C@@H](Oc1ccc[nH+]c1N)c1ccccc1 ZINC001218216233 1135070249 /nfs/dbraw/zinc/07/02/49/1135070249.db2.gz XGZJQQRTHKECEG-OAHLLOKOSA-N 1 2 296.446 3.665 20 30 CHEDLO CSc1cc(Br)ccc1C[NH2+][C@@H](C)CC#N ZINC000309890100 1135119155 /nfs/dbraw/zinc/11/91/55/1135119155.db2.gz CBZLDTAAPLPGGM-VIFPVBQESA-N 1 2 299.237 3.563 20 30 CHEDLO C=C[C@]1(C)CC[C@@H](Oc2c(C)cc[nH+]c2C)C(C)(C)O1 ZINC001227265674 1135813322 /nfs/dbraw/zinc/81/33/22/1135813322.db2.gz VTQNDTZSYMZWTR-RHSMWYFYSA-N 1 2 275.392 3.980 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000356115531 533150949 /nfs/dbraw/zinc/15/09/49/533150949.db2.gz SSQCGVQBVPQXRI-JTQLQIEISA-N 1 2 298.308 3.535 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000356115531 533150954 /nfs/dbraw/zinc/15/09/54/533150954.db2.gz SSQCGVQBVPQXRI-JTQLQIEISA-N 1 2 298.308 3.535 20 30 CHEDLO Cc1cccn2c(CNc3ccc(Cl)c(C#N)c3)c[nH+]c12 ZINC000191836824 227192750 /nfs/dbraw/zinc/19/27/50/227192750.db2.gz OBMYLQSCRKXOGD-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1cccc(C#N)c1 ZINC000354887917 227205998 /nfs/dbraw/zinc/20/59/98/227205998.db2.gz XEWDSMKKZMMGNA-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1cccc(C#N)c1 ZINC000354887917 227206003 /nfs/dbraw/zinc/20/60/03/227206003.db2.gz XEWDSMKKZMMGNA-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1ccc([C@H](C)[N@H+](C)Cc2nc(C#N)cs2)c(C)c1 ZINC000356069922 228109045 /nfs/dbraw/zinc/10/90/45/228109045.db2.gz XCFALHRDXIYOCP-ZDUSSCGKSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(C#N)cs2)c(C)c1 ZINC000356069922 228109046 /nfs/dbraw/zinc/10/90/46/228109046.db2.gz XCFALHRDXIYOCP-ZDUSSCGKSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2nc(C#N)cs2)c(C)c1 ZINC000356069921 228109110 /nfs/dbraw/zinc/10/91/10/228109110.db2.gz XCFALHRDXIYOCP-CYBMUJFWSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nc(C#N)cs2)c(C)c1 ZINC000356069921 228109112 /nfs/dbraw/zinc/10/91/12/228109112.db2.gz XCFALHRDXIYOCP-CYBMUJFWSA-N 1 2 285.416 3.825 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131158 228193609 /nfs/dbraw/zinc/19/36/09/228193609.db2.gz LHUSZOMNPGNMAH-IUODEOHRSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131158 228193610 /nfs/dbraw/zinc/19/36/10/228193610.db2.gz LHUSZOMNPGNMAH-IUODEOHRSA-N 1 2 299.805 3.803 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C)on1)c1ccc(F)c(F)c1 ZINC000187756388 260054890 /nfs/dbraw/zinc/05/48/90/260054890.db2.gz YGKGHCQKVYHZPY-OAHLLOKOSA-N 1 2 278.302 3.668 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000297937502 260138185 /nfs/dbraw/zinc/13/81/85/260138185.db2.gz RQVZGLBTENMLLZ-AWEZNQCLSA-N 1 2 283.375 3.780 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nnc(C)s1 ZINC000298148926 260144932 /nfs/dbraw/zinc/14/49/32/260144932.db2.gz OVHRDLXKMMLCRO-CYBMUJFWSA-N 1 2 287.432 3.638 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nnc(C)s1 ZINC000298148926 260144934 /nfs/dbraw/zinc/14/49/34/260144934.db2.gz OVHRDLXKMMLCRO-CYBMUJFWSA-N 1 2 287.432 3.638 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000093101028 260256606 /nfs/dbraw/zinc/25/66/06/260256606.db2.gz YUYMQFAOTGGTGR-UHFFFAOYSA-N 1 2 290.455 3.859 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000093101028 260256608 /nfs/dbraw/zinc/25/66/08/260256608.db2.gz YUYMQFAOTGGTGR-UHFFFAOYSA-N 1 2 290.455 3.859 20 30 CHEDLO COCCOc1cc(C)ccc1[NH2+]CC(C)(C)CCC#N ZINC000092119103 260267371 /nfs/dbraw/zinc/26/73/71/260267371.db2.gz YEOAFPSGDOGAIP-UHFFFAOYSA-N 1 2 290.407 3.762 20 30 CHEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000154233948 261089148 /nfs/dbraw/zinc/08/91/48/261089148.db2.gz VQHJXYNTPSJJGW-KLHWEVKASA-N 1 2 281.355 3.731 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccccn1 ZINC000104944015 261305355 /nfs/dbraw/zinc/30/53/55/261305355.db2.gz LBACPNZCMNMUOD-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccccn1 ZINC000104944015 261305357 /nfs/dbraw/zinc/30/53/57/261305357.db2.gz LBACPNZCMNMUOD-UHFFFAOYSA-N 1 2 278.808 3.985 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000184089503 262008529 /nfs/dbraw/zinc/00/85/29/262008529.db2.gz RUYNNQGIOXQINV-NSHDSACASA-N 1 2 287.190 3.784 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CCCC3)c(F)c2)C1 ZINC000185728166 262068868 /nfs/dbraw/zinc/06/88/68/262068868.db2.gz YGMNZBQCKMSJQQ-KGLIPLIRSA-N 1 2 287.382 3.920 20 30 CHEDLO CC(C)c1cccc2c1CC[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC000191892467 262196426 /nfs/dbraw/zinc/19/64/26/262196426.db2.gz VMQPWBJEZHXPEW-OAHLLOKOSA-N 1 2 281.403 3.612 20 30 CHEDLO CC(C)c1cccc2c1CC[N@@H+](C[C@@H](C#N)CCC#N)C2 ZINC000191892467 262196427 /nfs/dbraw/zinc/19/64/27/262196427.db2.gz VMQPWBJEZHXPEW-OAHLLOKOSA-N 1 2 281.403 3.612 20 30 CHEDLO COc1ccc([NH2+]CCCC2(C#N)CCOCC2)c(C)c1 ZINC000281372110 263068374 /nfs/dbraw/zinc/06/83/74/263068374.db2.gz YKZPPERDKIRXPI-UHFFFAOYSA-N 1 2 288.391 3.516 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc(C(C)(C)C)nc1 ZINC000284260963 263086299 /nfs/dbraw/zinc/08/62/99/263086299.db2.gz GJQAYSUXBJMMRA-UHFFFAOYSA-N 1 2 288.439 3.536 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc(C(C)(C)C)nc1 ZINC000284260963 263086300 /nfs/dbraw/zinc/08/63/00/263086300.db2.gz GJQAYSUXBJMMRA-UHFFFAOYSA-N 1 2 288.439 3.536 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1noc(CCC)n1)c1ccccc1 ZINC000180040063 264394957 /nfs/dbraw/zinc/39/49/57/264394957.db2.gz TUQXFGPIWDPYJI-HNNXBMFYSA-N 1 2 285.391 3.819 20 30 CHEDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356406488 266108736 /nfs/dbraw/zinc/10/87/36/266108736.db2.gz MPEWVGMWSCNQKM-JYRVWZFOSA-N 1 2 283.400 3.550 20 30 CHEDLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356406488 266108741 /nfs/dbraw/zinc/10/87/41/266108741.db2.gz MPEWVGMWSCNQKM-JYRVWZFOSA-N 1 2 283.400 3.550 20 30 CHEDLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc(C#N)cs1 ZINC000356419959 266110974 /nfs/dbraw/zinc/11/09/74/266110974.db2.gz HMYNXMVDRRTFGX-UHFFFAOYSA-N 1 2 296.399 3.518 20 30 CHEDLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc(C#N)cs1 ZINC000356419959 266110975 /nfs/dbraw/zinc/11/09/75/266110975.db2.gz HMYNXMVDRRTFGX-UHFFFAOYSA-N 1 2 296.399 3.518 20 30 CHEDLO CC[N@@H+](CCC#N)CCOc1cc(Cl)ccc1Cl ZINC000357919938 266384655 /nfs/dbraw/zinc/38/46/55/266384655.db2.gz VADIRONTFKMQHT-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO CC[N@H+](CCC#N)CCOc1cc(Cl)ccc1Cl ZINC000357919938 266384657 /nfs/dbraw/zinc/38/46/57/266384657.db2.gz VADIRONTFKMQHT-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCC1 ZINC000418143028 267365120 /nfs/dbraw/zinc/36/51/20/267365120.db2.gz ODDNUYWQOJYGHR-UHFFFAOYSA-N 1 2 295.361 3.671 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CCC1 ZINC000418135491 267367695 /nfs/dbraw/zinc/36/76/95/267367695.db2.gz AQNJBOQEAZYRAE-UHFFFAOYSA-N 1 2 284.334 3.869 20 30 CHEDLO CCCCCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123499277 268055854 /nfs/dbraw/zinc/05/58/54/268055854.db2.gz VBALKXOCGFNOMO-JKSUJKDBSA-N 1 2 291.439 3.653 20 30 CHEDLO C=CCC[C@H](C)[NH2+][C@@H](c1noc(C)n1)c1ccccc1F ZINC000186315372 327687326 /nfs/dbraw/zinc/68/73/26/327687326.db2.gz YYWUITXJJJROMV-XHDPSFHLSA-N 1 2 289.354 3.551 20 30 CHEDLO C=CCC[C@H](C)[NH2+][C@H](c1noc(C)n1)c1ccccc1F ZINC000186315388 327687431 /nfs/dbraw/zinc/68/74/31/327687431.db2.gz YYWUITXJJJROMV-NHYWBVRUSA-N 1 2 289.354 3.551 20 30 CHEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccc(F)cc1 ZINC000275778682 328215971 /nfs/dbraw/zinc/21/59/71/328215971.db2.gz XENATUZOTWURPG-HNNXBMFYSA-N 1 2 297.377 3.740 20 30 CHEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccc(F)cc1 ZINC000275778682 328215973 /nfs/dbraw/zinc/21/59/73/328215973.db2.gz XENATUZOTWURPG-HNNXBMFYSA-N 1 2 297.377 3.740 20 30 CHEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000278613410 328228470 /nfs/dbraw/zinc/22/84/70/328228470.db2.gz FTLSWVMYBWTMFA-GDBMZVCRSA-N 1 2 269.392 3.781 20 30 CHEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000278613410 328228471 /nfs/dbraw/zinc/22/84/71/328228471.db2.gz FTLSWVMYBWTMFA-GDBMZVCRSA-N 1 2 269.392 3.781 20 30 CHEDLO CCCc1nc(C(=O)Nc2c(C)cc(C)[nH+]c2C)co1 ZINC000330402014 328461063 /nfs/dbraw/zinc/46/10/63/328461063.db2.gz FRYVUSUXNATZJW-UHFFFAOYSA-N 1 2 273.336 3.584 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1Cl ZINC000054182069 328485348 /nfs/dbraw/zinc/48/53/48/328485348.db2.gz BUZXWYLIBFSMDC-SNVBAGLBSA-N 1 2 257.164 3.775 20 30 CHEDLO C=CCCSCc1cn2cc(Br)ccc2[nH+]1 ZINC000563731596 328497545 /nfs/dbraw/zinc/49/75/45/328497545.db2.gz INBSNCMJUNXZCO-UHFFFAOYSA-N 1 2 297.221 3.906 20 30 CHEDLO C=CCCCCC[N@@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000410377428 327188563 /nfs/dbraw/zinc/18/85/63/327188563.db2.gz BGFUGOATCZKHDZ-AWEZNQCLSA-N 1 2 281.421 3.640 20 30 CHEDLO C=CCCCCC[N@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000410377428 327188565 /nfs/dbraw/zinc/18/85/65/327188565.db2.gz BGFUGOATCZKHDZ-AWEZNQCLSA-N 1 2 281.421 3.640 20 30 CHEDLO Cc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000560027538 327278434 /nfs/dbraw/zinc/27/84/34/327278434.db2.gz ZZHBZDIPTGDVKH-OALUTQOASA-N 1 2 298.430 3.731 20 30 CHEDLO Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000560027538 327278436 /nfs/dbraw/zinc/27/84/36/327278436.db2.gz ZZHBZDIPTGDVKH-OALUTQOASA-N 1 2 298.430 3.731 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000560574141 327326837 /nfs/dbraw/zinc/32/68/37/327326837.db2.gz NZLOUOIWPYRWFQ-LBPRGKRZSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000560574141 327326838 /nfs/dbraw/zinc/32/68/38/327326838.db2.gz NZLOUOIWPYRWFQ-LBPRGKRZSA-N 1 2 294.345 3.721 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)cc1Cl)CC(C)(C)C#N ZINC000561322473 327385550 /nfs/dbraw/zinc/38/55/50/327385550.db2.gz VCXZCLNIEBWNPF-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)cc1Cl)CC(C)(C)C#N ZINC000561322473 327385551 /nfs/dbraw/zinc/38/55/51/327385551.db2.gz VCXZCLNIEBWNPF-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO CC1(C#N)CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000336212027 328747421 /nfs/dbraw/zinc/74/74/21/328747421.db2.gz WXBXFRHXGBQIIQ-UHFFFAOYSA-N 1 2 280.375 3.757 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000218057957 329066879 /nfs/dbraw/zinc/06/68/79/329066879.db2.gz LGRGOSCMNPIAKT-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C=CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000175485452 329168932 /nfs/dbraw/zinc/16/89/32/329168932.db2.gz BNLHMQLIBYKPHB-UHFFFAOYSA-N 1 2 289.766 3.821 20 30 CHEDLO Cc1ncsc1C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177154622 329183275 /nfs/dbraw/zinc/18/32/75/329183275.db2.gz YEFIGAVJUAEERW-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ncsc1C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177154622 329183277 /nfs/dbraw/zinc/18/32/77/329183277.db2.gz YEFIGAVJUAEERW-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO C[C@H]1SCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1C ZINC000187056872 329352010 /nfs/dbraw/zinc/35/20/10/329352010.db2.gz YWTGJPYXAZDPPE-GHMZBOCLSA-N 1 2 280.824 3.537 20 30 CHEDLO C[C@H]1SCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1C ZINC000187056872 329352011 /nfs/dbraw/zinc/35/20/11/329352011.db2.gz YWTGJPYXAZDPPE-GHMZBOCLSA-N 1 2 280.824 3.537 20 30 CHEDLO N#Cc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)o1 ZINC000162562284 330070217 /nfs/dbraw/zinc/07/02/17/330070217.db2.gz UZTDYNVCOBVTET-UHFFFAOYSA-N 1 2 282.299 3.540 20 30 CHEDLO C#CC[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccccc1 ZINC000271549186 330081099 /nfs/dbraw/zinc/08/10/99/330081099.db2.gz RWIYIPVWEYDNSL-GXTWGEPZSA-N 1 2 256.374 3.558 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271730906 330081962 /nfs/dbraw/zinc/08/19/62/330081962.db2.gz OZYQLTLQVAVNMK-VIFPVBQESA-N 1 2 284.190 3.630 20 30 CHEDLO N#CC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000057907995 330381124 /nfs/dbraw/zinc/38/11/24/330381124.db2.gz PJXBBHBGSOGXEZ-UHFFFAOYSA-N 1 2 289.429 3.607 20 30 CHEDLO N#CCCC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000431496002 330585614 /nfs/dbraw/zinc/58/56/14/330585614.db2.gz SDBVDRBNMCINBG-MRXNPFEDSA-N 1 2 292.386 3.623 20 30 CHEDLO FC(F)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441163467 330759924 /nfs/dbraw/zinc/75/99/24/330759924.db2.gz ILGYYYXOCAVWQD-UHFFFAOYSA-N 1 2 283.749 3.669 20 30 CHEDLO N#C[C@H]1[N@H+](CCC2=CCCCC2)CCC[C@@]12CCCCO2 ZINC000450881422 331004670 /nfs/dbraw/zinc/00/46/70/331004670.db2.gz MDCMZPKDUXXGTE-MSOLQXFVSA-N 1 2 288.435 3.804 20 30 CHEDLO N#C[C@H]1[N@@H+](CCC2=CCCCC2)CCC[C@@]12CCCCO2 ZINC000450881422 331004671 /nfs/dbraw/zinc/00/46/71/331004671.db2.gz MDCMZPKDUXXGTE-MSOLQXFVSA-N 1 2 288.435 3.804 20 30 CHEDLO Fc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451852687 331044693 /nfs/dbraw/zinc/04/46/93/331044693.db2.gz KRGPOQWQYNJIPF-SFHVURJKSA-N 1 2 295.357 3.997 20 30 CHEDLO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451852687 331044694 /nfs/dbraw/zinc/04/46/94/331044694.db2.gz KRGPOQWQYNJIPF-SFHVURJKSA-N 1 2 295.357 3.997 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F ZINC000453299589 331112978 /nfs/dbraw/zinc/11/29/78/331112978.db2.gz UWROSOZQMPQFFH-ABAIWWIYSA-N 1 2 278.346 3.959 20 30 CHEDLO C=CCC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccco1 ZINC000453336722 331118694 /nfs/dbraw/zinc/11/86/94/331118694.db2.gz FLDCRWOVXJTYDD-UONOGXRCSA-N 1 2 273.380 3.854 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1sc(C)cc1Br ZINC000453564877 331134342 /nfs/dbraw/zinc/13/43/42/331134342.db2.gz HNSRFKKVPHARNG-SECBINFHSA-N 1 2 287.226 3.601 20 30 CHEDLO N#CCC[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459751732 331298391 /nfs/dbraw/zinc/29/83/91/331298391.db2.gz QIUBZSSTZPJJOQ-MRXNPFEDSA-N 1 2 254.377 3.907 20 30 CHEDLO N#CCC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459751732 331298392 /nfs/dbraw/zinc/29/83/92/331298392.db2.gz QIUBZSSTZPJJOQ-MRXNPFEDSA-N 1 2 254.377 3.907 20 30 CHEDLO Cc1[nH+]c2ccccn2c1COc1cc(Cl)ccc1C#N ZINC000474403142 331584448 /nfs/dbraw/zinc/58/44/48/331584448.db2.gz OWCZYQPCYOIPLY-UHFFFAOYSA-N 1 2 297.745 3.747 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000510874124 332919414 /nfs/dbraw/zinc/91/94/14/332919414.db2.gz XVWAWOZVWIVZNW-UHFFFAOYSA-N 1 2 287.165 3.821 20 30 CHEDLO C=CCCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000511381935 332931358 /nfs/dbraw/zinc/93/13/58/332931358.db2.gz JHPAMDBODOGLFO-UHFFFAOYSA-N 1 2 282.343 3.570 20 30 CHEDLO C=CC[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000489011396 332037517 /nfs/dbraw/zinc/03/75/17/332037517.db2.gz LZHJIXJCHOMPSX-OAHLLOKOSA-N 1 2 291.354 3.633 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000489466631 332054081 /nfs/dbraw/zinc/05/40/81/332054081.db2.gz YSFVJXVPHUYGLK-LBPRGKRZSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000489466631 332054082 /nfs/dbraw/zinc/05/40/82/332054082.db2.gz YSFVJXVPHUYGLK-LBPRGKRZSA-N 1 2 274.389 3.944 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000491727078 332310072 /nfs/dbraw/zinc/31/00/72/332310072.db2.gz KRHNUOGWYWOUCV-MRXNPFEDSA-N 1 2 271.747 3.510 20 30 CHEDLO C#C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Cl)cc1F ZINC000491768660 332336087 /nfs/dbraw/zinc/33/60/87/332336087.db2.gz ISVSHQUGBQJFHK-NHYWBVRUSA-N 1 2 288.753 3.899 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000513450497 333020282 /nfs/dbraw/zinc/02/02/82/333020282.db2.gz KOABWCCHTNARHB-UHFFFAOYSA-N 1 2 284.172 3.740 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000513496891 333022907 /nfs/dbraw/zinc/02/29/07/333022907.db2.gz MUIZNSVUSLLTFB-UHFFFAOYSA-N 1 2 273.273 3.997 20 30 CHEDLO C[N@H+](Cc1ccccc1Cl)Cc1cccc(C#N)c1F ZINC000219507913 333151399 /nfs/dbraw/zinc/15/13/99/333151399.db2.gz OHGMPJSIDUMMCJ-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccccc1Cl)Cc1cccc(C#N)c1F ZINC000219507913 333151400 /nfs/dbraw/zinc/15/14/00/333151400.db2.gz OHGMPJSIDUMMCJ-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)c(F)c1 ZINC000187372927 333169834 /nfs/dbraw/zinc/16/98/34/333169834.db2.gz URYILMMQPPKAJA-INIZCTEOSA-N 1 2 288.297 3.836 20 30 CHEDLO C=CCC[C@@H](C(=O)Nc1c[nH+]ccc1OC)c1ccccc1 ZINC000188852877 333175017 /nfs/dbraw/zinc/17/50/17/333175017.db2.gz TYAXAZAUNZURPE-OAHLLOKOSA-N 1 2 296.370 3.779 20 30 CHEDLO C(#Cc1ccccc1)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000192101056 333229513 /nfs/dbraw/zinc/22/95/13/333229513.db2.gz KFOHDNBOIWAFMU-UHFFFAOYSA-N 1 2 286.378 3.578 20 30 CHEDLO C(#Cc1ccccc1)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000192101056 333229514 /nfs/dbraw/zinc/22/95/14/333229514.db2.gz KFOHDNBOIWAFMU-UHFFFAOYSA-N 1 2 286.378 3.578 20 30 CHEDLO CC(C)(C)c1csc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000227350896 333281225 /nfs/dbraw/zinc/28/12/25/333281225.db2.gz XKNNQIKWBRTKCF-UHFFFAOYSA-N 1 2 277.437 3.566 20 30 CHEDLO CCN(CC)c1ccc(N[C@H](C)c2ccc(C#N)cc2)c[nH+]1 ZINC000315665084 333382983 /nfs/dbraw/zinc/38/29/83/333382983.db2.gz PGRKDOQJFWDWIN-CQSZACIVSA-N 1 2 294.402 3.973 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(F)cc2Cl)c1 ZINC000545927850 334006911 /nfs/dbraw/zinc/00/69/11/334006911.db2.gz GVAWEWYBRKQNMI-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO C=C[C@H](CC(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000134395345 334089658 /nfs/dbraw/zinc/08/96/58/334089658.db2.gz VIAFIOOIUVKJCC-CQSZACIVSA-N 1 2 266.344 3.688 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000237579102 334091721 /nfs/dbraw/zinc/09/17/21/334091721.db2.gz YVRIZNCPPHGQIL-NSHDSACASA-N 1 2 274.751 3.849 20 30 CHEDLO N#CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000141994046 334316577 /nfs/dbraw/zinc/31/65/77/334316577.db2.gz YQPHBVYSRLATKT-UHFFFAOYSA-N 1 2 298.415 3.622 20 30 CHEDLO C=CCCc1csc(Cc2cn3ccccc3[nH+]2)n1 ZINC000090065517 334356483 /nfs/dbraw/zinc/35/64/83/334356483.db2.gz BHOQALYQTZNOMM-UHFFFAOYSA-N 1 2 269.373 3.500 20 30 CHEDLO C=CCN(CCOC)c1cc[nH+]c2c(Cl)cccc12 ZINC000553245529 334371525 /nfs/dbraw/zinc/37/15/25/334371525.db2.gz XHOGBRNYWGTIOB-UHFFFAOYSA-N 1 2 276.767 3.527 20 30 CHEDLO Cc1cc(Cl)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092139441 334398095 /nfs/dbraw/zinc/39/80/95/334398095.db2.gz SQMBVSQXIGQMGA-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccccc2)cs1 ZINC000158131134 334793359 /nfs/dbraw/zinc/79/33/59/334793359.db2.gz WFPDHLYAXXTDNL-UHFFFAOYSA-N 1 2 270.401 3.984 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCCO[C@@H]2C)[nH+]1 ZINC000330042560 534518180 /nfs/dbraw/zinc/51/81/80/534518180.db2.gz CEFVAUNIYLXIII-CHWSQXEVSA-N 1 2 299.374 3.788 20 30 CHEDLO CC[N@H+](Cc1csc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000076720326 521443926 /nfs/dbraw/zinc/44/39/26/521443926.db2.gz JCIRCHTXIWQNLP-LBPRGKRZSA-N 1 2 285.416 3.906 20 30 CHEDLO CC[N@@H+](Cc1csc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000076720326 521443933 /nfs/dbraw/zinc/44/39/33/521443933.db2.gz JCIRCHTXIWQNLP-LBPRGKRZSA-N 1 2 285.416 3.906 20 30 CHEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000281089792 523559057 /nfs/dbraw/zinc/55/90/57/523559057.db2.gz KBIKSHMDELPWLD-QGZVFWFLSA-N 1 2 294.402 3.502 20 30 CHEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000281089792 523559068 /nfs/dbraw/zinc/55/90/68/523559068.db2.gz KBIKSHMDELPWLD-QGZVFWFLSA-N 1 2 294.402 3.502 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000130662597 524743926 /nfs/dbraw/zinc/74/39/26/524743926.db2.gz ILHHELOYWYYLLD-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000130662597 524743938 /nfs/dbraw/zinc/74/39/38/524743938.db2.gz ILHHELOYWYYLLD-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)n1 ZINC000160369108 524896508 /nfs/dbraw/zinc/89/65/08/524896508.db2.gz XMPVHNBSRRWKPI-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)n1 ZINC000160369108 524896518 /nfs/dbraw/zinc/89/65/18/524896518.db2.gz XMPVHNBSRRWKPI-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000274809187 526553010 /nfs/dbraw/zinc/55/30/10/526553010.db2.gz UJIREEUBHFMQFN-INIZCTEOSA-N 1 2 285.778 3.877 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000274809187 526553014 /nfs/dbraw/zinc/55/30/14/526553014.db2.gz UJIREEUBHFMQFN-INIZCTEOSA-N 1 2 285.778 3.877 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000355941409 526906330 /nfs/dbraw/zinc/90/63/30/526906330.db2.gz ZGQACBNQWYRIPW-UHFFFAOYSA-N 1 2 272.323 3.633 20 30 CHEDLO C=C1CC[NH+](Cc2cscc2Br)CC1 ZINC000347784118 526906453 /nfs/dbraw/zinc/90/64/53/526906453.db2.gz QDXGKZANSKOOCX-UHFFFAOYSA-N 1 2 272.211 3.663 20 30 CHEDLO C=CCCC[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000351922412 527268096 /nfs/dbraw/zinc/26/80/96/527268096.db2.gz GGZYCTPRPGROEZ-GFCCVEGCSA-N 1 2 261.369 3.565 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000347185173 527575808 /nfs/dbraw/zinc/57/58/08/527575808.db2.gz CBRPPAJKJOLIRS-UHFFFAOYSA-N 1 2 265.225 3.601 20 30 CHEDLO C=CC[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000347185173 527575816 /nfs/dbraw/zinc/57/58/16/527575816.db2.gz CBRPPAJKJOLIRS-UHFFFAOYSA-N 1 2 265.225 3.601 20 30 CHEDLO CCC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(F)cc1 ZINC000356055034 528152284 /nfs/dbraw/zinc/15/22/84/528152284.db2.gz CECQRSQCIQKOKA-UHFFFAOYSA-N 1 2 289.379 3.566 20 30 CHEDLO CCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(F)cc1 ZINC000356055034 528152295 /nfs/dbraw/zinc/15/22/95/528152295.db2.gz CECQRSQCIQKOKA-UHFFFAOYSA-N 1 2 289.379 3.566 20 30 CHEDLO C=CCCc1ccccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000800155273 1125473907 /nfs/dbraw/zinc/47/39/07/1125473907.db2.gz ISYABZBOTURPBS-UHFFFAOYSA-N 1 2 291.354 3.705 20 30 CHEDLO Cc1c[nH+]cc(Nc2c(C#N)ccc(F)c2F)c1C ZINC001213533993 1118556152 /nfs/dbraw/zinc/55/61/52/1118556152.db2.gz GZPLMLRMPNDNQA-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CSc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC000348302639 1125503174 /nfs/dbraw/zinc/50/31/74/1125503174.db2.gz COSXCRGMFWGUNI-UHFFFAOYSA-N 1 2 282.412 3.912 20 30 CHEDLO CSc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC000348302639 1125503177 /nfs/dbraw/zinc/50/31/77/1125503177.db2.gz COSXCRGMFWGUNI-UHFFFAOYSA-N 1 2 282.412 3.912 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(F)c(C#N)cc2C)c1 ZINC001203667508 1122441029 /nfs/dbraw/zinc/44/10/29/1122441029.db2.gz MTRFUTSHGAPIDM-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001193919972 1122729591 /nfs/dbraw/zinc/72/95/91/1122729591.db2.gz IEKKQGSAWRUBKN-LBPRGKRZSA-N 1 2 290.476 3.847 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001193919972 1122729599 /nfs/dbraw/zinc/72/95/99/1122729599.db2.gz IEKKQGSAWRUBKN-LBPRGKRZSA-N 1 2 290.476 3.847 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246564928 1125645179 /nfs/dbraw/zinc/64/51/79/1125645179.db2.gz RMGRNZQGPDRSCN-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246564928 1125645182 /nfs/dbraw/zinc/64/51/82/1125645182.db2.gz RMGRNZQGPDRSCN-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000536645321 1125768695 /nfs/dbraw/zinc/76/86/95/1125768695.db2.gz NTFVNUZFBCFKRM-UHFFFAOYSA-N 1 2 272.392 3.524 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000536645321 1125768700 /nfs/dbraw/zinc/76/87/00/1125768700.db2.gz NTFVNUZFBCFKRM-UHFFFAOYSA-N 1 2 272.392 3.524 20 30 CHEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccc2)s1)CC1CC1 ZINC000174694180 1126772687 /nfs/dbraw/zinc/77/26/87/1126772687.db2.gz DLAPIWCUUMNLOR-UHFFFAOYSA-N 1 2 297.427 3.936 20 30 CHEDLO N#CCC[N@H+](Cc1cnc(-c2ccccc2)s1)CC1CC1 ZINC000174694180 1126772690 /nfs/dbraw/zinc/77/26/90/1126772690.db2.gz DLAPIWCUUMNLOR-UHFFFAOYSA-N 1 2 297.427 3.936 20 30 CHEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000483947491 1126807144 /nfs/dbraw/zinc/80/71/44/1126807144.db2.gz XWDRMNVNLJCPMC-YLJYHZDGSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000483947491 1126807146 /nfs/dbraw/zinc/80/71/46/1126807146.db2.gz XWDRMNVNLJCPMC-YLJYHZDGSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360256 1126827308 /nfs/dbraw/zinc/82/73/08/1126827308.db2.gz IGUBHGRGDVNPPZ-CVEARBPZSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360256 1126827310 /nfs/dbraw/zinc/82/73/10/1126827310.db2.gz IGUBHGRGDVNPPZ-CVEARBPZSA-N 1 2 271.408 3.624 20 30 CHEDLO CCOC(=[NH2+])c1ccc(O[C@H](C)C#C[Si](C)(C)C)cc1 ZINC001234587828 1130659463 /nfs/dbraw/zinc/65/94/63/1130659463.db2.gz DMCKFJQXOAVTJI-CYBMUJFWSA-N 1 2 289.451 3.697 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)o1 ZINC000348877203 1127132300 /nfs/dbraw/zinc/13/23/00/1127132300.db2.gz OFRMMEVPGOTGPO-UHFFFAOYSA-N 1 2 298.390 3.507 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)o1 ZINC000348877203 1127132301 /nfs/dbraw/zinc/13/23/01/1127132301.db2.gz OFRMMEVPGOTGPO-UHFFFAOYSA-N 1 2 298.390 3.507 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4c(cccc4C)C3=O)n2c1 ZINC000151424685 1127134587 /nfs/dbraw/zinc/13/45/87/1127134587.db2.gz PPAPCKFBFWEBLX-ZSOIEALJSA-N 1 2 288.350 3.774 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(F)c(Cl)cc1O)C1CCCC1 ZINC001237937965 1131154011 /nfs/dbraw/zinc/15/40/11/1131154011.db2.gz VYMCHDFLMSJKIB-UHFFFAOYSA-N 1 2 296.773 3.843 20 30 CHEDLO N#CCC[N@H+](Cc1cc(F)c(Cl)cc1O)C1CCCC1 ZINC001237937965 1131154014 /nfs/dbraw/zinc/15/40/14/1131154014.db2.gz VYMCHDFLMSJKIB-UHFFFAOYSA-N 1 2 296.773 3.843 20 30 CHEDLO N#Cc1ccc(CNc2cccc[nH+]2)c(C(F)(F)F)c1 ZINC000352835465 1127246101 /nfs/dbraw/zinc/24/61/01/1127246101.db2.gz PIHYZSOJYBNVID-UHFFFAOYSA-N 1 2 277.249 3.584 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1c(F)cccc1F ZINC000590199065 1127251682 /nfs/dbraw/zinc/25/16/82/1127251682.db2.gz ORQFONOHBSWERG-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1c(F)cccc1F ZINC000590199065 1127251683 /nfs/dbraw/zinc/25/16/83/1127251683.db2.gz ORQFONOHBSWERG-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000590778701 1127272399 /nfs/dbraw/zinc/27/23/99/1127272399.db2.gz NBRKNTCVOCJASZ-KGLIPLIRSA-N 1 2 264.319 3.569 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000355352952 1127335756 /nfs/dbraw/zinc/33/57/56/1127335756.db2.gz IFVRAGZTACDKOG-UHFFFAOYSA-N 1 2 260.356 3.874 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000355352952 1127335761 /nfs/dbraw/zinc/33/57/61/1127335761.db2.gz IFVRAGZTACDKOG-UHFFFAOYSA-N 1 2 260.356 3.874 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000289289693 1127380174 /nfs/dbraw/zinc/38/01/74/1127380174.db2.gz AYSHLGJLWINJQX-INIZCTEOSA-N 1 2 282.387 3.826 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCC[C@H]2CCCCO2)c(O)c1 ZINC000761016178 1127382129 /nfs/dbraw/zinc/38/21/29/1127382129.db2.gz VGKDBJLDSUYLNP-QLENYVDCSA-N 1 2 291.391 3.559 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(-c2ccccc2)cn1 ZINC000593615833 1127391646 /nfs/dbraw/zinc/39/16/46/1127391646.db2.gz SPHMKIGSYLHSFP-CQSZACIVSA-N 1 2 279.387 3.949 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCC1 ZINC000593654972 1127393493 /nfs/dbraw/zinc/39/34/93/1127393493.db2.gz SWCVKKYJWFIOFW-LBPRGKRZSA-N 1 2 294.320 3.765 20 30 CHEDLO N#CC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CCCC1 ZINC000593654336 1127394203 /nfs/dbraw/zinc/39/42/03/1127394203.db2.gz BBMSZTJNBODAII-UHFFFAOYSA-N 1 2 289.379 3.609 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)CC1CC1 ZINC000357955533 1127396970 /nfs/dbraw/zinc/39/69/70/1127396970.db2.gz GBFZYLQTZCZOEP-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CCC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)CC1CC1 ZINC000357955533 1127396974 /nfs/dbraw/zinc/39/69/74/1127396974.db2.gz GBFZYLQTZCZOEP-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO Cc1cc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)no1 ZINC000594519056 1127421036 /nfs/dbraw/zinc/42/10/36/1127421036.db2.gz SGTXTBCLUDCQDB-ZDUSSCGKSA-N 1 2 281.359 3.585 20 30 CHEDLO CC(C)(CCC#N)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594613521 1127426096 /nfs/dbraw/zinc/42/60/96/1127426096.db2.gz PAMDMNVOLIGFMD-UHFFFAOYSA-N 1 2 264.319 3.610 20 30 CHEDLO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358557376 1127426493 /nfs/dbraw/zinc/42/64/93/1127426493.db2.gz BMWFYULEZSYTHG-MNOVXSKESA-N 1 2 289.379 3.874 20 30 CHEDLO N#Cc1cc(F)c(CNc2c[nH+]cc3c2CCCC3)c(F)c1 ZINC000594742742 1127431179 /nfs/dbraw/zinc/43/11/79/1127431179.db2.gz OJFBBGCQKITYGM-UHFFFAOYSA-N 1 2 299.324 3.722 20 30 CHEDLO N#Cc1csc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000594742743 1127431252 /nfs/dbraw/zinc/43/12/52/1127431252.db2.gz OMTJJZKTSXUHIE-UHFFFAOYSA-N 1 2 269.373 3.506 20 30 CHEDLO C=CCOCCCSCc1[nH+]cc(C)c(OC)c1C ZINC000359134210 1127451299 /nfs/dbraw/zinc/45/12/99/1127451299.db2.gz YFWOONZEPJBSNS-UHFFFAOYSA-N 1 2 281.421 3.533 20 30 CHEDLO CC(C)(C)C(F)(F)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595110220 1127453076 /nfs/dbraw/zinc/45/30/76/1127453076.db2.gz YUCNCSFCEVQVDT-AWEZNQCLSA-N 1 2 278.346 3.817 20 30 CHEDLO CC[C@H](CC(F)F)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000595463856 1127463618 /nfs/dbraw/zinc/46/36/18/1127463618.db2.gz BBTJFQYRRRFXQE-NEPJUHHUSA-N 1 2 258.356 3.682 20 30 CHEDLO CC[C@H](CC(F)F)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000595463856 1127463620 /nfs/dbraw/zinc/46/36/20/1127463620.db2.gz BBTJFQYRRRFXQE-NEPJUHHUSA-N 1 2 258.356 3.682 20 30 CHEDLO CCc1ccc2[nH+]ccc(N3CC[C@@](C)(C#N)C3)c2c1 ZINC000596531170 1127507228 /nfs/dbraw/zinc/50/72/28/1127507228.db2.gz IYXHEXNTUNSNJK-KRWDZBQOSA-N 1 2 265.360 3.537 20 30 CHEDLO CCCc1cc(N2CC[C@@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000596531465 1127507644 /nfs/dbraw/zinc/50/76/44/1127507644.db2.gz MHOALIHUYIZDBS-SFHVURJKSA-N 1 2 279.387 3.927 20 30 CHEDLO N#CC1(C[NH2+]Cc2cccc(OC3CC3)c2F)CCCC1 ZINC000597157728 1127530664 /nfs/dbraw/zinc/53/06/64/1127530664.db2.gz JCOLZSZPWDCURK-UHFFFAOYSA-N 1 2 288.366 3.540 20 30 CHEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc2O1 ZINC000602022659 1127556246 /nfs/dbraw/zinc/55/62/46/1127556246.db2.gz FITSPNCQUFTCCX-SJKOYZFVSA-N 1 2 296.345 3.699 20 30 CHEDLO CC(C)Oc1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602002796 1127556785 /nfs/dbraw/zinc/55/67/85/1127556785.db2.gz BKRJZZRMBAHTJH-UHFFFAOYSA-N 1 2 298.361 3.774 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980075 1127622996 /nfs/dbraw/zinc/62/29/96/1127622996.db2.gz LLCVVUQMRXVQAE-RISCZKNCSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980075 1127622999 /nfs/dbraw/zinc/62/29/99/1127622999.db2.gz LLCVVUQMRXVQAE-RISCZKNCSA-N 1 2 266.747 3.603 20 30 CHEDLO CC[C@@H]([NH2+]CC(F)(F)CC)c1ccc(C#N)cc1 ZINC000599068011 1127655081 /nfs/dbraw/zinc/65/50/81/1127655081.db2.gz AERPMJNMIYZSKE-CYBMUJFWSA-N 1 2 252.308 3.644 20 30 CHEDLO CC[C@H](Nc1cc(COC)cc[nH+]1)c1ccc(C#N)cc1 ZINC000593726340 1127667732 /nfs/dbraw/zinc/66/77/32/1127667732.db2.gz YJKZRCMPDQVUOF-INIZCTEOSA-N 1 2 281.359 3.663 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751992 1131240282 /nfs/dbraw/zinc/24/02/82/1131240282.db2.gz QOMYNXTYBWAZNO-INIZCTEOSA-N 1 2 286.419 3.826 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751992 1131240286 /nfs/dbraw/zinc/24/02/86/1131240286.db2.gz QOMYNXTYBWAZNO-INIZCTEOSA-N 1 2 286.419 3.826 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3c(C)cccn13)C2 ZINC000172692087 1127778398 /nfs/dbraw/zinc/77/83/98/1127778398.db2.gz WGECSJCSTZKZRD-XNTDXEJSSA-N 1 2 288.350 3.774 20 30 CHEDLO COc1ccc(C)cc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000011439641 1127783922 /nfs/dbraw/zinc/78/39/22/1127783922.db2.gz GSIPXKXBNHTYBY-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1ccc(C)cc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000011439641 1127783924 /nfs/dbraw/zinc/78/39/24/1127783924.db2.gz GSIPXKXBNHTYBY-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1ncc(C)o1 ZINC000411179588 1127845575 /nfs/dbraw/zinc/84/55/75/1127845575.db2.gz PBYLYEYLSUGYOV-CQSZACIVSA-N 1 2 286.375 3.741 20 30 CHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1ncc(C)o1 ZINC000411179588 1127845578 /nfs/dbraw/zinc/84/55/78/1127845578.db2.gz PBYLYEYLSUGYOV-CQSZACIVSA-N 1 2 286.375 3.741 20 30 CHEDLO N#CCCCCNc1[nH+]cccc1-c1ccccc1 ZINC001168427821 1127915748 /nfs/dbraw/zinc/91/57/48/1127915748.db2.gz SHMPEEWLYAVMRB-UHFFFAOYSA-N 1 2 251.333 3.854 20 30 CHEDLO C[C@H](C#N)C[N@H+](C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000541770220 1128038511 /nfs/dbraw/zinc/03/85/11/1128038511.db2.gz DDPJYNJPNCCXBH-ZZKXABKFSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000541770220 1128038516 /nfs/dbraw/zinc/03/85/16/1128038516.db2.gz DDPJYNJPNCCXBH-ZZKXABKFSA-N 1 2 276.330 3.602 20 30 CHEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccccc2C#N)s1 ZINC000171588939 1128065594 /nfs/dbraw/zinc/06/55/94/1128065594.db2.gz DFURTFGXCDEPME-LBPRGKRZSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccccc2C#N)s1 ZINC000171588939 1128065598 /nfs/dbraw/zinc/06/55/98/1128065598.db2.gz DFURTFGXCDEPME-LBPRGKRZSA-N 1 2 285.416 3.825 20 30 CHEDLO C=CC[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000777548355 1128125173 /nfs/dbraw/zinc/12/51/73/1128125173.db2.gz POJQMIWWLVSVDZ-UHFFFAOYSA-N 1 2 268.769 3.692 20 30 CHEDLO C=CC[N@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000777548355 1128125176 /nfs/dbraw/zinc/12/51/76/1128125176.db2.gz POJQMIWWLVSVDZ-UHFFFAOYSA-N 1 2 268.769 3.692 20 30 CHEDLO CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925560940 1128132477 /nfs/dbraw/zinc/13/24/77/1128132477.db2.gz AJZIHJRNFWCFEV-JSGCOSHPSA-N 1 2 294.345 3.882 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000926060927 1128151617 /nfs/dbraw/zinc/15/16/17/1128151617.db2.gz QBWULECUGPXZML-LBPRGKRZSA-N 1 2 286.354 3.752 20 30 CHEDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000777602300 1128181934 /nfs/dbraw/zinc/18/19/34/1128181934.db2.gz KDRLLSUXULKRMA-LBPRGKRZSA-N 1 2 283.350 3.936 20 30 CHEDLO CC(C)(C/[NH+]=C/c1ccccc1O)c1ccccc1 ZINC000914701162 1128232008 /nfs/dbraw/zinc/23/20/08/1128232008.db2.gz BEYPKJPYHNRLKS-LDADJPATSA-N 1 2 253.345 3.789 20 30 CHEDLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C#N)c1 ZINC000613656923 1128367039 /nfs/dbraw/zinc/36/70/39/1128367039.db2.gz XRPFYWOWZAOBHE-SECBINFHSA-N 1 2 277.780 3.519 20 30 CHEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156317 1128396719 /nfs/dbraw/zinc/39/67/19/1128396719.db2.gz AUYTUUZFKKSCMS-RYUDHWBXSA-N 1 2 280.318 3.585 20 30 CHEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156317 1128396721 /nfs/dbraw/zinc/39/67/21/1128396721.db2.gz AUYTUUZFKKSCMS-RYUDHWBXSA-N 1 2 280.318 3.585 20 30 CHEDLO CCCN[NH+]=Cc1ccc(N(C)c2ccccc2)cc1 ZINC000915965473 1128401386 /nfs/dbraw/zinc/40/13/86/1128401386.db2.gz JOSGTCCDONCWRX-UHFFFAOYSA-N 1 2 267.376 3.788 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000130678126 1128499498 /nfs/dbraw/zinc/49/94/98/1128499498.db2.gz XJOAIDLBSXOSSJ-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000130678126 1128499501 /nfs/dbraw/zinc/49/95/01/1128499501.db2.gz XJOAIDLBSXOSSJ-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC001212855274 1128599996 /nfs/dbraw/zinc/59/99/96/1128599996.db2.gz UMKWFLLJXIAIIW-LLVKDONJSA-N 1 2 283.762 3.930 20 30 CHEDLO Cc1ccc(Nc2ccc(C3(C#N)CC3)cc2)c(C)[nH+]1 ZINC001212245458 1128647674 /nfs/dbraw/zinc/64/76/74/1128647674.db2.gz QVPGCXSXNDYASV-UHFFFAOYSA-N 1 2 263.344 3.997 20 30 CHEDLO COc1cccc(/C=[NH+]/CC2CCC(C)CC2)c1O ZINC000920174465 1128670097 /nfs/dbraw/zinc/67/00/97/1128670097.db2.gz NDLZWADXQRPUCH-GZTJUZNOSA-N 1 2 261.365 3.646 20 30 CHEDLO C[C@H](N[NH+]=Cc1ccc(N2CCCCC2)o1)c1ccccc1 ZINC000920383182 1128679362 /nfs/dbraw/zinc/67/93/62/1128679362.db2.gz TXMJJHWOWLCGNB-HNNXBMFYSA-N 1 2 297.402 3.955 20 30 CHEDLO CCCCCCC[C@H](C)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001258043837 1128685112 /nfs/dbraw/zinc/68/51/12/1128685112.db2.gz GYWSQGKJTWJMHC-UONOGXRCSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@H](C)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001258043837 1128685114 /nfs/dbraw/zinc/68/51/14/1128685114.db2.gz GYWSQGKJTWJMHC-UONOGXRCSA-N 1 2 257.393 3.738 20 30 CHEDLO CCc1ccc[nH+]c1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212249811 1128685820 /nfs/dbraw/zinc/68/58/20/1128685820.db2.gz OGWBDZUHZQPVIC-UHFFFAOYSA-N 1 2 263.344 3.943 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCc2cccs2)c(O)c1 ZINC000920945260 1128696142 /nfs/dbraw/zinc/69/61/42/1128696142.db2.gz UETLMDUNEMNMRA-LFIBNONCSA-N 1 2 275.373 3.514 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccs3)n2c1 ZINC000254924889 1117887386 /nfs/dbraw/zinc/88/73/86/1117887386.db2.gz NLZCQNPSRJJUNG-WAYWQWQTSA-N 1 2 268.341 3.600 20 30 CHEDLO C#Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001210116402 1118158685 /nfs/dbraw/zinc/15/86/85/1118158685.db2.gz NFCKDTLPDLAPFJ-UHFFFAOYSA-N 1 2 267.719 3.713 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C(F)(F)F)cc2C#N)cc1N ZINC001210289946 1118236503 /nfs/dbraw/zinc/23/65/03/1118236503.db2.gz BNSHBXMBMVXNBK-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000683801145 1118377952 /nfs/dbraw/zinc/37/79/52/1118377952.db2.gz BTAXQFQYIDSNKX-BDAKNGLRSA-N 1 2 276.327 3.614 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000054183622 1118466935 /nfs/dbraw/zinc/46/69/35/1118466935.db2.gz DASDTGOFZIYGBI-SECBINFHSA-N 1 2 274.336 3.517 20 30 CHEDLO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1CCC#N ZINC000932924390 1118479381 /nfs/dbraw/zinc/47/93/81/1118479381.db2.gz WRWZZHNCCBMCNO-ZDUSSCGKSA-N 1 2 268.813 3.712 20 30 CHEDLO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CCC#N ZINC000932924390 1118479383 /nfs/dbraw/zinc/47/93/83/1118479383.db2.gz WRWZZHNCCBMCNO-ZDUSSCGKSA-N 1 2 268.813 3.712 20 30 CHEDLO CC(C)CCCC[N@H+](CCC#N)Cc1cccnc1 ZINC000891458242 1118688323 /nfs/dbraw/zinc/68/83/23/1118688323.db2.gz PEYUNWRTYAUDOQ-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO CC(C)CCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC000891458242 1118688327 /nfs/dbraw/zinc/68/83/27/1118688327.db2.gz PEYUNWRTYAUDOQ-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)[C@@H]1CCCc2ccccc21 ZINC000933422152 1118691138 /nfs/dbraw/zinc/69/11/38/1118691138.db2.gz SOADZZRFIZNYIT-GOSISDBHSA-N 1 2 294.398 3.804 20 30 CHEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)[C@@H]1CCCc2ccccc21 ZINC000933422152 1118691143 /nfs/dbraw/zinc/69/11/43/1118691143.db2.gz SOADZZRFIZNYIT-GOSISDBHSA-N 1 2 294.398 3.804 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000616731786 1128798073 /nfs/dbraw/zinc/79/80/73/1128798073.db2.gz NHGBFEKLBGWPNM-SFHVURJKSA-N 1 2 284.403 3.601 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000616731786 1128798077 /nfs/dbraw/zinc/79/80/77/1128798077.db2.gz NHGBFEKLBGWPNM-SFHVURJKSA-N 1 2 284.403 3.601 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616764588 1128799582 /nfs/dbraw/zinc/79/95/82/1128799582.db2.gz WYVHFTMFHMOKNB-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616764588 1128799585 /nfs/dbraw/zinc/79/95/85/1128799585.db2.gz WYVHFTMFHMOKNB-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000610989110 1118917715 /nfs/dbraw/zinc/91/77/15/1118917715.db2.gz FJNKPGRYBOKIPA-HOCLYGCPSA-N 1 2 267.376 3.513 20 30 CHEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000610989110 1118917718 /nfs/dbraw/zinc/91/77/18/1118917718.db2.gz FJNKPGRYBOKIPA-HOCLYGCPSA-N 1 2 267.376 3.513 20 30 CHEDLO C#Cc1cc(Nc2cccc(Cl)c2Cl)cc[nH+]1 ZINC001216442118 1119098601 /nfs/dbraw/zinc/09/86/01/1119098601.db2.gz RZLXOYMCENADFW-UHFFFAOYSA-N 1 2 263.127 3.535 20 30 CHEDLO C#CC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC001140589281 1119176480 /nfs/dbraw/zinc/17/64/80/1119176480.db2.gz IDBOGZVFCOTYEP-UHFFFAOYSA-N 1 2 274.216 3.900 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)cc1F ZINC000122241321 1119276912 /nfs/dbraw/zinc/27/69/12/1119276912.db2.gz LHDTXQVLWZOVAR-VIFPVBQESA-N 1 2 299.187 3.789 20 30 CHEDLO C=CCC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000154589569 1119313592 /nfs/dbraw/zinc/31/35/92/1119313592.db2.gz HCVIRMBHYQMFLY-OAHLLOKOSA-N 1 2 253.349 3.904 20 30 CHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)CC1(C#N)CC1 ZINC000343165293 1119336466 /nfs/dbraw/zinc/33/64/66/1119336466.db2.gz YLDJGJSBIODDMH-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CC1(C#N)CC1 ZINC000343165293 1119336470 /nfs/dbraw/zinc/33/64/70/1119336470.db2.gz YLDJGJSBIODDMH-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO Cc1cccc(CCCNc2c(Cl)cccc2C#N)[nH+]1 ZINC000343236622 1119360814 /nfs/dbraw/zinc/36/08/14/1119360814.db2.gz VLPMGZSCNWBYOI-UHFFFAOYSA-N 1 2 285.778 3.960 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccsc3)n2c1 ZINC000255694915 1119728067 /nfs/dbraw/zinc/72/80/67/1119728067.db2.gz DGRHOQFNRNEJFO-ARJAWSKDSA-N 1 2 268.341 3.600 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000612164605 1119739217 /nfs/dbraw/zinc/73/92/17/1119739217.db2.gz HDIMSDZDZHXKHY-MRXNPFEDSA-N 1 2 254.333 3.558 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000612164605 1119739221 /nfs/dbraw/zinc/73/92/21/1119739221.db2.gz HDIMSDZDZHXKHY-MRXNPFEDSA-N 1 2 254.333 3.558 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2cc(C#N)ccc2C1=O ZINC000901480552 1128865799 /nfs/dbraw/zinc/86/57/99/1128865799.db2.gz MZWWKWNXKXSTGM-NVNXTCNLSA-N 1 2 291.354 3.548 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1ccsc1Br ZINC000628234949 1119756749 /nfs/dbraw/zinc/75/67/49/1119756749.db2.gz SZEWRUFOXSVMNN-UHFFFAOYSA-N 1 2 260.200 3.519 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1ccsc1Br ZINC000628234949 1119756753 /nfs/dbraw/zinc/75/67/53/1119756753.db2.gz SZEWRUFOXSVMNN-UHFFFAOYSA-N 1 2 260.200 3.519 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612406626 1119782607 /nfs/dbraw/zinc/78/26/07/1119782607.db2.gz QKHRJDKLYFKQLS-GOSISDBHSA-N 1 2 294.402 3.511 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612406626 1119782608 /nfs/dbraw/zinc/78/26/08/1119782608.db2.gz QKHRJDKLYFKQLS-GOSISDBHSA-N 1 2 294.402 3.511 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccnc1Cl ZINC000177857704 1119874092 /nfs/dbraw/zinc/87/40/92/1119874092.db2.gz HHMQWJZOPZQGIO-SNVBAGLBSA-N 1 2 289.741 3.597 20 30 CHEDLO COc1cc(C)c(C(=O)/C=C\c2[nH]c(C)c(C)[nH+]2)cc1C ZINC000901492060 1128882360 /nfs/dbraw/zinc/88/23/60/1128882360.db2.gz UHECJMXTEHIJJM-SREVYHEPSA-N 1 2 284.359 3.548 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)o1 ZINC000255917250 1119995325 /nfs/dbraw/zinc/99/53/25/1119995325.db2.gz CTQSVSMFDBYHDW-ALCCZGGFSA-N 1 2 280.327 3.694 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000542692558 1120121159 /nfs/dbraw/zinc/12/11/59/1120121159.db2.gz YRYHEILZLCGMOI-NSHDSACASA-N 1 2 272.323 3.643 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000672579258 1120328804 /nfs/dbraw/zinc/32/88/04/1120328804.db2.gz RJOFHDRTEQGSIN-HNNXBMFYSA-N 1 2 266.388 3.649 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000672579258 1120328807 /nfs/dbraw/zinc/32/88/07/1120328807.db2.gz RJOFHDRTEQGSIN-HNNXBMFYSA-N 1 2 266.388 3.649 20 30 CHEDLO C=CCN(Cc1ccc(Cl)s1)Cc1c[nH+]cn1CC ZINC000417688955 1120473373 /nfs/dbraw/zinc/47/33/73/1120473373.db2.gz YIAKAQJMVOMSMT-UHFFFAOYSA-N 1 2 295.839 3.806 20 30 CHEDLO N#Cc1cc(CNc2[nH+]c3ccccc3n2C2CC2)cs1 ZINC000922330511 1120516787 /nfs/dbraw/zinc/51/67/87/1120516787.db2.gz YGVKILNUSSLNLI-UHFFFAOYSA-N 1 2 294.383 3.916 20 30 CHEDLO N#Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cs1 ZINC000922334930 1120519134 /nfs/dbraw/zinc/51/91/34/1120519134.db2.gz HLCDECDADNFLTF-HZPDHXFCSA-N 1 2 286.375 3.735 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000093838272 1120566389 /nfs/dbraw/zinc/56/63/89/1120566389.db2.gz DKLUKNAHXPTYHK-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000093838272 1120566394 /nfs/dbraw/zinc/56/63/94/1120566394.db2.gz DKLUKNAHXPTYHK-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO CCSc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000613746435 1120610121 /nfs/dbraw/zinc/61/01/21/1120610121.db2.gz WNHUHTPRIOKDTP-MRXNPFEDSA-N 1 2 274.433 3.924 20 30 CHEDLO CCSc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000613746435 1120610124 /nfs/dbraw/zinc/61/01/24/1120610124.db2.gz WNHUHTPRIOKDTP-MRXNPFEDSA-N 1 2 274.433 3.924 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC[C@@H]1CCCCO1 ZINC000182202862 1128940440 /nfs/dbraw/zinc/94/04/40/1128940440.db2.gz FORRVOUWMQKNMN-SJPXOZHESA-N 1 2 283.371 3.924 20 30 CHEDLO C=CC[N@H+](Cc1nc(CCc2ccccc2)no1)C(C)(C)C ZINC000661756332 1120808771 /nfs/dbraw/zinc/80/87/71/1120808771.db2.gz KNDXVZDWEZDYEL-UHFFFAOYSA-N 1 2 299.418 3.641 20 30 CHEDLO C=CC[N@@H+](Cc1nc(CCc2ccccc2)no1)C(C)(C)C ZINC000661756332 1120808772 /nfs/dbraw/zinc/80/87/72/1120808772.db2.gz KNDXVZDWEZDYEL-UHFFFAOYSA-N 1 2 299.418 3.641 20 30 CHEDLO CC[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000059409784 1121062602 /nfs/dbraw/zinc/06/26/02/1121062602.db2.gz CUGQYLJJSLBVGE-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000059409784 1121062611 /nfs/dbraw/zinc/06/26/11/1121062611.db2.gz CUGQYLJJSLBVGE-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO N#CCCNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000362666804 1121134147 /nfs/dbraw/zinc/13/41/47/1121134147.db2.gz GGSBUCXVBBDKKC-UHFFFAOYSA-N 1 2 289.338 3.775 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](c2ccccc2)O1 ZINC000245566871 1121207243 /nfs/dbraw/zinc/20/72/43/1121207243.db2.gz TZVCYKPLCNWXSG-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](c2ccccc2)O1 ZINC000245566871 1121207246 /nfs/dbraw/zinc/20/72/46/1121207246.db2.gz TZVCYKPLCNWXSG-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000356078763 1121283596 /nfs/dbraw/zinc/28/35/96/1121283596.db2.gz ABOLFJUJTJYBSJ-NSHDSACASA-N 1 2 295.308 3.559 20 30 CHEDLO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000356078763 1121283600 /nfs/dbraw/zinc/28/36/00/1121283600.db2.gz ABOLFJUJTJYBSJ-NSHDSACASA-N 1 2 295.308 3.559 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175717909 1121436294 /nfs/dbraw/zinc/43/62/94/1121436294.db2.gz WYNJELVHIQUSAE-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2ccnc(Cl)c2s1 ZINC000893926067 1121441894 /nfs/dbraw/zinc/44/18/94/1121441894.db2.gz XYQTXQGIGJBTEG-UHFFFAOYSA-N 1 2 279.796 3.685 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2ccnc(Cl)c2s1 ZINC000893926067 1121441898 /nfs/dbraw/zinc/44/18/98/1121441898.db2.gz XYQTXQGIGJBTEG-UHFFFAOYSA-N 1 2 279.796 3.685 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000893962653 1121445448 /nfs/dbraw/zinc/44/54/48/1121445448.db2.gz QPTPUHDFFWTJRW-SECBINFHSA-N 1 2 279.796 3.541 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000893962653 1121445450 /nfs/dbraw/zinc/44/54/50/1121445450.db2.gz QPTPUHDFFWTJRW-SECBINFHSA-N 1 2 279.796 3.541 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432915004 1121476612 /nfs/dbraw/zinc/47/66/12/1121476612.db2.gz CJCNZENTYIUENM-SECBINFHSA-N 1 2 275.154 3.914 20 30 CHEDLO C#Cc1cc(Nc2c(OCC)ccc3ccccc32)cc[nH+]1 ZINC001175978440 1121510341 /nfs/dbraw/zinc/51/03/41/1121510341.db2.gz GCFOWZUYZFHEGY-UHFFFAOYSA-N 1 2 288.350 3.780 20 30 CHEDLO COc1cc[nH+]cc1Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC001176122800 1121559060 /nfs/dbraw/zinc/55/90/60/1121559060.db2.gz IQXCMTFMHJORNS-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(F)c(C#N)c1 ZINC001176614538 1121660526 /nfs/dbraw/zinc/66/05/26/1121660526.db2.gz MIKCLPAUSXCBRJ-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000397680761 1121693951 /nfs/dbraw/zinc/69/39/51/1121693951.db2.gz INAUJPNFNSEHJR-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000397680761 1121693955 /nfs/dbraw/zinc/69/39/55/1121693955.db2.gz INAUJPNFNSEHJR-LLVKDONJSA-N 1 2 266.747 3.605 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000614402799 1121711364 /nfs/dbraw/zinc/71/13/64/1121711364.db2.gz RJQXTGQIMKTRBS-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000614402799 1121711369 /nfs/dbraw/zinc/71/13/69/1121711369.db2.gz RJQXTGQIMKTRBS-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CCCCCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727494725 1121721739 /nfs/dbraw/zinc/72/17/39/1121721739.db2.gz SVOGLPCCJDFGKT-OAHLLOKOSA-N 1 2 293.455 3.775 20 30 CHEDLO Cc1cccc2c1CCC2=NNc1cc[nH+]c2ccccc12 ZINC000730148002 1121795306 /nfs/dbraw/zinc/79/53/06/1121795306.db2.gz MEDADAYTOOZIEU-UHFFFAOYSA-N 1 2 287.366 3.728 20 30 CHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000731032011 1121843949 /nfs/dbraw/zinc/84/39/49/1121843949.db2.gz AXYHCIKHENJOEA-UHFFFAOYSA-N 1 2 286.419 3.575 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280319648 1121886075 /nfs/dbraw/zinc/88/60/75/1121886075.db2.gz UTKYEZXMOTWTNI-ZDUSSCGKSA-N 1 2 283.375 3.926 20 30 CHEDLO C#C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc(Cl)cc1 ZINC001182159740 1122115972 /nfs/dbraw/zinc/11/59/72/1122115972.db2.gz BKBQSKCPDRMQAU-HZPDHXFCSA-N 1 2 282.774 3.686 20 30 CHEDLO Fc1cccc(N2CCCC2)c1C=[NH+]OC1CCCC1 ZINC000774596801 1122210411 /nfs/dbraw/zinc/21/04/11/1122210411.db2.gz LKLLGGSIZQHRDC-UHFFFAOYSA-N 1 2 276.355 3.719 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(F)c(F)c(C#N)c2F)c1 ZINC001203670058 1122444652 /nfs/dbraw/zinc/44/46/52/1122444652.db2.gz YVYTZPUPDIPYOI-UHFFFAOYSA-N 1 2 277.249 3.731 20 30 CHEDLO C=CC[N@H+](Cc1cncn1C(C)C)Cc1ccc(OC)cc1 ZINC000425328895 1122455010 /nfs/dbraw/zinc/45/50/10/1122455010.db2.gz SOJQPCRAPCKQBK-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C=CC[N@@H+](Cc1cncn1C(C)C)Cc1ccc(OC)cc1 ZINC000425328895 1122455012 /nfs/dbraw/zinc/45/50/12/1122455012.db2.gz SOJQPCRAPCKQBK-UHFFFAOYSA-N 1 2 299.418 3.661 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccncc1Cl ZINC000425532114 1122542858 /nfs/dbraw/zinc/54/28/58/1122542858.db2.gz IKVNRQCYZQOSSN-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1Cl ZINC000425532114 1122542862 /nfs/dbraw/zinc/54/28/62/1122542862.db2.gz IKVNRQCYZQOSSN-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000775397682 1122543184 /nfs/dbraw/zinc/54/31/84/1122543184.db2.gz AEBANCWRUBRONE-INIZCTEOSA-N 1 2 298.317 3.588 20 30 CHEDLO CCCCCOc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000506453431 1122743880 /nfs/dbraw/zinc/74/38/80/1122743880.db2.gz SVLVKPQFVXMUNG-UHFFFAOYSA-N 1 2 274.408 3.991 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000506453431 1122743883 /nfs/dbraw/zinc/74/38/83/1122743883.db2.gz SVLVKPQFVXMUNG-UHFFFAOYSA-N 1 2 274.408 3.991 20 30 CHEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439431541 1122779022 /nfs/dbraw/zinc/77/90/22/1122779022.db2.gz NKMQSUOKAYUPHX-NSHDSACASA-N 1 2 274.751 3.998 20 30 CHEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439431541 1122779024 /nfs/dbraw/zinc/77/90/24/1122779024.db2.gz NKMQSUOKAYUPHX-NSHDSACASA-N 1 2 274.751 3.998 20 30 CHEDLO CCCCCCCCOC(=O)N(CC)CCn1cc[nH+]c1 ZINC001194743339 1122794336 /nfs/dbraw/zinc/79/43/36/1122794336.db2.gz HMFQBTZHJIJYHE-UHFFFAOYSA-N 1 2 295.427 3.702 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccn2)[C@H]1c1cccs1 ZINC001194890494 1122824949 /nfs/dbraw/zinc/82/49/49/1122824949.db2.gz JQCYSRZXRBDOGT-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccn2)[C@H]1c1cccs1 ZINC001194890494 1122824954 /nfs/dbraw/zinc/82/49/54/1122824954.db2.gz JQCYSRZXRBDOGT-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000507607154 1122972855 /nfs/dbraw/zinc/97/28/55/1122972855.db2.gz PSPZSDCRTJBOBR-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000334323841 1122986643 /nfs/dbraw/zinc/98/66/43/1122986643.db2.gz ZRAOHQWRQRUEQD-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO C=CCC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000776099013 1123056857 /nfs/dbraw/zinc/05/68/57/1123056857.db2.gz INYCWCGBTDCWTH-QGZVFWFLSA-N 1 2 296.370 3.774 20 30 CHEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441165717 1123063937 /nfs/dbraw/zinc/06/39/37/1123063937.db2.gz IGAKKCFQRZLXMZ-SFHVURJKSA-N 1 2 298.817 3.867 20 30 CHEDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441165717 1123063938 /nfs/dbraw/zinc/06/39/38/1123063938.db2.gz IGAKKCFQRZLXMZ-SFHVURJKSA-N 1 2 298.817 3.867 20 30 CHEDLO C#Cc1cc(Nc2ccc(Cl)c(OC(C)C)c2)cc[nH+]1 ZINC001201376066 1123093802 /nfs/dbraw/zinc/09/38/02/1123093802.db2.gz IRXRIBNYPMTGEK-UHFFFAOYSA-N 1 2 286.762 3.669 20 30 CHEDLO N#Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC001201569290 1123125978 /nfs/dbraw/zinc/12/59/78/1123125978.db2.gz AXCRGZLWHNYATH-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO CSCCC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001201692142 1123142391 /nfs/dbraw/zinc/14/23/91/1123142391.db2.gz JAKMZDZGYTUSCR-UHFFFAOYSA-N 1 2 282.840 3.809 20 30 CHEDLO CSCCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001201692142 1123142393 /nfs/dbraw/zinc/14/23/93/1123142393.db2.gz JAKMZDZGYTUSCR-UHFFFAOYSA-N 1 2 282.840 3.809 20 30 CHEDLO N#CCCC[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000340448406 1123145923 /nfs/dbraw/zinc/14/59/23/1123145923.db2.gz SMPKXCGBSNDLQM-IRXDYDNUSA-N 1 2 294.402 3.812 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201839673 1123154807 /nfs/dbraw/zinc/15/48/07/1123154807.db2.gz PKLUPAIZTLMCID-AWEZNQCLSA-N 1 2 257.393 3.740 20 30 CHEDLO CCCCCCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201839673 1123154810 /nfs/dbraw/zinc/15/48/10/1123154810.db2.gz PKLUPAIZTLMCID-AWEZNQCLSA-N 1 2 257.393 3.740 20 30 CHEDLO N#CC1(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)CC1 ZINC000520604011 1123185063 /nfs/dbraw/zinc/18/50/63/1123185063.db2.gz IQWIMDQYJLGCGD-UHFFFAOYSA-N 1 2 270.351 3.609 20 30 CHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cc1 ZINC000850410671 1123264630 /nfs/dbraw/zinc/26/46/30/1123264630.db2.gz ZYZRSLFEDFJENH-LBPRGKRZSA-N 1 2 296.361 3.748 20 30 CHEDLO CC[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H](C)C#N ZINC000093938811 1123426858 /nfs/dbraw/zinc/42/68/58/1123426858.db2.gz TWULXZOVRKSAIB-SNVBAGLBSA-N 1 2 299.187 3.570 20 30 CHEDLO CC[N@H+](Cc1cc(F)cc(Br)c1)C[C@H](C)C#N ZINC000093938811 1123426859 /nfs/dbraw/zinc/42/68/59/1123426859.db2.gz TWULXZOVRKSAIB-SNVBAGLBSA-N 1 2 299.187 3.570 20 30 CHEDLO C=CC[C@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000852410670 1123404543 /nfs/dbraw/zinc/40/45/43/1123404543.db2.gz PBNSPCXDJTWOAU-JTQLQIEISA-N 1 2 256.802 3.585 20 30 CHEDLO C=CC[C@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000852410670 1123404544 /nfs/dbraw/zinc/40/45/44/1123404544.db2.gz PBNSPCXDJTWOAU-JTQLQIEISA-N 1 2 256.802 3.585 20 30 CHEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc2ccccc21 ZINC000896502171 1123591294 /nfs/dbraw/zinc/59/12/94/1123591294.db2.gz DGLAIDNMWGASAS-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc2ccccc21 ZINC000896502171 1123591299 /nfs/dbraw/zinc/59/12/99/1123591299.db2.gz DGLAIDNMWGASAS-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO CCc1ccc(C[N@@H+](CCC#N)CC(CC)CC)nc1 ZINC000339009679 1123627831 /nfs/dbraw/zinc/62/78/31/1123627831.db2.gz FONRPBNQVISANM-UHFFFAOYSA-N 1 2 273.424 3.796 20 30 CHEDLO CCc1ccc(C[N@H+](CCC#N)CC(CC)CC)nc1 ZINC000339009679 1123627834 /nfs/dbraw/zinc/62/78/34/1123627834.db2.gz FONRPBNQVISANM-UHFFFAOYSA-N 1 2 273.424 3.796 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000186256552 1123819411 /nfs/dbraw/zinc/81/94/11/1123819411.db2.gz LHRZBSXRCBEKGY-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000186256552 1123819414 /nfs/dbraw/zinc/81/94/14/1123819414.db2.gz LHRZBSXRCBEKGY-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000339052805 1123847925 /nfs/dbraw/zinc/84/79/25/1123847925.db2.gz XTTVAPJOKYVYES-CQSZACIVSA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000339052805 1123847931 /nfs/dbraw/zinc/84/79/31/1123847931.db2.gz XTTVAPJOKYVYES-CQSZACIVSA-N 1 2 285.435 3.891 20 30 CHEDLO C[N@@H+](CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000083218027 1129150165 /nfs/dbraw/zinc/15/01/65/1129150165.db2.gz CIOSFVAPEMVYMS-UHFFFAOYSA-N 1 2 294.398 3.638 20 30 CHEDLO C[N@H+](CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000083218027 1129150167 /nfs/dbraw/zinc/15/01/67/1129150167.db2.gz CIOSFVAPEMVYMS-UHFFFAOYSA-N 1 2 294.398 3.638 20 30 CHEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000121368035 1123993437 /nfs/dbraw/zinc/99/34/37/1123993437.db2.gz NZAPFWOJPSSNAF-UHFFFAOYSA-N 1 2 298.346 3.557 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1cccc(C#N)c1O ZINC000866211659 1124037624 /nfs/dbraw/zinc/03/76/24/1124037624.db2.gz GEWBDCZCPOMRCG-FZKQIMNGSA-N 1 2 292.382 3.992 20 30 CHEDLO CCc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866270961 1124044465 /nfs/dbraw/zinc/04/44/65/1124044465.db2.gz ZOWDHRSIXOWPTP-ZDUSSCGKSA-N 1 2 280.371 3.677 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1cccc(C#N)c1O ZINC000866295538 1124048257 /nfs/dbraw/zinc/04/82/57/1124048257.db2.gz FFCVWXJHULBZIR-ZJNRKIDTSA-N 1 2 292.382 3.848 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cccc(C#N)c1O ZINC000866316867 1124052246 /nfs/dbraw/zinc/05/22/46/1124052246.db2.gz VUHQTFXJWHVDDA-ZDUSSCGKSA-N 1 2 295.386 3.811 20 30 CHEDLO Cc1cc(N[C@H](C)c2cccc(C#N)c2O)ccc1[NH+](C)C ZINC000866327539 1124053331 /nfs/dbraw/zinc/05/33/31/1124053331.db2.gz FOWBKSYUGRBNHL-CYBMUJFWSA-N 1 2 295.386 3.811 20 30 CHEDLO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866354233 1124056396 /nfs/dbraw/zinc/05/63/96/1124056396.db2.gz ZGAIPDCXHQBNNR-VXGBXAGGSA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1cccc(C#N)c1O ZINC000866364494 1124057725 /nfs/dbraw/zinc/05/77/25/1124057725.db2.gz CELRRMKNRFIEET-DGCLKSJQSA-N 1 2 294.345 3.740 20 30 CHEDLO C=CC[C@@H]1[N@H+](Cc2noc(C(C)(C)C)n2)CCCC1(C)C ZINC000444780584 1124059899 /nfs/dbraw/zinc/05/98/99/1124059899.db2.gz NKAJZHPQIPNKPR-ZDUSSCGKSA-N 1 2 291.439 3.934 20 30 CHEDLO C=CC[C@@H]1[N@@H+](Cc2noc(C(C)(C)C)n2)CCCC1(C)C ZINC000444780584 1124059902 /nfs/dbraw/zinc/05/99/02/1124059902.db2.gz NKAJZHPQIPNKPR-ZDUSSCGKSA-N 1 2 291.439 3.934 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccco1 ZINC000866564845 1124083463 /nfs/dbraw/zinc/08/34/63/1124083463.db2.gz CYQGUKJIYAGVAK-GFCCVEGCSA-N 1 2 295.333 3.748 20 30 CHEDLO C=CC[N@H+](Cc1c(F)cccc1Cl)[C@@H](C)COC ZINC000621317779 1129167090 /nfs/dbraw/zinc/16/70/90/1129167090.db2.gz ZEUJINYBWPWHLG-NSHDSACASA-N 1 2 271.763 3.502 20 30 CHEDLO C=CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H](C)COC ZINC000621317779 1129167091 /nfs/dbraw/zinc/16/70/91/1129167091.db2.gz ZEUJINYBWPWHLG-NSHDSACASA-N 1 2 271.763 3.502 20 30 CHEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001238792281 1131249730 /nfs/dbraw/zinc/24/97/30/1131249730.db2.gz HICGLWZHRFTMQB-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001238792281 1131249737 /nfs/dbraw/zinc/24/97/37/1131249737.db2.gz HICGLWZHRFTMQB-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO N#Cc1c(F)cccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000428483494 1124469699 /nfs/dbraw/zinc/46/96/99/1124469699.db2.gz JUOAZXLXLPBOPO-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000428483494 1124469704 /nfs/dbraw/zinc/46/97/04/1124469704.db2.gz JUOAZXLXLPBOPO-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO COc1cc(F)cc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000449021950 1124639767 /nfs/dbraw/zinc/63/97/67/1124639767.db2.gz GBYWWFWJISZVIK-UHFFFAOYSA-N 1 2 278.371 3.596 20 30 CHEDLO COc1cc(F)cc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000449021950 1124639769 /nfs/dbraw/zinc/63/97/69/1124639769.db2.gz GBYWWFWJISZVIK-UHFFFAOYSA-N 1 2 278.371 3.596 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+](C)CC(C)(C)C#N ZINC000449340729 1124693097 /nfs/dbraw/zinc/69/30/97/1124693097.db2.gz PZDYQQDGUFZTFK-UHFFFAOYSA-N 1 2 282.387 3.830 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+](C)CC(C)(C)C#N ZINC000449340729 1124693101 /nfs/dbraw/zinc/69/31/01/1124693101.db2.gz PZDYQQDGUFZTFK-UHFFFAOYSA-N 1 2 282.387 3.830 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccs1 ZINC000820605492 1131296612 /nfs/dbraw/zinc/29/66/12/1131296612.db2.gz SULZKIJDDLQXMG-UHFFFAOYSA-N 1 2 272.373 3.547 20 30 CHEDLO N#Cc1ccc(/C=C/c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001239291404 1131311785 /nfs/dbraw/zinc/31/17/85/1131311785.db2.gz ICYZLQQIIAOXMJ-ZZXKWVIFSA-N 1 2 275.355 3.724 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000449642134 1124830408 /nfs/dbraw/zinc/83/04/08/1124830408.db2.gz WMJRCTSKGADAQW-OAHLLOKOSA-N 1 2 284.384 3.940 20 30 CHEDLO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000449642134 1124830415 /nfs/dbraw/zinc/83/04/15/1124830415.db2.gz WMJRCTSKGADAQW-OAHLLOKOSA-N 1 2 284.384 3.940 20 30 CHEDLO C=C(Br)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340150 1124942604 /nfs/dbraw/zinc/94/26/04/1124942604.db2.gz BBHVBWLGMKPXHW-LBPRGKRZSA-N 1 2 293.208 3.850 20 30 CHEDLO C=C(Br)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340150 1124942607 /nfs/dbraw/zinc/94/26/07/1124942607.db2.gz BBHVBWLGMKPXHW-LBPRGKRZSA-N 1 2 293.208 3.850 20 30 CHEDLO CC[N@H+](Cc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876548106 1124959738 /nfs/dbraw/zinc/95/97/38/1124959738.db2.gz SYWPTSJIKDJOPU-UHFFFAOYSA-N 1 2 291.807 3.690 20 30 CHEDLO CC[N@@H+](Cc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876548106 1124959739 /nfs/dbraw/zinc/95/97/39/1124959739.db2.gz SYWPTSJIKDJOPU-UHFFFAOYSA-N 1 2 291.807 3.690 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000876790949 1124977353 /nfs/dbraw/zinc/97/73/53/1124977353.db2.gz ACVBOWWMNMDTEL-JTQLQIEISA-N 1 2 289.766 3.605 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000876790949 1124977358 /nfs/dbraw/zinc/97/73/58/1124977358.db2.gz ACVBOWWMNMDTEL-JTQLQIEISA-N 1 2 289.766 3.605 20 30 CHEDLO C#C[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(Cl)cc1 ZINC000877540562 1125042824 /nfs/dbraw/zinc/04/28/24/1125042824.db2.gz CFTHERFOSGIVMP-YVEFUNNKSA-N 1 2 299.805 3.772 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)cc2)cc1C#N ZINC001239477328 1131336578 /nfs/dbraw/zinc/33/65/78/1131336578.db2.gz UJRRDZHKBLYKSM-YBFXNURJSA-N 1 2 267.307 3.586 20 30 CHEDLO CC(C)(C)SCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000878813039 1125181427 /nfs/dbraw/zinc/18/14/27/1125181427.db2.gz HOPHYOUPDDKDEH-UHFFFAOYSA-N 1 2 274.433 3.796 20 30 CHEDLO CC(C)(C)SCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000878813039 1125181429 /nfs/dbraw/zinc/18/14/29/1125181429.db2.gz HOPHYOUPDDKDEH-UHFFFAOYSA-N 1 2 274.433 3.796 20 30 CHEDLO C[N@H+](Cc1cscc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000880360298 1125266677 /nfs/dbraw/zinc/26/66/77/1125266677.db2.gz TWSCQOOOGDXKJA-KOLCDFICSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1cscc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000880360298 1125266679 /nfs/dbraw/zinc/26/66/79/1125266679.db2.gz TWSCQOOOGDXKJA-KOLCDFICSA-N 1 2 299.237 3.635 20 30 CHEDLO C=CCCC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000882235170 1125341654 /nfs/dbraw/zinc/34/16/54/1125341654.db2.gz HYZKDSACAAZARY-QGZVFWFLSA-N 1 2 297.402 3.556 20 30 CHEDLO C=CCCC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000882235170 1125341655 /nfs/dbraw/zinc/34/16/55/1125341655.db2.gz HYZKDSACAAZARY-QGZVFWFLSA-N 1 2 297.402 3.556 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cc(C#N)ccn1 ZINC001168235664 1125421686 /nfs/dbraw/zinc/42/16/86/1125421686.db2.gz WVKGHCMWGAVGKS-OLZOCXBDSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cc(C#N)ccn1 ZINC001168235664 1125421688 /nfs/dbraw/zinc/42/16/88/1125421688.db2.gz WVKGHCMWGAVGKS-OLZOCXBDSA-N 1 2 295.361 3.600 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(F)c(F)c1 ZINC000133174335 1125434814 /nfs/dbraw/zinc/43/48/14/1125434814.db2.gz XAUCZXBITTWQQN-FNORWQNLSA-N 1 2 284.265 3.509 20 30 CHEDLO COc1ccc(C)cc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000133176945 1125434947 /nfs/dbraw/zinc/43/49/47/1125434947.db2.gz BINDWLMYOHPKBY-BQYQJAHWSA-N 1 2 292.338 3.547 20 30 CHEDLO Cc1ccc([C@H](C)C/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000737440056 1129447840 /nfs/dbraw/zinc/44/78/40/1129447840.db2.gz ASKIFHOLCFPTQC-VBEHJTROSA-N 1 2 269.344 3.629 20 30 CHEDLO CCC(CC)(C/[NH+]=C/c1ccccc1O)SC ZINC000743044657 1129511377 /nfs/dbraw/zinc/51/13/77/1129511377.db2.gz NVTGPVQVSMSCGJ-XNTDXEJSSA-N 1 2 251.395 3.733 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCc1nc2ccccc2s1 ZINC000743340573 1129520102 /nfs/dbraw/zinc/52/01/02/1129520102.db2.gz HKUIOYWMMMMPKA-BOPFTXTBSA-N 1 2 282.368 3.664 20 30 CHEDLO COc1ccc(C(C)(C)C/[NH+]=C/c2ccccc2O)cc1 ZINC000745626076 1129610791 /nfs/dbraw/zinc/61/07/91/1129610791.db2.gz IHHHIBZJTKEYJH-XDHOZWIPSA-N 1 2 283.371 3.798 20 30 CHEDLO C=CCCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000649252517 1129638777 /nfs/dbraw/zinc/63/87/77/1129638777.db2.gz NPWIDICOGRAXIS-CQSZACIVSA-N 1 2 275.396 3.830 20 30 CHEDLO C=CCCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000649252517 1129638779 /nfs/dbraw/zinc/63/87/79/1129638779.db2.gz NPWIDICOGRAXIS-CQSZACIVSA-N 1 2 275.396 3.830 20 30 CHEDLO Cc1cc[nH+]c2cc(NC=CC(=O)C(F)(F)F)ccc12 ZINC001169475342 1129729561 /nfs/dbraw/zinc/72/95/61/1129729561.db2.gz BFVMVOXHCDATDF-FNORWQNLSA-N 1 2 280.249 3.600 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@@H]3C[C@H]3c3ccccc3)c2)CC1 ZINC001169812478 1129758759 /nfs/dbraw/zinc/75/87/59/1129758759.db2.gz PZZCJBFRLAMHAO-JKSUJKDBSA-N 1 2 275.355 3.605 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnc(Br)c(C)c1 ZINC001169863316 1129762347 /nfs/dbraw/zinc/76/23/47/1129762347.db2.gz IUGXETQQWBYRTM-ZDUSSCGKSA-N 1 2 295.224 3.693 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(Br)c(C)c1 ZINC001169863316 1129762350 /nfs/dbraw/zinc/76/23/50/1129762350.db2.gz IUGXETQQWBYRTM-ZDUSSCGKSA-N 1 2 295.224 3.693 20 30 CHEDLO C=CCC[C@H](Nc1cc(COC)cc[nH+]1)c1ccco1 ZINC000652330581 1129763253 /nfs/dbraw/zinc/76/32/53/1129763253.db2.gz JZAAWFILXGAEFR-AWEZNQCLSA-N 1 2 272.348 3.940 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767696439 1129806130 /nfs/dbraw/zinc/80/61/30/1129806130.db2.gz JMWMIHXFCASVPJ-AWEZNQCLSA-N 1 2 284.359 3.518 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2cccc(OC)c2C1 ZINC001139030858 1129855844 /nfs/dbraw/zinc/85/58/44/1129855844.db2.gz VSTVKLLHSOTXQT-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1Cc2cccc(OC)c2C1 ZINC001139030858 1129855848 /nfs/dbraw/zinc/85/58/48/1129855848.db2.gz VSTVKLLHSOTXQT-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccccc1N(C)C ZINC000769570717 1129917795 /nfs/dbraw/zinc/91/77/95/1129917795.db2.gz QLMHANGSXLMUJB-UHFFFAOYSA-N 1 2 271.339 3.728 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901476400 1129928403 /nfs/dbraw/zinc/92/84/03/1129928403.db2.gz BSLUXVZPBWWEHE-VOTSOKGWSA-N 1 2 299.330 3.577 20 30 CHEDLO C=C(Cl)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000770686871 1129954712 /nfs/dbraw/zinc/95/47/12/1129954712.db2.gz IUJAKYIQUDYRNF-UHFFFAOYSA-N 1 2 271.738 3.897 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(O)c(C)c3)n2c1 ZINC000771858215 1129994153 /nfs/dbraw/zinc/99/41/53/1129994153.db2.gz HSWYZWRFHLGNEQ-ALCCZGGFSA-N 1 2 292.338 3.553 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(C#N)ccn1 ZINC000902757146 1130053074 /nfs/dbraw/zinc/05/30/74/1130053074.db2.gz OYANQNRHCSYBTH-MNOVXSKESA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1cc(C#N)ccn1 ZINC000902891153 1130079830 /nfs/dbraw/zinc/07/98/30/1130079830.db2.gz OGFLBFNNLGYYIN-QWRGUYRKSA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@H]([NH2+]C1(c2ccccc2Cl)CC1)c1cc(C#N)ccn1 ZINC000903034941 1130102893 /nfs/dbraw/zinc/10/28/93/1130102893.db2.gz GTVJIUBEPXPTSM-LBPRGKRZSA-N 1 2 297.789 3.947 20 30 CHEDLO N#CC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CCC1 ZINC000903032261 1130103218 /nfs/dbraw/zinc/10/32/18/1130103218.db2.gz HXVKQLPMJQCSPG-KRWDZBQOSA-N 1 2 295.361 3.594 20 30 CHEDLO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccc(Cl)c1O ZINC000903101115 1130112427 /nfs/dbraw/zinc/11/24/27/1130112427.db2.gz ABFHHNCCZOKMKO-LBPRGKRZSA-N 1 2 266.772 3.636 20 30 CHEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1F ZINC000903107054 1130113951 /nfs/dbraw/zinc/11/39/51/1130113951.db2.gz ZPOHCCAHYPXAPH-GFCCVEGCSA-N 1 2 266.747 3.824 20 30 CHEDLO CC(C)CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccoc1 ZINC000903265174 1130139603 /nfs/dbraw/zinc/13/96/03/1130139603.db2.gz YINGFQHTEDEHES-CQSZACIVSA-N 1 2 289.404 3.875 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCCN(c2ccccc2)C1 ZINC000788320523 1130182736 /nfs/dbraw/zinc/18/27/36/1130182736.db2.gz OHTDMBUKJLIUJF-ZGPWBKFBSA-N 1 2 294.398 3.728 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)c(F)c2)ccc1[NH+](C)C ZINC001170096155 1130225649 /nfs/dbraw/zinc/22/56/49/1130225649.db2.gz NJVQESDFPPRRJR-UHFFFAOYSA-N 1 2 283.350 3.684 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(F)c3)n21 ZINC000748994315 1130257720 /nfs/dbraw/zinc/25/77/20/1130257720.db2.gz MGKQZQDYQUNXCJ-HJWRWDBZSA-N 1 2 280.302 3.678 20 30 CHEDLO CCS[C@@H]1CCC[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000749007893 1130258097 /nfs/dbraw/zinc/25/80/97/1130258097.db2.gz NTAOGBVMDBFOOT-FWEMMINBSA-N 1 2 263.406 3.875 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)ccc1O ZINC000749000029 1130258734 /nfs/dbraw/zinc/25/87/34/1130258734.db2.gz ZXXRGAYYZGSNRL-CLFYSBASSA-N 1 2 292.338 3.553 20 30 CHEDLO CC(=NNc1[nH+]ccn1C)c1cc(Cl)cc(Cl)c1 ZINC000790299980 1130307938 /nfs/dbraw/zinc/30/79/38/1130307938.db2.gz LELJHPCKJCBHPN-UHFFFAOYSA-N 1 2 283.162 3.563 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\C[C@@H]1CCSC1 ZINC000790598240 1130320680 /nfs/dbraw/zinc/32/06/80/1130320680.db2.gz KPQOQTKGVHOGMF-NJPLLEPOSA-N 1 2 271.385 3.717 20 30 CHEDLO Cc1sccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240501674 1130332059 /nfs/dbraw/zinc/33/20/59/1130332059.db2.gz VZZQKMLVWXMVRE-LICLKQGHSA-N 1 2 269.373 3.817 20 30 CHEDLO N#CC1(c2cccc(-c3ccn4cc[nH+]c4c3)c2)CC1 ZINC001240509108 1130335028 /nfs/dbraw/zinc/33/50/28/1130335028.db2.gz RGMQQQYHODUWAK-UHFFFAOYSA-N 1 2 259.312 3.556 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc2ccccc2[nH]1 ZINC001137317737 1130340145 /nfs/dbraw/zinc/34/01/45/1130340145.db2.gz QHQBJALGQOLHFL-UHFFFAOYSA-N 1 2 255.365 3.684 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc2ccccc2[nH]1 ZINC001137317737 1130340151 /nfs/dbraw/zinc/34/01/51/1130340151.db2.gz QHQBJALGQOLHFL-UHFFFAOYSA-N 1 2 255.365 3.684 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCCOC2CCCC2)c(O)c1 ZINC000747033724 1130391432 /nfs/dbraw/zinc/39/14/32/1130391432.db2.gz UHWUTFNKNNOGLZ-QGOAFFKASA-N 1 2 291.391 3.559 20 30 CHEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC1CCCCC1 ZINC000792640437 1130485346 /nfs/dbraw/zinc/48/53/46/1130485346.db2.gz CLTQHPFXGLBPLG-UHFFFAOYSA-N 1 2 272.392 3.727 20 30 CHEDLO COCc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001240952290 1130532490 /nfs/dbraw/zinc/53/24/90/1130532490.db2.gz ALUBUWXSEFNWHW-DEDYPNTBSA-N 1 2 293.370 3.593 20 30 CHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccnc(F)c2)cc1 ZINC000781128481 1130703856 /nfs/dbraw/zinc/70/38/56/1130703856.db2.gz XEDUOZLGVRWWJE-UHFFFAOYSA-N 1 2 286.354 3.513 20 30 CHEDLO CC[C@H](C#N)c1ccc(-c2cc[nH+]c(NC)c2)cc1 ZINC001244974156 1130742387 /nfs/dbraw/zinc/74/23/87/1130742387.db2.gz YHZAYLSMEQFYNH-GFCCVEGCSA-N 1 2 251.333 3.807 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652656 1130762554 /nfs/dbraw/zinc/76/25/54/1130762554.db2.gz ZEROFSPAFZJNKR-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652656 1130762557 /nfs/dbraw/zinc/76/25/57/1130762557.db2.gz ZEROFSPAFZJNKR-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CCCCCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000813858739 1130789955 /nfs/dbraw/zinc/78/99/55/1130789955.db2.gz IWAGCBNNYQUDFM-HNNXBMFYSA-N 1 2 278.444 3.986 20 30 CHEDLO Cc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783772557 1130853467 /nfs/dbraw/zinc/85/34/67/1130853467.db2.gz LOAYEMLNHCYPPG-UHFFFAOYSA-N 1 2 282.372 3.688 20 30 CHEDLO CC(C)c1ccc[nH+]c1Nc1ccc(OCC#N)cc1 ZINC001212608010 1130909672 /nfs/dbraw/zinc/90/96/72/1130909672.db2.gz KVUKNYGUWOUDER-UHFFFAOYSA-N 1 2 267.332 3.851 20 30 CHEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(Cl)c(N)c1 ZINC000814803094 1130918813 /nfs/dbraw/zinc/91/88/13/1130918813.db2.gz JLHYOVOALDPTMM-UHFFFAOYSA-N 1 2 284.750 3.630 20 30 CHEDLO N#CC1CC[NH+](Cc2cc3sccc3nc2Cl)CC1 ZINC001236858963 1131025765 /nfs/dbraw/zinc/02/57/65/1131025765.db2.gz GJTSRQBHIJZOJT-UHFFFAOYSA-N 1 2 291.807 3.685 20 30 CHEDLO N#CC1CC[NH+](Cc2nc3ccccc3cc2Cl)CC1 ZINC001236870958 1131026746 /nfs/dbraw/zinc/02/67/46/1131026746.db2.gz OVSSMWBEGPGKJN-UHFFFAOYSA-N 1 2 285.778 3.624 20 30 CHEDLO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000798936866 1131062963 /nfs/dbraw/zinc/06/29/63/1131062963.db2.gz MEJWDVACIACELR-GXSJLCMTSA-N 1 2 255.308 3.676 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237806860 1131142644 /nfs/dbraw/zinc/14/26/44/1131142644.db2.gz WYZCRQREZZKIQW-UHFFFAOYSA-N 1 2 271.763 3.973 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237806860 1131142645 /nfs/dbraw/zinc/14/26/45/1131142645.db2.gz WYZCRQREZZKIQW-UHFFFAOYSA-N 1 2 271.763 3.973 20 30 CHEDLO C=CC[N@H+](Cc1cc(F)cc(Cl)c1O)C(C)(C)C ZINC001237802712 1131143102 /nfs/dbraw/zinc/14/31/02/1131143102.db2.gz ODBJZGIIRNVQAC-UHFFFAOYSA-N 1 2 271.763 3.971 20 30 CHEDLO C=CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C(C)(C)C ZINC001237802712 1131143104 /nfs/dbraw/zinc/14/31/04/1131143104.db2.gz ODBJZGIIRNVQAC-UHFFFAOYSA-N 1 2 271.763 3.971 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccc1Cl ZINC001238189625 1131177911 /nfs/dbraw/zinc/17/79/11/1131177911.db2.gz UJMQJSYEOTVVIF-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccc1Cl ZINC001238189625 1131177913 /nfs/dbraw/zinc/17/79/13/1131177913.db2.gz UJMQJSYEOTVVIF-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO CC1(C)C[NH+](Cc2ccc(Cl)c(C#N)c2)CC(C)(C)O1 ZINC001238198096 1131180624 /nfs/dbraw/zinc/18/06/24/1131180624.db2.gz HCFLMYXNZZINIK-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1C ZINC001117391846 1131187558 /nfs/dbraw/zinc/18/75/58/1131187558.db2.gz MWBYPOGMUFIUGI-MDZDMXLPSA-N 1 2 280.371 3.661 20 30 CHEDLO COc1c(Cl)ccc(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238338265 1131191827 /nfs/dbraw/zinc/19/18/27/1131191827.db2.gz IFVMFRVYTXEDJG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238338265 1131191829 /nfs/dbraw/zinc/19/18/29/1131191829.db2.gz IFVMFRVYTXEDJG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238586160 1131217735 /nfs/dbraw/zinc/21/77/35/1131217735.db2.gz GKCZXGUNRZXRQC-ZDUSSCGKSA-N 1 2 298.336 3.977 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238586160 1131217740 /nfs/dbraw/zinc/21/77/40/1131217740.db2.gz GKCZXGUNRZXRQC-ZDUSSCGKSA-N 1 2 298.336 3.977 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc(-c2ccccc2)cnc1F ZINC001238663531 1131228362 /nfs/dbraw/zinc/22/83/62/1131228362.db2.gz GZRFGGBQQVHRKM-UHFFFAOYSA-N 1 2 256.324 3.506 20 30 CHEDLO C=CC[N@H+](C)Cc1cc(-c2ccccc2)cnc1F ZINC001238663531 1131228368 /nfs/dbraw/zinc/22/83/68/1131228368.db2.gz GZRFGGBQQVHRKM-UHFFFAOYSA-N 1 2 256.324 3.506 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1F ZINC001137872418 1131427360 /nfs/dbraw/zinc/42/73/60/1131427360.db2.gz OXECWNRETTVWHG-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1F ZINC001137872418 1131427361 /nfs/dbraw/zinc/42/73/61/1131427361.db2.gz OXECWNRETTVWHG-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO COC(=[NH2+])c1cccc(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001171063186 1131480717 /nfs/dbraw/zinc/48/07/17/1131480717.db2.gz HJVFCCLKUBIJCH-QGZVFWFLSA-N 1 2 291.354 3.629 20 30 CHEDLO COc1ccc(-c2ccc(C[N@H+](C)CCC#N)cc2)cc1 ZINC001138515519 1131515345 /nfs/dbraw/zinc/51/53/45/1131515345.db2.gz RGICIPCHKKBZKX-UHFFFAOYSA-N 1 2 280.371 3.708 20 30 CHEDLO COc1ccc(-c2ccc(C[N@@H+](C)CCC#N)cc2)cc1 ZINC001138515519 1131515347 /nfs/dbraw/zinc/51/53/47/1131515347.db2.gz RGICIPCHKKBZKX-UHFFFAOYSA-N 1 2 280.371 3.708 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866899 1131543085 /nfs/dbraw/zinc/54/30/85/1131543085.db2.gz PBBBGYXTTNITTD-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2Cl)C1 ZINC001143866899 1131543090 /nfs/dbraw/zinc/54/30/90/1131543090.db2.gz PBBBGYXTTNITTD-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO N#C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164244 1131619597 /nfs/dbraw/zinc/61/95/97/1131619597.db2.gz OCAGEGJAUWCMBT-ZWNOBZJWSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164244 1131619600 /nfs/dbraw/zinc/61/96/00/1131619600.db2.gz OCAGEGJAUWCMBT-ZWNOBZJWSA-N 1 2 295.213 3.696 20 30 CHEDLO Cc1ccnc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1C ZINC001171177532 1131630362 /nfs/dbraw/zinc/63/03/62/1131630362.db2.gz ZVBUSZIQLNZETD-UHFFFAOYSA-N 1 2 291.354 3.594 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(Cl)cc(OC)c1 ZINC001144488208 1131644262 /nfs/dbraw/zinc/64/42/62/1131644262.db2.gz WOXNABJLCSOGBL-UHFFFAOYSA-N 1 2 280.799 3.864 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(Cl)cc(OC)c1 ZINC001144488208 1131644265 /nfs/dbraw/zinc/64/42/65/1131644265.db2.gz WOXNABJLCSOGBL-UHFFFAOYSA-N 1 2 280.799 3.864 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140339384 1131702823 /nfs/dbraw/zinc/70/28/23/1131702823.db2.gz KVXIXAODXIQISQ-INIZCTEOSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140339384 1131702824 /nfs/dbraw/zinc/70/28/24/1131702824.db2.gz KVXIXAODXIQISQ-INIZCTEOSA-N 1 2 283.400 3.546 20 30 CHEDLO C=CCCC[C@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835269919 1131802487 /nfs/dbraw/zinc/80/24/87/1131802487.db2.gz PMDKJCYXPLXCOL-HNNXBMFYSA-N 1 2 298.386 3.833 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](C#N)c3ccccc3)cc2[nH+]1 ZINC001228327182 1131857930 /nfs/dbraw/zinc/85/79/30/1131857930.db2.gz OUDWHBDGYZYYOB-INIZCTEOSA-N 1 2 263.300 3.515 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](C)C#C[Si](C)(C)C)cc2[nH+]1 ZINC001228329921 1131858658 /nfs/dbraw/zinc/85/86/58/1131858658.db2.gz RWNSJTWTTZJVMF-NSHDSACASA-N 1 2 272.424 3.519 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(NC)[nH+]c1 ZINC001171374452 1131929314 /nfs/dbraw/zinc/92/93/14/1131929314.db2.gz SGJHNIHOLOWMHZ-ZDUSSCGKSA-N 1 2 283.375 3.861 20 30 CHEDLO N#CCc1ccc[nH+]c1NCc1cccc2sccc21 ZINC001171375816 1131933181 /nfs/dbraw/zinc/93/31/81/1131933181.db2.gz DTSZIIOMDGNSEB-UHFFFAOYSA-N 1 2 279.368 3.974 20 30 CHEDLO C=CC[C@H](CCC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954141 1132137055 /nfs/dbraw/zinc/13/70/55/1132137055.db2.gz JSEFQWKFOOJRNB-OAHLLOKOSA-N 1 2 256.349 3.996 20 30 CHEDLO CCCCCC[C@H](CCC)[NH2+]C1(C#N)CCOCC1 ZINC001172392187 1132216097 /nfs/dbraw/zinc/21/60/97/1132216097.db2.gz WQCQZCUIXDWKIL-HNNXBMFYSA-N 1 2 266.429 3.788 20 30 CHEDLO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172497455 1132248202 /nfs/dbraw/zinc/24/82/02/1132248202.db2.gz CDPNXNPFFSQPGF-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H](CCCC#N)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172497455 1132248206 /nfs/dbraw/zinc/24/82/06/1132248206.db2.gz CDPNXNPFFSQPGF-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H](CCCC#N)[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172497454 1132248821 /nfs/dbraw/zinc/24/88/21/1132248821.db2.gz CDPNXNPFFSQPGF-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H](CCCC#N)[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001172497454 1132248824 /nfs/dbraw/zinc/24/88/24/1132248824.db2.gz CDPNXNPFFSQPGF-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO C=CC[C@@H](C=C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083923 1132254948 /nfs/dbraw/zinc/25/49/48/1132254948.db2.gz PPHWTZPBIDKAMH-CQSZACIVSA-N 1 2 254.333 3.597 20 30 CHEDLO O=C1C=C2C[N@H+](C3CCC4(CCCC4)CC3)CC[C@@H]2S1 ZINC001172726786 1132299006 /nfs/dbraw/zinc/29/90/06/1132299006.db2.gz RSGPOGDVCVCYFW-HNNXBMFYSA-N 1 2 291.460 3.764 20 30 CHEDLO O=C1C=C2C[N@@H+](C3CCC4(CCCC4)CC3)CC[C@@H]2S1 ZINC001172726786 1132299011 /nfs/dbraw/zinc/29/90/11/1132299011.db2.gz RSGPOGDVCVCYFW-HNNXBMFYSA-N 1 2 291.460 3.764 20 30 CHEDLO CC([NH2+]Nc1c(F)cccc1Cl)=C1CC1(F)F ZINC000841634462 1132379857 /nfs/dbraw/zinc/37/98/57/1132379857.db2.gz QFMFBKNBDLJYJY-ZETCQYMHSA-N 1 2 262.662 3.922 20 30 CHEDLO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001232006739 1132410684 /nfs/dbraw/zinc/41/06/84/1132410684.db2.gz MQTCLLKZCKUEHA-LBPRGKRZSA-N 1 2 282.309 3.749 20 30 CHEDLO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001232006739 1132410689 /nfs/dbraw/zinc/41/06/89/1132410689.db2.gz MQTCLLKZCKUEHA-LBPRGKRZSA-N 1 2 282.309 3.749 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1ncc(C)cc1Br ZINC001232177627 1132431925 /nfs/dbraw/zinc/43/19/25/1132431925.db2.gz XKTGUGHIXKDZMK-UHFFFAOYSA-N 1 2 283.213 3.551 20 30 CHEDLO C[N@H+](CC(=O)c1ccccc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232115735 1132424138 /nfs/dbraw/zinc/42/41/38/1132424138.db2.gz AKBCKPQFNCRLSQ-UHFFFAOYSA-N 1 2 298.773 3.526 20 30 CHEDLO C[N@@H+](CC(=O)c1ccccc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232115735 1132424142 /nfs/dbraw/zinc/42/41/42/1132424142.db2.gz AKBCKPQFNCRLSQ-UHFFFAOYSA-N 1 2 298.773 3.526 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1ncc(C)cc1Br ZINC001232177627 1132431921 /nfs/dbraw/zinc/43/19/21/1132431921.db2.gz XKTGUGHIXKDZMK-UHFFFAOYSA-N 1 2 283.213 3.551 20 30 CHEDLO CCCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001173308858 1132449643 /nfs/dbraw/zinc/44/96/43/1132449643.db2.gz CYKPQBCYAPSJDJ-SJORKVTESA-N 1 2 279.472 3.703 20 30 CHEDLO Cc1cccc(F)c1C[N@H+](CCC#N)C1CCCC1 ZINC001232488232 1132479636 /nfs/dbraw/zinc/47/96/36/1132479636.db2.gz PPNPRKBXYBEJIV-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO Cc1cccc(F)c1C[N@@H+](CCC#N)C1CCCC1 ZINC001232488232 1132479639 /nfs/dbraw/zinc/47/96/39/1132479639.db2.gz PPNPRKBXYBEJIV-UHFFFAOYSA-N 1 2 260.356 3.792 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CC2(C1)CCCC2 ZINC001232606277 1132491446 /nfs/dbraw/zinc/49/14/46/1132491446.db2.gz MXZLWVOWGZVHQB-UHFFFAOYSA-N 1 2 260.768 3.588 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001232609561 1132491462 /nfs/dbraw/zinc/49/14/62/1132491462.db2.gz JQOUUIDWIULWRX-UHFFFAOYSA-N 1 2 274.795 3.978 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001232673273 1132505316 /nfs/dbraw/zinc/50/53/16/1132505316.db2.gz DCFIDEDEQBRBPF-QGZVFWFLSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001232673273 1132505320 /nfs/dbraw/zinc/50/53/20/1132505320.db2.gz DCFIDEDEQBRBPF-QGZVFWFLSA-N 1 2 296.345 3.740 20 30 CHEDLO COCC1(CC/[NH+]=C\c2c(O)ccc3ccccc32)CC1 ZINC000843266035 1132510008 /nfs/dbraw/zinc/51/00/08/1132510008.db2.gz JBYZOZVFORJPJO-UNOMPAQXSA-N 1 2 283.371 3.781 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)C2CCCC2)c(F)cc1F ZINC001232781409 1132517554 /nfs/dbraw/zinc/51/75/54/1132517554.db2.gz AJLZSSOJDVHUGP-UHFFFAOYSA-N 1 2 278.346 3.932 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)c(F)cc1F ZINC001232781409 1132517561 /nfs/dbraw/zinc/51/75/61/1132517561.db2.gz AJLZSSOJDVHUGP-UHFFFAOYSA-N 1 2 278.346 3.932 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232878233 1132534911 /nfs/dbraw/zinc/53/49/11/1132534911.db2.gz ZBPYOVMWXZXCKH-JTQLQIEISA-N 1 2 284.737 3.744 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232878233 1132534915 /nfs/dbraw/zinc/53/49/15/1132534915.db2.gz ZBPYOVMWXZXCKH-JTQLQIEISA-N 1 2 284.737 3.744 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccc(F)cc2C1 ZINC001233083110 1132571433 /nfs/dbraw/zinc/57/14/33/1132571433.db2.gz UUMUEMUZWOBTPG-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccc(F)cc2C1 ZINC001233083110 1132571436 /nfs/dbraw/zinc/57/14/36/1132571436.db2.gz UUMUEMUZWOBTPG-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1ncc(C[N@H+](CCC#N)C2CCCCCCC2)o1 ZINC001233366694 1132611850 /nfs/dbraw/zinc/61/18/50/1132611850.db2.gz PIYOVYUHMCVOKN-UHFFFAOYSA-N 1 2 275.396 3.812 20 30 CHEDLO Cc1ncc(C[N@@H+](CCC#N)C2CCCCCCC2)o1 ZINC001233366694 1132611854 /nfs/dbraw/zinc/61/18/54/1132611854.db2.gz PIYOVYUHMCVOKN-UHFFFAOYSA-N 1 2 275.396 3.812 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001233481503 1132627249 /nfs/dbraw/zinc/62/72/49/1132627249.db2.gz QHVCVVXPPJUWMS-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccsc2Br)CC1 ZINC001233481503 1132627254 /nfs/dbraw/zinc/62/72/54/1132627254.db2.gz QHVCVVXPPJUWMS-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO Cc1cc(Cl)c(C)c(NCCc2ccc(C#N)cc2)[nH+]1 ZINC001156837395 1132711037 /nfs/dbraw/zinc/71/10/37/1132711037.db2.gz GPEJFWGYJHXOGB-UHFFFAOYSA-N 1 2 285.778 3.878 20 30 CHEDLO C=CCN(c1cc(SCC)cc[nH+]1)C(C)(C)C ZINC001157585681 1132735214 /nfs/dbraw/zinc/73/52/14/1132735214.db2.gz OYRCGPJCWCQDFR-UHFFFAOYSA-N 1 2 250.411 3.985 20 30 CHEDLO CC(C)c1cc(CNc2[nH+]ccc3ccc(C#N)cc32)on1 ZINC001157993547 1132759486 /nfs/dbraw/zinc/75/94/86/1132759486.db2.gz RAAWKPUZGCDVPP-UHFFFAOYSA-N 1 2 292.342 3.830 20 30 CHEDLO C[C@@H]1C[C@H](Nc2cc(CC#N)cc[nH+]2)c2ccccc21 ZINC001158470234 1132778786 /nfs/dbraw/zinc/77/87/86/1132778786.db2.gz BVBGVUZCEKBSFN-WBMJQRKESA-N 1 2 263.344 3.808 20 30 CHEDLO C#C[C@](C)(CC)Nc1[nH+]ccc2cc(OC)c(F)cc21 ZINC001158745415 1132791342 /nfs/dbraw/zinc/79/13/42/1132791342.db2.gz GLNIVGJSCCHAOJ-MRXNPFEDSA-N 1 2 272.323 3.596 20 30 CHEDLO Cc1cc(NC23CCC(C#N)(CC2)CC3)nc(C2CC2)[nH+]1 ZINC001158788449 1132793563 /nfs/dbraw/zinc/79/35/63/1132793563.db2.gz HAWUNCBOXVVEJO-UHFFFAOYSA-N 1 2 282.391 3.691 20 30 CHEDLO Cc1cn2cccc(Nc3ccc(Cl)c(C#N)c3)c2[nH+]1 ZINC001174401603 1132815618 /nfs/dbraw/zinc/81/56/18/1132815618.db2.gz IVHLKVIFMWHZNS-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO Cc1nc(C#N)ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381874 1132829246 /nfs/dbraw/zinc/82/92/46/1132829246.db2.gz RRLHVIOFGACSRQ-UHFFFAOYSA-N 1 2 291.358 3.936 20 30 CHEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cs1 ZINC001174522490 1132912479 /nfs/dbraw/zinc/91/24/79/1132912479.db2.gz OCZXXWMMZQUULX-UHFFFAOYSA-N 1 2 284.388 3.749 20 30 CHEDLO CC(C)c1ccc(CCNc2cc(CC#N)cc[nH+]2)cc1 ZINC001160812757 1132982582 /nfs/dbraw/zinc/98/25/82/1132982582.db2.gz CTTOICXRPKLPDW-UHFFFAOYSA-N 1 2 279.387 3.926 20 30 CHEDLO N#Cc1cc(Cl)cc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213032428 1133000786 /nfs/dbraw/zinc/00/07/86/1133000786.db2.gz FUYJUOOYTHLBKR-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(N[C@@H](C#N)c2ccccc2)c1 ZINC001161721664 1133020488 /nfs/dbraw/zinc/02/04/88/1133020488.db2.gz QDQQWYMESQOSRN-KRWDZBQOSA-N 1 2 288.354 3.764 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NC2(C#N)CCC2)c1 ZINC001162315685 1133069559 /nfs/dbraw/zinc/06/95/59/1133069559.db2.gz KRFVIUMSOAGRKN-UHFFFAOYSA-N 1 2 257.381 3.699 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cnc2cccc(C)n12 ZINC001162346399 1133070121 /nfs/dbraw/zinc/07/01/21/1133070121.db2.gz OZMKSPSZZIZDMY-UHFFFAOYSA-N 1 2 292.386 3.687 20 30 CHEDLO CN(Cc1ccc(C#N)cc1)c1cc2ccccc2c[nH+]1 ZINC001166537725 1133269829 /nfs/dbraw/zinc/26/98/29/1133269829.db2.gz AGUYGXKYBWQVKR-UHFFFAOYSA-N 1 2 273.339 3.743 20 30 CHEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)[nH+]c2ccccc12 ZINC001166743420 1133284732 /nfs/dbraw/zinc/28/47/32/1133284732.db2.gz RTLYYJONKPQUNA-AWEZNQCLSA-N 1 2 265.360 3.673 20 30 CHEDLO N#Cc1cccc(O)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203723886 1133359266 /nfs/dbraw/zinc/35/92/66/1133359266.db2.gz BURADXNITLSLLS-UHFFFAOYSA-N 1 2 293.370 3.998 20 30 CHEDLO Cc1sc(Nc2ccn3cc[nH+]c3c2)c(C#N)c1C ZINC001204951550 1133506846 /nfs/dbraw/zinc/50/68/46/1133506846.db2.gz VEXXRARKBZFYBF-UHFFFAOYSA-N 1 2 268.345 3.628 20 30 CHEDLO CC(C)(C#N)c1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001204982740 1133512851 /nfs/dbraw/zinc/51/28/51/1133512851.db2.gz HLOSPEGBZFFJMJ-UHFFFAOYSA-N 1 2 276.343 3.879 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001204997706 1133515041 /nfs/dbraw/zinc/51/50/41/1133515041.db2.gz PCVPDDYXXURAKS-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[NH+]2CC(C)(C#N)C2)cc1 ZINC001207932732 1133862883 /nfs/dbraw/zinc/86/28/83/1133862883.db2.gz OPOMTPQPQGYXLY-OAHLLOKOSA-N 1 2 270.420 3.834 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]2C#N)cc1 ZINC001207932842 1133864942 /nfs/dbraw/zinc/86/49/42/1133864942.db2.gz QKQYIXYMGFJAID-YJBOKZPZSA-N 1 2 270.420 3.977 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H]2C#N)cc1 ZINC001207932842 1133864947 /nfs/dbraw/zinc/86/49/47/1133864947.db2.gz QKQYIXYMGFJAID-YJBOKZPZSA-N 1 2 270.420 3.977 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC001208170658 1133895040 /nfs/dbraw/zinc/89/50/40/1133895040.db2.gz JQKKUBFCPZDWIZ-OAHLLOKOSA-N 1 2 279.424 3.563 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC001208170658 1133895044 /nfs/dbraw/zinc/89/50/44/1133895044.db2.gz JQKKUBFCPZDWIZ-OAHLLOKOSA-N 1 2 279.424 3.563 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209440550 1134019850 /nfs/dbraw/zinc/01/98/50/1134019850.db2.gz FJRDRLVQXUYRQF-HNNXBMFYSA-N 1 2 279.449 3.787 20 30 CHEDLO C=CCCCCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209440550 1134019856 /nfs/dbraw/zinc/01/98/56/1134019856.db2.gz FJRDRLVQXUYRQF-HNNXBMFYSA-N 1 2 279.449 3.787 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209438009 1134020998 /nfs/dbraw/zinc/02/09/98/1134020998.db2.gz BQWJIYZGWFQKEM-CQSZACIVSA-N 1 2 255.377 3.516 20 30 CHEDLO C=CCCCCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209438009 1134021000 /nfs/dbraw/zinc/02/10/00/1134021000.db2.gz BQWJIYZGWFQKEM-CQSZACIVSA-N 1 2 255.377 3.516 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(C#N)nc1 ZINC001209559589 1134035750 /nfs/dbraw/zinc/03/57/50/1134035750.db2.gz MXJMBSRTQLJBDW-UHFFFAOYSA-N 1 2 252.321 3.524 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1cccnc1C#N ZINC001210145486 1134156209 /nfs/dbraw/zinc/15/62/09/1134156209.db2.gz KOQVFADYGCKIIX-UHFFFAOYSA-N 1 2 252.321 3.524 20 30 CHEDLO N#Cc1ncc(Cl)cc1Nc1cccc2cc[nH+]cc21 ZINC001210225049 1134172512 /nfs/dbraw/zinc/17/25/12/1134172512.db2.gz BTSZPIQJDQDZPG-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001210501306 1134231715 /nfs/dbraw/zinc/23/17/15/1134231715.db2.gz VMKMCNKQLPCDIW-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CC#Cc1cncc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001211054771 1134357848 /nfs/dbraw/zinc/35/78/48/1134357848.db2.gz CYPLNXZVEYQQES-UHFFFAOYSA-N 1 2 293.757 3.820 20 30 CHEDLO COc1cc(C#N)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089216 1134425456 /nfs/dbraw/zinc/42/54/56/1134425456.db2.gz ZPLOEGQSNDHRSN-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO Cc1c[nH+]cc(Nc2onc(C(C)(C)C)c2C#N)c1C ZINC001213525492 1134459965 /nfs/dbraw/zinc/45/99/65/1134459965.db2.gz ZRRFINFNAAPFRG-UHFFFAOYSA-N 1 2 270.336 3.599 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(Cl)c(C#N)c2)c1C ZINC001213530595 1134461874 /nfs/dbraw/zinc/46/18/74/1134461874.db2.gz GASDQGLGEAZDAF-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO C[Si](C)(C)C#C[C@H](Oc1cc(N)cc[nH+]1)c1ccccc1 ZINC001218215850 1135070281 /nfs/dbraw/zinc/07/02/81/1135070281.db2.gz WPIFMTKHQKIUJK-INIZCTEOSA-N 1 2 296.446 3.665 20 30 CHEDLO C=CC[C@H](OCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001222138924 1135198319 /nfs/dbraw/zinc/19/83/19/1135198319.db2.gz MFXWDSLKWVEOSQ-HNNXBMFYSA-N 1 2 276.767 3.871 20 30 CHEDLO Cc1cc[nH+]c(C)c1O[C@H](C)c1ccccc1C#N ZINC001227263747 1135812240 /nfs/dbraw/zinc/81/22/40/1135812240.db2.gz HXWAEBVYZKKMMJ-CYBMUJFWSA-N 1 2 252.317 3.710 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000573456344 334939475 /nfs/dbraw/zinc/93/94/75/334939475.db2.gz ZBOVQILTMIHMGR-OAHLLOKOSA-N 1 2 299.443 3.710 20 30 CHEDLO Cc1nsc(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000574766557 335046042 /nfs/dbraw/zinc/04/60/42/335046042.db2.gz NDBMRXGXJPTQOR-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO Cc1nsc(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000574766557 335046043 /nfs/dbraw/zinc/04/60/43/335046043.db2.gz NDBMRXGXJPTQOR-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO N#CC1(C[NH+]2CCC(=Cc3ccccc3F)CC2)CC1 ZINC000347472646 226176533 /nfs/dbraw/zinc/17/65/33/226176533.db2.gz WOJWSRYCYOVZRT-UHFFFAOYSA-N 1 2 270.351 3.609 20 30 CHEDLO Cc1ccc(CCCNc2ccc(CC#N)cc2)c[nH+]1 ZINC000354633098 227053595 /nfs/dbraw/zinc/05/35/95/227053595.db2.gz NQHFTRFEFPCGPT-UHFFFAOYSA-N 1 2 265.360 3.501 20 30 CHEDLO N#Cc1csc(C[NH2+]Cc2ccc(Cl)cc2Cl)n1 ZINC000352837315 227313402 /nfs/dbraw/zinc/31/34/02/227313402.db2.gz ZFPLXQMWKBPHLO-UHFFFAOYSA-N 1 2 298.198 3.611 20 30 CHEDLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000353882783 228162013 /nfs/dbraw/zinc/16/20/13/228162013.db2.gz QPIAYZDKHIKCTP-LLVKDONJSA-N 1 2 254.358 3.697 20 30 CHEDLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C#N)s1 ZINC000353882783 228162014 /nfs/dbraw/zinc/16/20/14/228162014.db2.gz QPIAYZDKHIKCTP-LLVKDONJSA-N 1 2 254.358 3.697 20 30 CHEDLO N#CC[N@H+](CCSCc1ccccc1)C1CCCC1 ZINC000192624852 228192844 /nfs/dbraw/zinc/19/28/44/228192844.db2.gz CFSILFJKLIKSTE-UHFFFAOYSA-N 1 2 274.433 3.688 20 30 CHEDLO N#CC[N@@H+](CCSCc1ccccc1)C1CCCC1 ZINC000192624852 228192845 /nfs/dbraw/zinc/19/28/45/228192845.db2.gz CFSILFJKLIKSTE-UHFFFAOYSA-N 1 2 274.433 3.688 20 30 CHEDLO Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc[nH+]1 ZINC000119452010 260098502 /nfs/dbraw/zinc/09/85/02/260098502.db2.gz NQFHLMSJQCUCCJ-INIZCTEOSA-N 1 2 294.358 3.557 20 30 CHEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000221120902 260153270 /nfs/dbraw/zinc/15/32/70/260153270.db2.gz YGOCEIPSWMCOEQ-UHFFFAOYSA-N 1 2 291.807 3.693 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312598507 260171627 /nfs/dbraw/zinc/17/16/27/260171627.db2.gz JCRXLSDHIDGTLK-QMMMGPOBSA-N 1 2 263.193 3.837 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000299198567 260173927 /nfs/dbraw/zinc/17/39/27/260173927.db2.gz FGOCBKFOFDUWNQ-JTQLQIEISA-N 1 2 295.745 3.587 20 30 CHEDLO C[C@@H](C[N@H+](CC#N)C1CCCC1)c1cc(F)cc(F)c1 ZINC000449030664 261112431 /nfs/dbraw/zinc/11/24/31/261112431.db2.gz SDFTWCIDIYFXNO-LBPRGKRZSA-N 1 2 278.346 3.836 20 30 CHEDLO C[C@@H](C[N@@H+](CC#N)C1CCCC1)c1cc(F)cc(F)c1 ZINC000449030664 261112432 /nfs/dbraw/zinc/11/24/32/261112432.db2.gz SDFTWCIDIYFXNO-LBPRGKRZSA-N 1 2 278.346 3.836 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000444731030 261139774 /nfs/dbraw/zinc/13/97/74/261139774.db2.gz IHFLJXMHNWYESS-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444731030 261139776 /nfs/dbraw/zinc/13/97/76/261139776.db2.gz IHFLJXMHNWYESS-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO CC[C@](C)([NH2+]Cc1ccc(F)cc1C#N)c1nccs1 ZINC000173500244 261164416 /nfs/dbraw/zinc/16/44/16/261164416.db2.gz YUBATZYBSTWAJS-HNNXBMFYSA-N 1 2 289.379 3.569 20 30 CHEDLO Cc1ccc2[nH+]c(CSc3ccccc3C#N)cn2c1 ZINC000173709215 261168893 /nfs/dbraw/zinc/16/88/93/261168893.db2.gz ZYVKXKCYLDHBBA-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000184094173 262008930 /nfs/dbraw/zinc/00/89/30/262008930.db2.gz YBELHHOKOMDYKT-CYBMUJFWSA-N 1 2 270.332 3.854 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274520824 263025174 /nfs/dbraw/zinc/02/51/74/263025174.db2.gz YWBCSSTXDRGXNE-HNNXBMFYSA-N 1 2 292.810 3.653 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274520824 263025175 /nfs/dbraw/zinc/02/51/75/263025175.db2.gz YWBCSSTXDRGXNE-HNNXBMFYSA-N 1 2 292.810 3.653 20 30 CHEDLO Cc1cccn2cc(CSCCC(C)(C)C#N)[nH+]c12 ZINC000276637877 263037707 /nfs/dbraw/zinc/03/77/07/263037707.db2.gz RKGNWDHPIXSRMU-UHFFFAOYSA-N 1 2 273.405 3.816 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000293615050 263145046 /nfs/dbraw/zinc/14/50/46/263145046.db2.gz MCTVSYSRALGYRX-LBPRGKRZSA-N 1 2 287.388 3.608 20 30 CHEDLO C=C(CNc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1 ZINC000340871499 263310325 /nfs/dbraw/zinc/31/03/25/263310325.db2.gz HLPDZAUQJBUKFN-UHFFFAOYSA-N 1 2 294.402 3.592 20 30 CHEDLO C=C(CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000340871499 263310326 /nfs/dbraw/zinc/31/03/26/263310326.db2.gz HLPDZAUQJBUKFN-UHFFFAOYSA-N 1 2 294.402 3.592 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C#N)c1F ZINC000340871450 263310391 /nfs/dbraw/zinc/31/03/91/263310391.db2.gz NOOHZIRHPVOYLH-UHFFFAOYSA-N 1 2 287.382 3.849 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C#N)c1F ZINC000340871450 263310392 /nfs/dbraw/zinc/31/03/92/263310392.db2.gz NOOHZIRHPVOYLH-UHFFFAOYSA-N 1 2 287.382 3.849 20 30 CHEDLO Cc1ccn(-c2ccc([NH2+]CC(C)(C)CCC#N)cc2)n1 ZINC000341215490 263326703 /nfs/dbraw/zinc/32/67/03/263326703.db2.gz SXKHQVFLXAWIEF-UHFFFAOYSA-N 1 2 282.391 3.923 20 30 CHEDLO C=C1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000341993541 263372816 /nfs/dbraw/zinc/37/28/16/263372816.db2.gz DRCANUALQBIIBU-UHFFFAOYSA-N 1 2 293.414 3.513 20 30 CHEDLO C=C1CC[NH+](Cc2csc(CCCC)n2)CC1 ZINC000342008104 263377048 /nfs/dbraw/zinc/37/70/48/263377048.db2.gz QFSLTNFPPAEPCH-UHFFFAOYSA-N 1 2 250.411 3.638 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)cs1)Cc1ccc(OC)cc1 ZINC000129546463 264323290 /nfs/dbraw/zinc/32/32/90/264323290.db2.gz WMFHENCQULEZAT-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)cs1)Cc1ccc(OC)cc1 ZINC000129546463 264323291 /nfs/dbraw/zinc/32/32/91/264323291.db2.gz WMFHENCQULEZAT-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000356289420 266088775 /nfs/dbraw/zinc/08/87/75/266088775.db2.gz AQPQQJLDHNHVNZ-HNNXBMFYSA-N 1 2 283.400 3.742 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCCC[C@H]2c2ccccc2)n1 ZINC000356289420 266088778 /nfs/dbraw/zinc/08/87/78/266088778.db2.gz AQPQQJLDHNHVNZ-HNNXBMFYSA-N 1 2 283.400 3.742 20 30 CHEDLO Cc1cccc(C2=CC[N@H+](Cc3nc(C#N)cs3)CC2)c1 ZINC000356422077 266111142 /nfs/dbraw/zinc/11/11/42/266111142.db2.gz ULMCBKWQRPNKOM-UHFFFAOYSA-N 1 2 295.411 3.613 20 30 CHEDLO Cc1cccc(C2=CC[N@@H+](Cc3nc(C#N)cs3)CC2)c1 ZINC000356422077 266111145 /nfs/dbraw/zinc/11/11/45/266111145.db2.gz ULMCBKWQRPNKOM-UHFFFAOYSA-N 1 2 295.411 3.613 20 30 CHEDLO N#CCC[N@H+](CCC1CCCCC1)Cc1ccco1 ZINC000357924626 266386283 /nfs/dbraw/zinc/38/62/83/266386283.db2.gz OEOSKRPMNLKUDB-UHFFFAOYSA-N 1 2 260.381 3.966 20 30 CHEDLO N#CCC[N@@H+](CCC1CCCCC1)Cc1ccco1 ZINC000357924626 266386285 /nfs/dbraw/zinc/38/62/85/266386285.db2.gz OEOSKRPMNLKUDB-UHFFFAOYSA-N 1 2 260.381 3.966 20 30 CHEDLO Cc1ccc(C2CCN(c3cccc(F)c3C#N)CC2)c[nH+]1 ZINC000367795949 267118284 /nfs/dbraw/zinc/11/82/84/267118284.db2.gz YUAXCCYEAQNLAI-UHFFFAOYSA-N 1 2 295.361 3.785 20 30 CHEDLO N#CC1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCC1 ZINC000418142617 267363309 /nfs/dbraw/zinc/36/33/09/267363309.db2.gz NGKGEHPWKZUVTO-UHFFFAOYSA-N 1 2 283.400 3.594 20 30 CHEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2Cl)CCC1 ZINC000418141714 267363332 /nfs/dbraw/zinc/36/33/32/267363332.db2.gz LNRGEFUMQUXSON-UHFFFAOYSA-N 1 2 269.175 3.777 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(Cl)sc2Cl)CCC1 ZINC000418144306 267364659 /nfs/dbraw/zinc/36/46/59/267364659.db2.gz SMUKHISJBNICFA-UHFFFAOYSA-N 1 2 275.204 3.838 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CCC1 ZINC000418145321 267366415 /nfs/dbraw/zinc/36/64/15/267366415.db2.gz XKCDDIDIVFBDEW-UHFFFAOYSA-N 1 2 299.399 3.609 20 30 CHEDLO CCCCCCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123499988 268056586 /nfs/dbraw/zinc/05/65/86/268056586.db2.gz VBALKXOCGFNOMO-CVEARBPZSA-N 1 2 291.439 3.653 20 30 CHEDLO CCOc1cccc(Cl)c1C[NH2+][C@H](CC)CC#N ZINC000565175508 328082271 /nfs/dbraw/zinc/08/22/71/328082271.db2.gz VQOQUWMIBXTERA-LLVKDONJSA-N 1 2 266.772 3.521 20 30 CHEDLO CC(C)(CC#N)CNc1[nH+]ccc2ccc(F)cc21 ZINC000413399872 328144352 /nfs/dbraw/zinc/14/43/52/328144352.db2.gz BYGCJIPALCXFNT-UHFFFAOYSA-N 1 2 257.312 3.726 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(Cl)ccc1OC(F)F ZINC000267029115 328171963 /nfs/dbraw/zinc/17/19/63/328171963.db2.gz APZPOKMUTYQTQP-UHFFFAOYSA-N 1 2 288.725 3.677 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)ccc1OC(F)F ZINC000267029115 328171965 /nfs/dbraw/zinc/17/19/65/328171965.db2.gz APZPOKMUTYQTQP-UHFFFAOYSA-N 1 2 288.725 3.677 20 30 CHEDLO C[N@H+](Cc1c(F)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000284293112 328245660 /nfs/dbraw/zinc/24/56/60/328245660.db2.gz ODWCFKXCSMOAAB-MNOVXSKESA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000284293112 328245661 /nfs/dbraw/zinc/24/56/61/328245661.db2.gz ODWCFKXCSMOAAB-MNOVXSKESA-N 1 2 266.747 3.603 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccsc2)s1 ZINC000535077434 328384572 /nfs/dbraw/zinc/38/45/72/328384572.db2.gz OVVRXVVGLPNPQN-UHFFFAOYSA-N 1 2 291.445 3.996 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccsc2)s1 ZINC000535077434 328384574 /nfs/dbraw/zinc/38/45/74/328384574.db2.gz OVVRXVVGLPNPQN-UHFFFAOYSA-N 1 2 291.445 3.996 20 30 CHEDLO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000281654221 328500572 /nfs/dbraw/zinc/50/05/72/328500572.db2.gz PXBGZEZXXSOTLX-VHSXEESVSA-N 1 2 255.308 3.676 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000533419092 326830918 /nfs/dbraw/zinc/83/09/18/326830918.db2.gz BEQHDOXXBCOAPJ-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO Cc1cc(C)c(NC(=O)/C=C\c2cccc(C#N)c2)c(C)[nH+]1 ZINC000255670956 327004038 /nfs/dbraw/zinc/00/40/38/327004038.db2.gz QPCZCIAYSQFLLK-FPLPWBNLSA-N 1 2 291.354 3.530 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000181314448 327208449 /nfs/dbraw/zinc/20/84/49/327208449.db2.gz GXPUHMVYRCZZSM-UHFFFAOYSA-N 1 2 286.444 3.936 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000181314448 327208452 /nfs/dbraw/zinc/20/84/52/327208452.db2.gz GXPUHMVYRCZZSM-UHFFFAOYSA-N 1 2 286.444 3.936 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)c1C ZINC000564662015 327248651 /nfs/dbraw/zinc/24/86/51/327248651.db2.gz UYAVNZLNGDNLJD-HOCLYGCPSA-N 1 2 280.375 3.593 20 30 CHEDLO C[C@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@H](C)S1 ZINC000532745825 328808299 /nfs/dbraw/zinc/80/82/99/328808299.db2.gz CVEOQGUIBMQGGW-STQMWFEESA-N 1 2 279.836 3.517 20 30 CHEDLO C=CCOc1ccc(OCc2ccc(C)[nH+]c2C)cc1 ZINC000358694235 328892690 /nfs/dbraw/zinc/89/26/90/328892690.db2.gz RBVQQISZJUVYPA-UHFFFAOYSA-N 1 2 269.344 3.842 20 30 CHEDLO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1ccc(Cl)s1 ZINC000193625572 329060085 /nfs/dbraw/zinc/06/00/85/329060085.db2.gz NEWXUQWGISVZIA-UHFFFAOYSA-N 1 2 293.823 3.887 20 30 CHEDLO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1ccc(Cl)s1 ZINC000193625572 329060087 /nfs/dbraw/zinc/06/00/87/329060087.db2.gz NEWXUQWGISVZIA-UHFFFAOYSA-N 1 2 293.823 3.887 20 30 CHEDLO C[C@H](CC[N@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000193986596 329064616 /nfs/dbraw/zinc/06/46/16/329064616.db2.gz MJWWGKDEPFSZHM-OAHLLOKOSA-N 1 2 256.393 3.948 20 30 CHEDLO C[C@H](CC[N@@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000193986596 329064618 /nfs/dbraw/zinc/06/46/18/329064618.db2.gz MJWWGKDEPFSZHM-OAHLLOKOSA-N 1 2 256.393 3.948 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)o1 ZINC000360075153 329071273 /nfs/dbraw/zinc/07/12/73/329071273.db2.gz LLNRYRFIUBPSHB-INIZCTEOSA-N 1 2 288.297 3.767 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)o1 ZINC000360075153 329071274 /nfs/dbraw/zinc/07/12/74/329071274.db2.gz LLNRYRFIUBPSHB-INIZCTEOSA-N 1 2 288.297 3.767 20 30 CHEDLO Cc1ccc(C#N)cc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000063889529 329082380 /nfs/dbraw/zinc/08/23/80/329082380.db2.gz HZVLPMOUPAMLBR-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC000181292104 329229833 /nfs/dbraw/zinc/22/98/33/329229833.db2.gz ASAJKMPNFVZLBS-UHFFFAOYSA-N 1 2 250.411 3.809 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1csc(C2CCCC2)n1 ZINC000181292104 329229835 /nfs/dbraw/zinc/22/98/35/329229835.db2.gz ASAJKMPNFVZLBS-UHFFFAOYSA-N 1 2 250.411 3.809 20 30 CHEDLO Cc1ccc(CSc2cccc(C#N)c2)c(C)[nH+]1 ZINC000186629326 329346603 /nfs/dbraw/zinc/34/66/03/329346603.db2.gz KBTFUPNDKBPSLW-UHFFFAOYSA-N 1 2 254.358 3.862 20 30 CHEDLO Cc1ccc(CNc2cc(C#N)ccc2OC(C)C)c(C)[nH+]1 ZINC000187725856 329363046 /nfs/dbraw/zinc/36/30/46/329363046.db2.gz BLIQBMOYSXTGLO-UHFFFAOYSA-N 1 2 295.386 3.969 20 30 CHEDLO Cc1cc(N2CCC(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425209225 329640497 /nfs/dbraw/zinc/64/04/97/329640497.db2.gz OJYBSKJQJPPYOZ-UHFFFAOYSA-N 1 2 277.371 3.646 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2cccs2)o1 ZINC000067485561 329850829 /nfs/dbraw/zinc/85/08/29/329850829.db2.gz KAMMFOXZHCCZCR-UHFFFAOYSA-N 1 2 260.362 3.577 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000271170342 330077943 /nfs/dbraw/zinc/07/79/43/330077943.db2.gz PUXIMWGTHDSJSC-UHFFFAOYSA-N 1 2 281.783 3.509 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000271797403 330082559 /nfs/dbraw/zinc/08/25/59/330082559.db2.gz XGWWXUHPIIHKGT-SECBINFHSA-N 1 2 285.725 3.835 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000279282721 330122899 /nfs/dbraw/zinc/12/28/99/330122899.db2.gz KIHOFBMFHUVRSP-UHFFFAOYSA-N 1 2 283.375 3.525 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000279282721 330122901 /nfs/dbraw/zinc/12/29/01/330122901.db2.gz KIHOFBMFHUVRSP-UHFFFAOYSA-N 1 2 283.375 3.525 20 30 CHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000533282134 330356518 /nfs/dbraw/zinc/35/65/18/330356518.db2.gz RNRFIYLCQREJGV-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1c(F)cccc1F ZINC000537028617 330387243 /nfs/dbraw/zinc/38/72/43/330387243.db2.gz HYXIQBJJQUXOHU-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000537156879 330408456 /nfs/dbraw/zinc/40/84/56/330408456.db2.gz DBJBFJIWHFGZIU-HNNXBMFYSA-N 1 2 283.375 3.744 20 30 CHEDLO C(#Cc1ccccc1)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835843 331044296 /nfs/dbraw/zinc/04/42/96/331044296.db2.gz AMNKCSHRIFVFIV-GOSISDBHSA-N 1 2 277.367 3.858 20 30 CHEDLO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835843 331044297 /nfs/dbraw/zinc/04/42/97/331044297.db2.gz AMNKCSHRIFVFIV-GOSISDBHSA-N 1 2 277.367 3.858 20 30 CHEDLO C=CCC[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccco1 ZINC000453336721 331118588 /nfs/dbraw/zinc/11/85/88/331118588.db2.gz FLDCRWOVXJTYDD-KGLIPLIRSA-N 1 2 273.380 3.854 20 30 CHEDLO C=CCOCCCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000479599372 331739990 /nfs/dbraw/zinc/73/99/90/331739990.db2.gz AMBVTIULZCGHCQ-UHFFFAOYSA-N 1 2 296.823 3.814 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000489461750 332053805 /nfs/dbraw/zinc/05/38/05/332053805.db2.gz JAAMBMHDSKUENS-AWEZNQCLSA-N 1 2 285.416 3.746 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000489461750 332053806 /nfs/dbraw/zinc/05/38/06/332053806.db2.gz JAAMBMHDSKUENS-AWEZNQCLSA-N 1 2 285.416 3.746 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000489461752 332053849 /nfs/dbraw/zinc/05/38/49/332053849.db2.gz JAAMBMHDSKUENS-CQSZACIVSA-N 1 2 285.416 3.746 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000489461752 332053850 /nfs/dbraw/zinc/05/38/50/332053850.db2.gz JAAMBMHDSKUENS-CQSZACIVSA-N 1 2 285.416 3.746 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1F ZINC000491231857 332171075 /nfs/dbraw/zinc/17/10/75/332171075.db2.gz WLOWYYPOGCWYHC-QGZVFWFLSA-N 1 2 298.748 3.815 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnc(Cl)c(C)c1)c1ccc(F)cc1 ZINC000491495787 332222869 /nfs/dbraw/zinc/22/28/69/332222869.db2.gz LUYCZYYFSOXJPG-OAHLLOKOSA-N 1 2 288.753 3.647 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000491678448 332282864 /nfs/dbraw/zinc/28/28/64/332282864.db2.gz BLTWZXGVKQNEGX-HNNXBMFYSA-N 1 2 286.787 3.737 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000491727073 332310169 /nfs/dbraw/zinc/31/01/69/332310169.db2.gz KRHNUOGWYWOUCV-INIZCTEOSA-N 1 2 271.747 3.510 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(Cl)cc1 ZINC000491764669 332333197 /nfs/dbraw/zinc/33/31/97/332333197.db2.gz CXWIAWCPTRJBGA-CQSZACIVSA-N 1 2 276.792 3.569 20 30 CHEDLO C#C[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(Cl)cc1F ZINC000491768657 332336218 /nfs/dbraw/zinc/33/62/18/332336218.db2.gz ISVSHQUGBQJFHK-ABAIWWIYSA-N 1 2 288.753 3.899 20 30 CHEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175451240 333025002 /nfs/dbraw/zinc/02/50/02/333025002.db2.gz VSCLSPCFNRINHL-AWEZNQCLSA-N 1 2 285.309 3.655 20 30 CHEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175451240 333025004 /nfs/dbraw/zinc/02/50/04/333025004.db2.gz VSCLSPCFNRINHL-AWEZNQCLSA-N 1 2 285.309 3.655 20 30 CHEDLO Cc1cccn2cc(CSc3cccc(C#N)c3)[nH+]c12 ZINC000177101788 333053476 /nfs/dbraw/zinc/05/34/76/333053476.db2.gz TVTNWQSAHZXMRR-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cscc2C(F)(F)F)c1 ZINC000517063728 333091391 /nfs/dbraw/zinc/09/13/91/333091391.db2.gz NLHRTGHWZGFDLS-UHFFFAOYSA-N 1 2 297.305 3.840 20 30 CHEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000195434634 333253160 /nfs/dbraw/zinc/25/31/60/333253160.db2.gz MCYWOQKIMDOVQP-RYUDHWBXSA-N 1 2 250.773 3.883 20 30 CHEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000195434634 333253161 /nfs/dbraw/zinc/25/31/61/333253161.db2.gz MCYWOQKIMDOVQP-RYUDHWBXSA-N 1 2 250.773 3.883 20 30 CHEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1c(F)cccc1F ZINC000229804639 333309854 /nfs/dbraw/zinc/30/98/54/333309854.db2.gz VFYMWEXIGNYWCX-NSHDSACASA-N 1 2 272.298 3.687 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ccncc2Cl)C2CC2)cc1 ZINC000173582488 335136697 /nfs/dbraw/zinc/13/66/97/335136697.db2.gz APZKMTIDGJPSHV-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ccncc2Cl)C2CC2)cc1 ZINC000173582488 335136698 /nfs/dbraw/zinc/13/66/98/335136698.db2.gz APZKMTIDGJPSHV-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO Cc1ccc2sc(C[NH+]3CCC(C)(C#N)CC3)nc2c1 ZINC000528439358 333437591 /nfs/dbraw/zinc/43/75/91/333437591.db2.gz MVFSGRGFFKTSEL-UHFFFAOYSA-N 1 2 285.416 3.730 20 30 CHEDLO CC(C)(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000538391387 333587559 /nfs/dbraw/zinc/58/75/59/333587559.db2.gz ZKMZUXMSPVVZIF-CQSZACIVSA-N 1 2 278.346 3.945 20 30 CHEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000174357929 335153156 /nfs/dbraw/zinc/15/31/56/335153156.db2.gz SAZRZRHTAUBOOE-VXGBXAGGSA-N 1 2 298.390 3.651 20 30 CHEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000128911355 333726225 /nfs/dbraw/zinc/72/62/25/333726225.db2.gz XSPKHSRLQZKORI-UHFFFAOYSA-N 1 2 294.333 3.679 20 30 CHEDLO Cc1ccnc(Nc2ccc([NH+]3CCCC3)cc2C)c1C#N ZINC000543210459 333864910 /nfs/dbraw/zinc/86/49/10/333864910.db2.gz SKSTTXYXHVKTNE-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO CCc1ccc(-c2ccc(C[NH2+]C[C@H](C)C#N)o2)cc1 ZINC000544596588 333939084 /nfs/dbraw/zinc/93/90/84/333939084.db2.gz SZDLJZXBVSJVIZ-CYBMUJFWSA-N 1 2 268.360 3.758 20 30 CHEDLO C=CCSc1ccccc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000547622981 334103168 /nfs/dbraw/zinc/10/31/68/334103168.db2.gz KZDAIYCZMXGACQ-UHFFFAOYSA-N 1 2 298.411 3.651 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000134977053 334110317 /nfs/dbraw/zinc/11/03/17/334110317.db2.gz FXFFXYPHIGZMGW-UHFFFAOYSA-N 1 2 257.164 3.633 20 30 CHEDLO C=C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000551238849 334241937 /nfs/dbraw/zinc/24/19/37/334241937.db2.gz VFXKMGGVVTYMOB-UHFFFAOYSA-N 1 2 259.397 3.880 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000552351007 334319480 /nfs/dbraw/zinc/31/94/80/334319480.db2.gz KSAIBHIKQFJSJM-MRVPVSSYSA-N 1 2 288.203 3.588 20 30 CHEDLO CCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000248878346 334320456 /nfs/dbraw/zinc/32/04/56/334320456.db2.gz RJJMPZPHUMRPKY-KFWWJZLASA-N 1 2 294.439 3.559 20 30 CHEDLO C[C@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccc(F)cc1 ZINC000577179955 335317367 /nfs/dbraw/zinc/31/73/67/335317367.db2.gz SWGNMFIMSSJBTN-CJNGLKHVSA-N 1 2 274.383 3.943 20 30 CHEDLO C[C@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)c1ccc(F)cc1 ZINC000577179955 335317368 /nfs/dbraw/zinc/31/73/68/335317368.db2.gz SWGNMFIMSSJBTN-CJNGLKHVSA-N 1 2 274.383 3.943 20 30 CHEDLO C=C[C@](C)(CC)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000577420354 335350924 /nfs/dbraw/zinc/35/09/24/335350924.db2.gz DPCGVXKWUHQIDB-QGZVFWFLSA-N 1 2 294.358 3.776 20 30 CHEDLO C=CCC(C)(C)c1noc([C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000581205146 336024583 /nfs/dbraw/zinc/02/45/83/336024583.db2.gz IJQVOCZGHVASSN-OAHLLOKOSA-N 1 2 299.418 3.964 20 30 CHEDLO C=CCC(C)(C)c1noc([C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000581205146 336024585 /nfs/dbraw/zinc/02/45/85/336024585.db2.gz IJQVOCZGHVASSN-OAHLLOKOSA-N 1 2 299.418 3.964 20 30 CHEDLO C=CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347719528 526456178 /nfs/dbraw/zinc/45/61/78/526456178.db2.gz NFYRVWXHBWWTCZ-ZDUSSCGKSA-N 1 2 261.756 3.539 20 30 CHEDLO C=CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347719528 526456183 /nfs/dbraw/zinc/45/61/83/526456183.db2.gz NFYRVWXHBWWTCZ-ZDUSSCGKSA-N 1 2 261.756 3.539 20 30 CHEDLO C=C1CC[NH+](Cc2nc(C)c(C(C)(C)C)s2)CC1 ZINC001167329298 1118305860 /nfs/dbraw/zinc/30/58/60/1118305860.db2.gz CRYBDWKDIZXPJE-UHFFFAOYSA-N 1 2 264.438 3.901 20 30 CHEDLO CC(C)(C#N)CCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000135500094 1119476224 /nfs/dbraw/zinc/47/62/24/1119476224.db2.gz AEPCWKYITDEXRA-UHFFFAOYSA-N 1 2 293.798 3.501 20 30 CHEDLO N#Cc1ccc(C2=CC[N@@H+](CC=C(Cl)Cl)CC2)cc1 ZINC000851886388 1123385798 /nfs/dbraw/zinc/38/57/98/1123385798.db2.gz QSQVXQAHYAVFFC-UHFFFAOYSA-N 1 2 293.197 3.966 20 30 CHEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001172346018 1132180703 /nfs/dbraw/zinc/18/07/03/1132180703.db2.gz FIHBGRKJVAWXPX-KGLIPLIRSA-N 1 2 289.485 3.577 20 30 CHEDLO CCCCCC[C@@H](CCCC)[NH2+][C@@H](CS)C(=O)OC ZINC001172516677 1132260228 /nfs/dbraw/zinc/26/02/28/1132260228.db2.gz KWTLDIZRHXUCDD-KGLIPLIRSA-N 1 2 289.485 3.577 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1F ZINC001232846936 1132528963 /nfs/dbraw/zinc/52/89/63/1132528963.db2.gz OYRMCDGGZWDJQG-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1F ZINC001232846936 1132528973 /nfs/dbraw/zinc/52/89/73/1132528973.db2.gz OYRMCDGGZWDJQG-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO COc1cccc(/C=[NH+]/CCc2cc3ccccc3[nH]2)c1O ZINC000135056241 1125574852 /nfs/dbraw/zinc/57/48/52/1125574852.db2.gz QJVPUSGVODBVGS-XDHOZWIPSA-N 1 2 294.354 3.544 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000161926097 1125716952 /nfs/dbraw/zinc/71/69/52/1125716952.db2.gz CIBIDSHCXOXHTH-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000161926097 1125716960 /nfs/dbraw/zinc/71/69/60/1125716960.db2.gz CIBIDSHCXOXHTH-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)CC1CC1 ZINC000093091267 1125763822 /nfs/dbraw/zinc/76/38/22/1125763822.db2.gz MNSYAJPHKVJFJK-UHFFFAOYSA-N 1 2 298.308 3.553 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)CC1CC1 ZINC000093091267 1125763826 /nfs/dbraw/zinc/76/38/26/1125763826.db2.gz MNSYAJPHKVJFJK-UHFFFAOYSA-N 1 2 298.308 3.553 20 30 CHEDLO CCCCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000093090724 1125764059 /nfs/dbraw/zinc/76/40/59/1125764059.db2.gz AOIFSJBMYWMZIM-AWEZNQCLSA-N 1 2 290.407 3.608 20 30 CHEDLO CCCCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000093090724 1125764064 /nfs/dbraw/zinc/76/40/64/1125764064.db2.gz AOIFSJBMYWMZIM-AWEZNQCLSA-N 1 2 290.407 3.608 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000093091445 1125764526 /nfs/dbraw/zinc/76/45/26/1125764526.db2.gz RODZEJMUYLIJMK-WFASDCNBSA-N 1 2 258.365 3.529 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000093091445 1125764532 /nfs/dbraw/zinc/76/45/32/1125764532.db2.gz RODZEJMUYLIJMK-WFASDCNBSA-N 1 2 258.365 3.529 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000093091447 1125765370 /nfs/dbraw/zinc/76/53/70/1125765370.db2.gz RODZEJMUYLIJMK-SWLSCSKDSA-N 1 2 258.365 3.529 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000093091447 1125765373 /nfs/dbraw/zinc/76/53/73/1125765373.db2.gz RODZEJMUYLIJMK-SWLSCSKDSA-N 1 2 258.365 3.529 20 30 CHEDLO CSc1ncc(C)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001238717216 1131237452 /nfs/dbraw/zinc/23/74/52/1131237452.db2.gz TZRAWOSOMNCMLQ-UHFFFAOYSA-N 1 2 289.448 3.770 20 30 CHEDLO CSc1ncc(C)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001238717216 1131237455 /nfs/dbraw/zinc/23/74/55/1131237455.db2.gz TZRAWOSOMNCMLQ-UHFFFAOYSA-N 1 2 289.448 3.770 20 30 CHEDLO C=C1CC[NH+](Cc2c(Cl)cccc2OC)CC1 ZINC000338310825 1126734103 /nfs/dbraw/zinc/73/41/03/1126734103.db2.gz CLQPOLCOWFWDDW-UHFFFAOYSA-N 1 2 251.757 3.501 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)C(F)(F)c1ccccc1 ZINC000905087140 1126888857 /nfs/dbraw/zinc/88/88/57/1126888857.db2.gz WGWQKIGREGHXMJ-CMDGGOBGSA-N 1 2 290.313 3.838 20 30 CHEDLO C=CCC[C@@H](CCC)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348847949 1127131456 /nfs/dbraw/zinc/13/14/56/1127131456.db2.gz LDGCJRKDMOQQLH-MRXNPFEDSA-N 1 2 284.407 3.873 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525880 1131111267 /nfs/dbraw/zinc/11/12/67/1131111267.db2.gz WLHHRNYETJJDAM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525880 1131111270 /nfs/dbraw/zinc/11/12/70/1131111270.db2.gz WLHHRNYETJJDAM-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000589503639 1127223556 /nfs/dbraw/zinc/22/35/56/1127223556.db2.gz YBYIPATXKOZNTE-KRWDZBQOSA-N 1 2 297.427 3.770 20 30 CHEDLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589503639 1127223558 /nfs/dbraw/zinc/22/35/58/1127223558.db2.gz YBYIPATXKOZNTE-KRWDZBQOSA-N 1 2 297.427 3.770 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCCOC2CCCC2)c1O ZINC000057752465 1127277788 /nfs/dbraw/zinc/27/77/88/1127277788.db2.gz KILYNBKVBAKFRO-QGOAFFKASA-N 1 2 291.391 3.559 20 30 CHEDLO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)[C@H]1c1cccc(F)c1 ZINC000592071673 1127334332 /nfs/dbraw/zinc/33/43/32/1127334332.db2.gz OCVQJYVEHFZELR-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]1c1cccc(F)c1 ZINC000592071673 1127334335 /nfs/dbraw/zinc/33/43/35/1127334335.db2.gz OCVQJYVEHFZELR-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C[N@H+](Cc1ccncc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000592122791 1127336095 /nfs/dbraw/zinc/33/60/95/1127336095.db2.gz PMNVEZBDHAYGIB-KGLIPLIRSA-N 1 2 297.324 3.506 20 30 CHEDLO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000592122791 1127336099 /nfs/dbraw/zinc/33/60/99/1127336099.db2.gz PMNVEZBDHAYGIB-KGLIPLIRSA-N 1 2 297.324 3.506 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1csc(COC)n1)c1ccco1 ZINC000289623265 1127384353 /nfs/dbraw/zinc/38/43/53/1127384353.db2.gz DRGZSAPYQOJESO-ZDUSSCGKSA-N 1 2 292.404 3.680 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2F)CCCC1 ZINC000593653055 1127393162 /nfs/dbraw/zinc/39/31/62/1127393162.db2.gz ZNJGFYWSBFMXLT-UHFFFAOYSA-N 1 2 266.747 3.653 20 30 CHEDLO CC(C)Sc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000358072614 1127401218 /nfs/dbraw/zinc/40/12/18/1127401218.db2.gz YLJAETOOIANUFN-CYBMUJFWSA-N 1 2 262.422 3.779 20 30 CHEDLO CC(C)Sc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000358072614 1127401220 /nfs/dbraw/zinc/40/12/20/1127401220.db2.gz YLJAETOOIANUFN-CYBMUJFWSA-N 1 2 262.422 3.779 20 30 CHEDLO C=C(CC)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000358882130 1127437232 /nfs/dbraw/zinc/43/72/32/1127437232.db2.gz DROIGGLZSNRKPV-HNNXBMFYSA-N 1 2 282.391 3.575 20 30 CHEDLO C=C(CC)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000358882130 1127437234 /nfs/dbraw/zinc/43/72/34/1127437234.db2.gz DROIGGLZSNRKPV-HNNXBMFYSA-N 1 2 282.391 3.575 20 30 CHEDLO CC(C)(C)c1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595635850 1127469343 /nfs/dbraw/zinc/46/93/43/1127469343.db2.gz MXJNFYGSSPYWID-UHFFFAOYSA-N 1 2 297.402 3.869 20 30 CHEDLO CC[N@H+](CC1CCC(C(F)(F)F)CC1)[C@H](C)C#N ZINC000595819540 1127476530 /nfs/dbraw/zinc/47/65/30/1127476530.db2.gz CQIRFPYGUJEOKP-VOMCLLRMSA-N 1 2 262.319 3.589 20 30 CHEDLO CC[N@@H+](CC1CCC(C(F)(F)F)CC1)[C@H](C)C#N ZINC000595819540 1127476531 /nfs/dbraw/zinc/47/65/31/1127476531.db2.gz CQIRFPYGUJEOKP-VOMCLLRMSA-N 1 2 262.319 3.589 20 30 CHEDLO CCc1cc(N2CC[C@@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000596530471 1127507283 /nfs/dbraw/zinc/50/72/83/1127507283.db2.gz DKYIJXIMPUACSL-KRWDZBQOSA-N 1 2 265.360 3.537 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360822358 1127513906 /nfs/dbraw/zinc/51/39/06/1127513906.db2.gz QEBJQCNIEQEHDS-UHFFFAOYSA-N 1 2 255.365 3.520 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360822358 1127513909 /nfs/dbraw/zinc/51/39/09/1127513909.db2.gz QEBJQCNIEQEHDS-UHFFFAOYSA-N 1 2 255.365 3.520 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCc1c[nH]c2ccccc12 ZINC000169517802 1127520156 /nfs/dbraw/zinc/52/01/56/1127520156.db2.gz DODLZXFDTNUAMY-WQRHYEAKSA-N 1 2 264.328 3.535 20 30 CHEDLO Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc21 ZINC000597080886 1127527089 /nfs/dbraw/zinc/52/70/89/1127527089.db2.gz VRDSXGDKDMSUOQ-KRWDZBQOSA-N 1 2 267.376 3.602 20 30 CHEDLO Cc1cccc2[nH]c(C[N@H+]3CCC[C@@](C)(C#N)C3)cc21 ZINC000597080886 1127527091 /nfs/dbraw/zinc/52/70/91/1127527091.db2.gz VRDSXGDKDMSUOQ-KRWDZBQOSA-N 1 2 267.376 3.602 20 30 CHEDLO CC1(C#N)CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC000597174755 1127531186 /nfs/dbraw/zinc/53/11/86/1127531186.db2.gz BKZLPXFBUKRZPV-UHFFFAOYSA-N 1 2 269.392 3.845 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230704 1127535073 /nfs/dbraw/zinc/53/50/73/1127535073.db2.gz IDWIHGIVUOHEKU-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230704 1127535075 /nfs/dbraw/zinc/53/50/75/1127535075.db2.gz IDWIHGIVUOHEKU-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602801419 1127614644 /nfs/dbraw/zinc/61/46/44/1127614644.db2.gz DBQQZCLJNIEIQW-GOSISDBHSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000602801419 1127614645 /nfs/dbraw/zinc/61/46/45/1127614645.db2.gz DBQQZCLJNIEIQW-GOSISDBHSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981987 1127623954 /nfs/dbraw/zinc/62/39/54/1127623954.db2.gz MCYNKASYXITTOJ-RHSMWYFYSA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981987 1127623955 /nfs/dbraw/zinc/62/39/55/1127623955.db2.gz MCYNKASYXITTOJ-RHSMWYFYSA-N 1 2 271.408 3.638 20 30 CHEDLO C[N@H+](Cc1ccc(Br)s1)[C@H]1CCC[C@H]1C#N ZINC000602976107 1127625901 /nfs/dbraw/zinc/62/59/01/1127625901.db2.gz KWBXPPOWYMMRNQ-ONGXEEELSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCC[C@H]1C#N ZINC000602976107 1127625902 /nfs/dbraw/zinc/62/59/02/1127625902.db2.gz KWBXPPOWYMMRNQ-ONGXEEELSA-N 1 2 299.237 3.635 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000603428313 1127648309 /nfs/dbraw/zinc/64/83/09/1127648309.db2.gz HFUCLPUUNMRGJN-YGRLFVJLSA-N 1 2 264.319 3.569 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCCc3scnc32)CCCCC1 ZINC000599053119 1127654304 /nfs/dbraw/zinc/65/43/04/1127654304.db2.gz DJTRSFFRLAEFRG-GFCCVEGCSA-N 1 2 275.421 3.584 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1C#N ZINC000599310728 1127666396 /nfs/dbraw/zinc/66/63/96/1127666396.db2.gz BBKFOYBBCIUFLR-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1C#N ZINC000599310728 1127666398 /nfs/dbraw/zinc/66/63/98/1127666398.db2.gz BBKFOYBBCIUFLR-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1C#N ZINC000599310559 1127666425 /nfs/dbraw/zinc/66/64/25/1127666425.db2.gz VJZNSEBWJCJENY-INIZCTEOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1C#N ZINC000599310559 1127666427 /nfs/dbraw/zinc/66/64/27/1127666427.db2.gz VJZNSEBWJCJENY-INIZCTEOSA-N 1 2 298.411 3.502 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCCOCC1CC1 ZINC000061242246 1127668128 /nfs/dbraw/zinc/66/81/28/1127668128.db2.gz ZMAKLRCWFKSADB-XDHOZWIPSA-N 1 2 283.371 3.781 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCCOC1CCCCC1 ZINC000061242204 1127668423 /nfs/dbraw/zinc/66/84/23/1127668423.db2.gz TYCZKNYUFSMWGN-GHRIWEEISA-N 1 2 261.365 3.551 20 30 CHEDLO COc1cccc2c1C[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000599645006 1127684698 /nfs/dbraw/zinc/68/46/98/1127684698.db2.gz ZDWNVHBKSLPRLW-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1cccc2c1C[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000599645006 1127684700 /nfs/dbraw/zinc/68/47/00/1127684700.db2.gz ZDWNVHBKSLPRLW-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000599678721 1127688158 /nfs/dbraw/zinc/68/81/58/1127688158.db2.gz LPLDKNGYURUINE-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000599678721 1127688159 /nfs/dbraw/zinc/68/81/59/1127688159.db2.gz LPLDKNGYURUINE-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO CCc1nc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000604492785 1127707504 /nfs/dbraw/zinc/70/75/04/1127707504.db2.gz OKYHNODTMQAFCJ-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1nc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000604492785 1127707506 /nfs/dbraw/zinc/70/75/06/1127707506.db2.gz OKYHNODTMQAFCJ-GFCCVEGCSA-N 1 2 285.416 3.770 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(C(C)C)no1 ZINC000299172320 1127741003 /nfs/dbraw/zinc/74/10/03/1127741003.db2.gz YGGWSIWRDWEJBZ-CYBMUJFWSA-N 1 2 289.379 3.578 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(C(C)C)no1 ZINC000299172320 1127741006 /nfs/dbraw/zinc/74/10/06/1127741006.db2.gz YGGWSIWRDWEJBZ-CYBMUJFWSA-N 1 2 289.379 3.578 20 30 CHEDLO O=C1c2ccc(Cl)cc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000172819601 1127784615 /nfs/dbraw/zinc/78/46/15/1127784615.db2.gz FGGINPPGZHZOEV-XFXZXTDPSA-N 1 2 294.741 3.810 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1ncc(C)o1 ZINC000411131960 1127842686 /nfs/dbraw/zinc/84/26/86/1127842686.db2.gz KAGKXSTUERMYCW-CQSZACIVSA-N 1 2 256.349 3.732 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1ncc(C)o1 ZINC000411131960 1127842693 /nfs/dbraw/zinc/84/26/93/1127842693.db2.gz KAGKXSTUERMYCW-CQSZACIVSA-N 1 2 256.349 3.732 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000608975262 1127896838 /nfs/dbraw/zinc/89/68/38/1127896838.db2.gz BLTPXVQJGFBKDF-MRXNPFEDSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000608975262 1127896839 /nfs/dbraw/zinc/89/68/39/1127896839.db2.gz BLTPXVQJGFBKDF-MRXNPFEDSA-N 1 2 294.398 3.857 20 30 CHEDLO CCc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000442690296 1127908698 /nfs/dbraw/zinc/90/86/98/1127908698.db2.gz JGBIEFHQQNKDPS-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000442690296 1127908700 /nfs/dbraw/zinc/90/87/00/1127908700.db2.gz JGBIEFHQQNKDPS-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO Cc1ccc2[nH]c(C[N@@H+](CCC#N)C(C)C)cc2c1C ZINC000545328763 1128011374 /nfs/dbraw/zinc/01/13/74/1128011374.db2.gz MFYIXSQIOOQCTE-UHFFFAOYSA-N 1 2 269.392 3.909 20 30 CHEDLO Cc1ccc2[nH]c(C[N@H+](CCC#N)C(C)C)cc2c1C ZINC000545328763 1128011379 /nfs/dbraw/zinc/01/13/79/1128011379.db2.gz MFYIXSQIOOQCTE-UHFFFAOYSA-N 1 2 269.392 3.909 20 30 CHEDLO CC(C)n1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000925600668 1128133448 /nfs/dbraw/zinc/13/34/48/1128133448.db2.gz IGGHUDLWVASUGL-HOCLYGCPSA-N 1 2 297.406 3.555 20 30 CHEDLO CC[C@H]([NH2+]CC1(SC)CCC1)c1cccc(C#N)c1O ZINC000926312348 1128166387 /nfs/dbraw/zinc/16/63/87/1128166387.db2.gz AKKMNVSIXJEUFJ-AWEZNQCLSA-N 1 2 290.432 3.590 20 30 CHEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000494655277 1128184929 /nfs/dbraw/zinc/18/49/29/1128184929.db2.gz PZDCVRHNKSFDOY-GOSISDBHSA-N 1 2 294.398 3.793 20 30 CHEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000494655277 1128184933 /nfs/dbraw/zinc/18/49/33/1128184933.db2.gz PZDCVRHNKSFDOY-GOSISDBHSA-N 1 2 294.398 3.793 20 30 CHEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000494702800 1128186921 /nfs/dbraw/zinc/18/69/21/1128186921.db2.gz KJCZACZMVZRFIZ-UHFFFAOYSA-N 1 2 296.370 3.535 20 30 CHEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000494702800 1128186924 /nfs/dbraw/zinc/18/69/24/1128186924.db2.gz KJCZACZMVZRFIZ-UHFFFAOYSA-N 1 2 296.370 3.535 20 30 CHEDLO C=C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000134928672 1128217039 /nfs/dbraw/zinc/21/70/39/1128217039.db2.gz KSOHUUJFHYBNDU-HTQZYQBOSA-N 1 2 288.160 3.519 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccco1 ZINC000927108786 1128218234 /nfs/dbraw/zinc/21/82/34/1128218234.db2.gz QRAYVYSMIOJRMG-HNNXBMFYSA-N 1 2 285.391 3.688 20 30 CHEDLO CCCCCCCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000762412080 1128297772 /nfs/dbraw/zinc/29/77/72/1128297772.db2.gz RGQIIEPUQCPHCO-UHFFFAOYSA-N 1 2 290.411 3.687 20 30 CHEDLO C=C[C@H](CC)CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000930476900 1128320864 /nfs/dbraw/zinc/32/08/64/1128320864.db2.gz ONPYLUGRMLRCQS-GFCCVEGCSA-N 1 2 295.452 3.526 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932384310 1128407293 /nfs/dbraw/zinc/40/72/93/1128407293.db2.gz RJNYCKDQFWQNGN-QGZVFWFLSA-N 1 2 297.789 3.848 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461355 1128461206 /nfs/dbraw/zinc/46/12/06/1128461206.db2.gz MTZAWVAXSCFTID-CHWSQXEVSA-N 1 2 292.810 3.626 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000934461355 1128461208 /nfs/dbraw/zinc/46/12/08/1128461208.db2.gz MTZAWVAXSCFTID-CHWSQXEVSA-N 1 2 292.810 3.626 20 30 CHEDLO Cc1cccc(C2=CC[N@H+](C[C@H](C#N)CCC#N)CC2)c1C ZINC000934845944 1128470642 /nfs/dbraw/zinc/47/06/42/1128470642.db2.gz HGDVHOZETPYHPS-KRWDZBQOSA-N 1 2 293.414 3.836 20 30 CHEDLO Cc1cccc(C2=CC[N@@H+](C[C@H](C#N)CCC#N)CC2)c1C ZINC000934845944 1128470643 /nfs/dbraw/zinc/47/06/43/1128470643.db2.gz HGDVHOZETPYHPS-KRWDZBQOSA-N 1 2 293.414 3.836 20 30 CHEDLO C#CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000917065598 1128473172 /nfs/dbraw/zinc/47/31/72/1128473172.db2.gz DXEXUNWSJPDDNE-CYBMUJFWSA-N 1 2 254.160 3.764 20 30 CHEDLO C#CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000917065598 1128473175 /nfs/dbraw/zinc/47/31/75/1128473175.db2.gz DXEXUNWSJPDDNE-CYBMUJFWSA-N 1 2 254.160 3.764 20 30 CHEDLO C=CC[C@H]1N(C(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1(C)C ZINC000935674618 1128498077 /nfs/dbraw/zinc/49/80/77/1128498077.db2.gz HFGIVKPLKDRWMH-MRXNPFEDSA-N 1 2 297.402 3.770 20 30 CHEDLO NC(=[NH+]OCc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC000763423904 1128519459 /nfs/dbraw/zinc/51/94/59/1128519459.db2.gz MZHGOWCFLVKUNF-UHFFFAOYSA-N 1 2 294.276 3.600 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc(C#N)ccc1F ZINC000156508898 1128636904 /nfs/dbraw/zinc/63/69/04/1128636904.db2.gz ZCUCYNQUNBTBAV-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cc(C#N)ccc1F ZINC000156508898 1128636905 /nfs/dbraw/zinc/63/69/05/1128636905.db2.gz ZCUCYNQUNBTBAV-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[C@@H](NN=Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000920383190 1128679257 /nfs/dbraw/zinc/67/92/57/1128679257.db2.gz TXWUGGZSFVOHTL-OAHLLOKOSA-N 1 2 290.370 3.557 20 30 CHEDLO CC(=NNc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000920384291 1128679298 /nfs/dbraw/zinc/67/92/98/1128679298.db2.gz QSBVWMXJPBQLGT-UHFFFAOYSA-N 1 2 294.333 3.848 20 30 CHEDLO CCCCCCC[C@H](C)[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001258044229 1128685754 /nfs/dbraw/zinc/68/57/54/1128685754.db2.gz KLJZXUBJNHKEFN-KBPBESRZSA-N 1 2 277.399 3.685 20 30 CHEDLO CCCCCCC[C@H](C)[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001258044229 1128685757 /nfs/dbraw/zinc/68/57/57/1128685757.db2.gz KLJZXUBJNHKEFN-KBPBESRZSA-N 1 2 277.399 3.685 20 30 CHEDLO CCCCCCC[C@H](C)[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001258044241 1128686017 /nfs/dbraw/zinc/68/60/17/1128686017.db2.gz KLJZXUBJNHKEFN-UONOGXRCSA-N 1 2 277.399 3.685 20 30 CHEDLO CCCCCCC[C@H](C)[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001258044241 1128686018 /nfs/dbraw/zinc/68/60/18/1128686018.db2.gz KLJZXUBJNHKEFN-UONOGXRCSA-N 1 2 277.399 3.685 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCCc2ccccc2)c(O)c1 ZINC000920943504 1128695496 /nfs/dbraw/zinc/69/54/96/1128695496.db2.gz ZFBDMXQAGIYVOP-XMHGGMMESA-N 1 2 283.371 3.843 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC2CCCCC2)c1O ZINC000920945993 1128696025 /nfs/dbraw/zinc/69/60/25/1128696025.db2.gz NDTKLXWHEPNNQB-SFQUDFHCSA-N 1 2 261.365 3.790 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccccc1C#N ZINC000610004540 1128734432 /nfs/dbraw/zinc/73/44/32/1128734432.db2.gz OXKNHLWPXSEVQR-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccccc1C#N ZINC000610004540 1128734434 /nfs/dbraw/zinc/73/44/34/1128734434.db2.gz OXKNHLWPXSEVQR-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185330539 1117812066 /nfs/dbraw/zinc/81/20/66/1117812066.db2.gz FEFCHWOKPSKXFX-SNVBAGLBSA-N 1 2 257.711 3.507 20 30 CHEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185330539 1117812071 /nfs/dbraw/zinc/81/20/71/1117812071.db2.gz FEFCHWOKPSKXFX-SNVBAGLBSA-N 1 2 257.711 3.507 20 30 CHEDLO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336713284 1117910193 /nfs/dbraw/zinc/91/01/93/1117910193.db2.gz OLRBMPFUMOYFAE-LLVKDONJSA-N 1 2 293.208 3.553 20 30 CHEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336713284 1117910197 /nfs/dbraw/zinc/91/01/97/1117910197.db2.gz OLRBMPFUMOYFAE-LLVKDONJSA-N 1 2 293.208 3.553 20 30 CHEDLO CC(C)Oc1ccc2ccccc2c1C[N@H+](C)CCC#N ZINC000083217504 1117971443 /nfs/dbraw/zinc/97/14/43/1117971443.db2.gz VQJLCSWYPIJFQQ-UHFFFAOYSA-N 1 2 282.387 3.972 20 30 CHEDLO CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CCC#N ZINC000083217504 1117971446 /nfs/dbraw/zinc/97/14/46/1117971446.db2.gz VQJLCSWYPIJFQQ-UHFFFAOYSA-N 1 2 282.387 3.972 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)cc(C)n1 ZINC000339829438 1117981923 /nfs/dbraw/zinc/98/19/23/1117981923.db2.gz IIPWVZGCBXOOMM-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)cc(C)n1 ZINC000339829438 1117981926 /nfs/dbraw/zinc/98/19/26/1117981926.db2.gz IIPWVZGCBXOOMM-UHFFFAOYSA-N 1 2 288.416 3.648 20 30 CHEDLO CC(C)=CCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001258085732 1128751891 /nfs/dbraw/zinc/75/18/91/1128751891.db2.gz MJFLANIOHXBATO-MRXNPFEDSA-N 1 2 271.408 3.932 20 30 CHEDLO CC(C)=CCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258085732 1128751893 /nfs/dbraw/zinc/75/18/93/1128751893.db2.gz MJFLANIOHXBATO-MRXNPFEDSA-N 1 2 271.408 3.932 20 30 CHEDLO C=CCCCCCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001209432906 1118055011 /nfs/dbraw/zinc/05/50/11/1118055011.db2.gz MPXCHYKUHKFLEZ-HNNXBMFYSA-N 1 2 286.410 3.538 20 30 CHEDLO CC(C)[C@@H](C/[NH+]=C\c1ccccc1O)c1cccnc1 ZINC000255105743 1118207440 /nfs/dbraw/zinc/20/74/40/1118207440.db2.gz BPVPRKVISWZPAH-VXIUPONVSA-N 1 2 268.360 3.646 20 30 CHEDLO CNc1ccc(Nc2cccc(C(F)(F)F)c2C#N)c[nH+]1 ZINC001203458325 1118221421 /nfs/dbraw/zinc/22/14/21/1118221421.db2.gz KFQRIGAAKJKYMJ-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO C[C@@H]1CC(=O)C=C(Nc2cc[nH+]c(C(C)(C)C)c2)C1 ZINC001210767976 1118376604 /nfs/dbraw/zinc/37/66/04/1118376604.db2.gz AATOOPFLTARUOX-NSHDSACASA-N 1 2 258.365 3.674 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1F ZINC000616758887 1118404441 /nfs/dbraw/zinc/40/44/41/1118404441.db2.gz HUQLKDPBTGVTTO-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1F ZINC000616758887 1118404444 /nfs/dbraw/zinc/40/44/44/1118404444.db2.gz HUQLKDPBTGVTTO-KRWDZBQOSA-N 1 2 284.309 3.783 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001659832648 1118488144 /nfs/dbraw/zinc/48/81/44/1118488144.db2.gz OWGJISMTVCMSJW-MCIONIFRSA-N 1 2 287.831 3.619 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000926205570 1118731853 /nfs/dbraw/zinc/73/18/53/1118731853.db2.gz GBKQTJRYTNSNSP-MEDUHNTESA-N 1 2 291.345 3.666 20 30 CHEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccc(C#N)cc1N ZINC001213355599 1118755848 /nfs/dbraw/zinc/75/58/48/1118755848.db2.gz KIPGIABYFMLZEB-UHFFFAOYSA-N 1 2 280.375 3.786 20 30 CHEDLO C=CC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000121569431 1118768969 /nfs/dbraw/zinc/76/89/69/1118768969.db2.gz YWYBBDKRIZCHHW-UHFFFAOYSA-N 1 2 289.810 3.511 20 30 CHEDLO C=CC[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000121569431 1118768973 /nfs/dbraw/zinc/76/89/73/1118768973.db2.gz YWYBBDKRIZCHHW-UHFFFAOYSA-N 1 2 289.810 3.511 20 30 CHEDLO CC[N@@H+](Cc1ccccc1OC1CCCC1)C[C@@H](C)C#N ZINC000091982502 1118837638 /nfs/dbraw/zinc/83/76/38/1118837638.db2.gz ISZYHGFNIVTABW-HNNXBMFYSA-N 1 2 286.419 3.990 20 30 CHEDLO CC[N@H+](Cc1ccccc1OC1CCCC1)C[C@@H](C)C#N ZINC000091982502 1118837640 /nfs/dbraw/zinc/83/76/40/1118837640.db2.gz ISZYHGFNIVTABW-HNNXBMFYSA-N 1 2 286.419 3.990 20 30 CHEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000610989111 1118917933 /nfs/dbraw/zinc/91/79/33/1118917933.db2.gz FJNKPGRYBOKIPA-ZBFHGGJFSA-N 1 2 267.376 3.513 20 30 CHEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000610989111 1118917936 /nfs/dbraw/zinc/91/79/36/1118917936.db2.gz FJNKPGRYBOKIPA-ZBFHGGJFSA-N 1 2 267.376 3.513 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(C#N)cc1F ZINC000611589019 1119057267 /nfs/dbraw/zinc/05/72/67/1119057267.db2.gz JAILBFFVQBTINF-VIFPVBQESA-N 1 2 278.714 3.795 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCCOC1CCCCC1 ZINC000255522926 1119157412 /nfs/dbraw/zinc/15/74/12/1119157412.db2.gz TYCZKNYUFSMWGN-LGMDPLHJSA-N 1 2 261.365 3.551 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cc(F)c(F)c(F)c1 ZINC000181011261 1128828954 /nfs/dbraw/zinc/82/89/54/1128828954.db2.gz CWYFOIDCVVNVHI-UHFFFAOYSA-N 1 2 296.317 3.669 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cc(F)c(F)c(F)c1 ZINC000181011261 1128828957 /nfs/dbraw/zinc/82/89/57/1128828957.db2.gz CWYFOIDCVVNVHI-UHFFFAOYSA-N 1 2 296.317 3.669 20 30 CHEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1F ZINC000162235558 1119271916 /nfs/dbraw/zinc/27/19/16/1119271916.db2.gz YSTLUDFIYATCCD-UHFFFAOYSA-N 1 2 299.349 3.824 20 30 CHEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccccc1C#N ZINC000052073729 1119282092 /nfs/dbraw/zinc/28/20/92/1119282092.db2.gz CIKRBOXNBNHREQ-ZDUSSCGKSA-N 1 2 268.335 3.890 20 30 CHEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccccc1C#N ZINC000052073729 1119282093 /nfs/dbraw/zinc/28/20/93/1119282093.db2.gz CIKRBOXNBNHREQ-ZDUSSCGKSA-N 1 2 268.335 3.890 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000343161370 1119335265 /nfs/dbraw/zinc/33/52/65/1119335265.db2.gz NBLUUYWPSJOWLN-AWEZNQCLSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000343161370 1119335266 /nfs/dbraw/zinc/33/52/66/1119335266.db2.gz NBLUUYWPSJOWLN-AWEZNQCLSA-N 1 2 260.768 3.781 20 30 CHEDLO CC(C)[N@H+](Cc1ccco1)Cc1ccc(F)cc1C#N ZINC000343715621 1119492595 /nfs/dbraw/zinc/49/25/95/1119492595.db2.gz CQKVRGIWOOAPSD-UHFFFAOYSA-N 1 2 272.323 3.701 20 30 CHEDLO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(F)cc1C#N ZINC000343715621 1119492596 /nfs/dbraw/zinc/49/25/96/1119492596.db2.gz CQKVRGIWOOAPSD-UHFFFAOYSA-N 1 2 272.323 3.701 20 30 CHEDLO CC1(C)c2ccccc2C(=O)/C1=C\c1cccc2[nH+]ccn21 ZINC000255590060 1119522196 /nfs/dbraw/zinc/52/21/96/1119522196.db2.gz XDMAQWRUIWLEKE-FOWTUZBSSA-N 1 2 288.350 3.892 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCc1nccs1 ZINC000255712548 1119733042 /nfs/dbraw/zinc/73/30/42/1119733042.db2.gz HVIAZFUITDIZHG-BOPFTXTBSA-N 1 2 282.368 3.664 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000414125325 1119907319 /nfs/dbraw/zinc/90/73/19/1119907319.db2.gz CSWSBWABMCOBTC-BDJLRTHQSA-N 1 2 291.345 3.666 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccccc2C2CC2)c1 ZINC000613443293 1119925825 /nfs/dbraw/zinc/92/58/25/1119925825.db2.gz XDVHVLYAMJQKDC-UHFFFAOYSA-N 1 2 263.344 3.637 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nccs1 ZINC000414222598 1119946039 /nfs/dbraw/zinc/94/60/39/1119946039.db2.gz NBOROPCBDBHFRB-UWVGGRQHSA-N 1 2 275.352 3.566 20 30 CHEDLO C[C@H](Nc1cc2cc[nH]c2c[nH+]1)c1cccc(C#N)c1 ZINC001167709289 1120056954 /nfs/dbraw/zinc/05/69/54/1120056954.db2.gz WQEQHUKMHMICMZ-NSHDSACASA-N 1 2 262.316 3.608 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1cccc2cnccc12 ZINC000782903785 1120068275 /nfs/dbraw/zinc/06/82/75/1120068275.db2.gz IZLKISYZPZKYBX-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO C=CC[C@H](CC)[NH2+]Cc1cccc(Br)c1O ZINC000309489709 1120120382 /nfs/dbraw/zinc/12/03/82/1120120382.db2.gz WRPRQUQHMSZVMG-NSHDSACASA-N 1 2 284.197 3.599 20 30 CHEDLO Cc1ccccc1-c1cnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000542810465 1120164832 /nfs/dbraw/zinc/16/48/32/1120164832.db2.gz LREFBOOMGGNWOE-UHFFFAOYSA-N 1 2 295.386 3.776 20 30 CHEDLO CCc1nc(C[N@H+](C)Cc2ccc(C#N)cc2C)cs1 ZINC000328276149 1120170162 /nfs/dbraw/zinc/17/01/62/1120170162.db2.gz XYCUNCSOLCXRHZ-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO CCc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cs1 ZINC000328276149 1120170164 /nfs/dbraw/zinc/17/01/64/1120170164.db2.gz XYCUNCSOLCXRHZ-UHFFFAOYSA-N 1 2 285.416 3.518 20 30 CHEDLO Cc1cc(C)cc([C@@H]([NH2+]CC(C)(C)C#N)c2cccnc2)c1 ZINC000926872799 1120171809 /nfs/dbraw/zinc/17/18/09/1120171809.db2.gz AYNAHZAKUQYHCI-SFHVURJKSA-N 1 2 293.414 3.927 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\C(=O)c2ccccc2[C@@H]1C ZINC000901506409 1128896418 /nfs/dbraw/zinc/89/64/18/1128896418.db2.gz LWVVPRMVXQBKPK-LUMBYOQCSA-N 1 2 266.344 3.847 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cs1 ZINC000901514365 1128904317 /nfs/dbraw/zinc/90/43/17/1128904317.db2.gz GFUQTLTWGLXGQD-SNAWJCMRSA-N 1 2 260.362 3.730 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1cccc(Br)c1 ZINC000428845894 1120375117 /nfs/dbraw/zinc/37/51/17/1120375117.db2.gz OEVTUZVYZBGUOD-LBPRGKRZSA-N 1 2 293.208 3.912 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1cccc(Br)c1 ZINC000428845894 1120375119 /nfs/dbraw/zinc/37/51/19/1120375119.db2.gz OEVTUZVYZBGUOD-LBPRGKRZSA-N 1 2 293.208 3.912 20 30 CHEDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)s2)cc1 ZINC000629711295 1128929012 /nfs/dbraw/zinc/92/90/12/1128929012.db2.gz BOUDEDAPPXBYRE-MRXNPFEDSA-N 1 2 296.395 3.623 20 30 CHEDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc(C#N)s2)cc1 ZINC000629711295 1128929017 /nfs/dbraw/zinc/92/90/17/1128929017.db2.gz BOUDEDAPPXBYRE-MRXNPFEDSA-N 1 2 296.395 3.623 20 30 CHEDLO CCc1cc(N(C)CC(C)(C)C#N)c2ccccc2[nH+]1 ZINC000432144677 1120653567 /nfs/dbraw/zinc/65/35/67/1120653567.db2.gz JSUIGMNRCSFADG-UHFFFAOYSA-N 1 2 267.376 3.783 20 30 CHEDLO N#Cc1cc(NCc2cc(-n3cc[nH+]c3)cs2)ccc1F ZINC000432412963 1121056482 /nfs/dbraw/zinc/05/64/82/1121056482.db2.gz JUHMKGCEWYKSOU-UHFFFAOYSA-N 1 2 298.346 3.557 20 30 CHEDLO CC(C)c1ccc(Nc2ccc(N(C)C)[nH+]c2)c(C#N)c1 ZINC001175343784 1121274334 /nfs/dbraw/zinc/27/43/34/1121274334.db2.gz ODVRNDWXEIOKII-UHFFFAOYSA-N 1 2 280.375 3.886 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1 ZINC001175349795 1121291813 /nfs/dbraw/zinc/29/18/13/1121291813.db2.gz DULDPGZQJFFDMB-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#Cc1ccc(Cl)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175353036 1121293626 /nfs/dbraw/zinc/29/36/26/1121293626.db2.gz XJPVNYNCOOOKHQ-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1C#N ZINC001175559881 1121387202 /nfs/dbraw/zinc/38/72/02/1121387202.db2.gz INGHLEJQDKOTOM-QGZVFWFLSA-N 1 2 286.325 3.806 20 30 CHEDLO C=C(Cl)C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001176051065 1121540371 /nfs/dbraw/zinc/54/03/71/1121540371.db2.gz BBHCBSAVPIFFAW-UHFFFAOYSA-N 1 2 263.768 3.556 20 30 CHEDLO C=C(Cl)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001176051065 1121540373 /nfs/dbraw/zinc/54/03/73/1121540373.db2.gz BBHCBSAVPIFFAW-UHFFFAOYSA-N 1 2 263.768 3.556 20 30 CHEDLO COc1ccccc1-c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509776720 1121544986 /nfs/dbraw/zinc/54/49/86/1121544986.db2.gz YSPPKVSZYXDVNI-OAHLLOKOSA-N 1 2 294.398 3.954 20 30 CHEDLO COc1ccccc1-c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509776720 1121544988 /nfs/dbraw/zinc/54/49/88/1121544988.db2.gz YSPPKVSZYXDVNI-OAHLLOKOSA-N 1 2 294.398 3.954 20 30 CHEDLO COc1cc[nH+]cc1Nc1sc2ccccc2c1C#N ZINC001176119047 1121556635 /nfs/dbraw/zinc/55/66/35/1121556635.db2.gz UAKPHTYLQQOAHO-UHFFFAOYSA-N 1 2 281.340 3.920 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4ccc(F)cc4C3=O)n2c1 ZINC000178768442 1121598912 /nfs/dbraw/zinc/59/89/12/1121598912.db2.gz BFUFFFSLWCUKGW-NTUHNPAUSA-N 1 2 292.313 3.604 20 30 CHEDLO N#Cc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC001176615273 1121660390 /nfs/dbraw/zinc/66/03/90/1121660390.db2.gz BUCUYNFTVDSDCI-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccc[nH+]c2N2CCCC2)s1 ZINC001176743379 1121686613 /nfs/dbraw/zinc/68/66/13/1121686613.db2.gz JBPLETLWWQVAEY-UHFFFAOYSA-N 1 2 284.388 3.667 20 30 CHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC001176749124 1121687105 /nfs/dbraw/zinc/68/71/05/1121687105.db2.gz WJFPVHPYWRDANR-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000397597038 1121689539 /nfs/dbraw/zinc/68/95/39/1121689539.db2.gz DTRILZWWYQMYOZ-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000397597038 1121689542 /nfs/dbraw/zinc/68/95/42/1121689542.db2.gz DTRILZWWYQMYOZ-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO CCCCCCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727494721 1121721648 /nfs/dbraw/zinc/72/16/48/1121721648.db2.gz SVOGLPCCJDFGKT-HNNXBMFYSA-N 1 2 293.455 3.775 20 30 CHEDLO Cc1c(Cl)ccc(C[NH2+]CC2(C#N)CC2)c1Cl ZINC000894205943 1121744686 /nfs/dbraw/zinc/74/46/86/1121744686.db2.gz ZPAYOMZAWXWKIN-UHFFFAOYSA-N 1 2 269.175 3.695 20 30 CHEDLO C[C@@H]1C[C@@H]1c1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730147764 1121795108 /nfs/dbraw/zinc/79/51/08/1121795108.db2.gz JSHTXYXIQDVTPY-DOMZBBRYSA-N 1 2 291.354 3.819 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730663153 1121818809 /nfs/dbraw/zinc/81/88/09/1121818809.db2.gz ABTFNDYNCZOTAZ-LLVKDONJSA-N 1 2 284.172 3.524 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730663153 1121818820 /nfs/dbraw/zinc/81/88/20/1121818820.db2.gz ABTFNDYNCZOTAZ-LLVKDONJSA-N 1 2 284.172 3.524 20 30 CHEDLO Oc1cccc(/C=[NH+]/CCCc2c[nH]c3ccccc23)c1O ZINC000730732919 1121823074 /nfs/dbraw/zinc/82/30/74/1121823074.db2.gz REOXRBYZTNCMBX-YBFXNURJSA-N 1 2 294.354 3.631 20 30 CHEDLO Oc1cccc(/C=[NH+]\CCCc2c[nH]c3ccccc23)c1O ZINC000730732918 1121823491 /nfs/dbraw/zinc/82/34/91/1121823491.db2.gz REOXRBYZTNCMBX-ODLFYWEKSA-N 1 2 294.354 3.631 20 30 CHEDLO N#Cc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cs1 ZINC001181213849 1122044829 /nfs/dbraw/zinc/04/48/29/1122044829.db2.gz PSLVBUGMKJVKSE-INIZCTEOSA-N 1 2 286.375 3.690 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cs1 ZINC001181213849 1122044835 /nfs/dbraw/zinc/04/48/35/1122044835.db2.gz PSLVBUGMKJVKSE-INIZCTEOSA-N 1 2 286.375 3.690 20 30 CHEDLO N#Cc1cccc(C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000016418621 1122120679 /nfs/dbraw/zinc/12/06/79/1122120679.db2.gz OQKVJMHPIPGKQU-UHFFFAOYSA-N 1 2 292.338 3.947 20 30 CHEDLO CCNc1ccccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC001182594642 1122178274 /nfs/dbraw/zinc/17/82/74/1122178274.db2.gz KEQQLPDKZWLJQH-UHFFFAOYSA-N 1 2 277.371 3.506 20 30 CHEDLO CCNc1ccccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC001182594642 1122178276 /nfs/dbraw/zinc/17/82/76/1122178276.db2.gz KEQQLPDKZWLJQH-UHFFFAOYSA-N 1 2 277.371 3.506 20 30 CHEDLO CC(=NOC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774603424 1122213044 /nfs/dbraw/zinc/21/30/44/1122213044.db2.gz SMLBCRKGPKMVQY-UHFFFAOYSA-N 1 2 269.348 3.556 20 30 CHEDLO N#CCc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1F ZINC001185041989 1122313956 /nfs/dbraw/zinc/31/39/56/1122313956.db2.gz AMHNOYYMMFNHCW-UHFFFAOYSA-N 1 2 296.349 3.631 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434615385 1122383520 /nfs/dbraw/zinc/38/35/20/1122383520.db2.gz MWCMQUWHLMUHJC-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434615385 1122383524 /nfs/dbraw/zinc/38/35/24/1122383524.db2.gz MWCMQUWHLMUHJC-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434615384 1122384373 /nfs/dbraw/zinc/38/43/73/1122384373.db2.gz MWCMQUWHLMUHJC-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434615384 1122384377 /nfs/dbraw/zinc/38/43/77/1122384377.db2.gz MWCMQUWHLMUHJC-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1Br ZINC000775179154 1122467366 /nfs/dbraw/zinc/46/73/66/1122467366.db2.gz LICNMQBLARKRPR-VIFPVBQESA-N 1 2 286.600 3.556 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1Br ZINC000775179154 1122467367 /nfs/dbraw/zinc/46/73/67/1122467367.db2.gz LICNMQBLARKRPR-VIFPVBQESA-N 1 2 286.600 3.556 20 30 CHEDLO CCCCCCCCNC(=O)Nc1cccc2[nH+]ccn21 ZINC001191046822 1122570058 /nfs/dbraw/zinc/57/00/58/1122570058.db2.gz JTLGKNXAZUQESO-UHFFFAOYSA-N 1 2 288.395 3.816 20 30 CHEDLO C[C@H](C[N@H+](CCC#N)Cc1ccco1)c1ccc(F)cc1 ZINC000437595486 1122642413 /nfs/dbraw/zinc/64/24/13/1122642413.db2.gz YVMHWANJMDYWFR-CQSZACIVSA-N 1 2 286.350 3.938 20 30 CHEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccc(F)cc1 ZINC000437595486 1122642414 /nfs/dbraw/zinc/64/24/14/1122642414.db2.gz YVMHWANJMDYWFR-CQSZACIVSA-N 1 2 286.350 3.938 20 30 CHEDLO C=CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054174535 1122766511 /nfs/dbraw/zinc/76/65/11/1122766511.db2.gz MDABZWBFGABSKF-UHFFFAOYSA-N 1 2 288.372 3.845 20 30 CHEDLO C=CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054174535 1122766514 /nfs/dbraw/zinc/76/65/14/1122766514.db2.gz MDABZWBFGABSKF-UHFFFAOYSA-N 1 2 288.372 3.845 20 30 CHEDLO C#CC[N@H+](Cc1csc(Cc2ccccc2)n1)C(C)(C)C ZINC001197929497 1122974224 /nfs/dbraw/zinc/97/42/24/1122974224.db2.gz INHRJVXJMDYLDS-UHFFFAOYSA-N 1 2 298.455 3.968 20 30 CHEDLO C#CC[N@@H+](Cc1csc(Cc2ccccc2)n1)C(C)(C)C ZINC001197929497 1122974229 /nfs/dbraw/zinc/97/42/29/1122974229.db2.gz INHRJVXJMDYLDS-UHFFFAOYSA-N 1 2 298.455 3.968 20 30 CHEDLO N#Cc1ccc(C2=CC[N@H+](CC=C(Cl)Cl)CC2)cc1 ZINC000851886388 1123385795 /nfs/dbraw/zinc/38/57/95/1123385795.db2.gz QSQVXQAHYAVFFC-UHFFFAOYSA-N 1 2 293.197 3.966 20 30 CHEDLO C=CC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1cccs1 ZINC000051262277 1123412142 /nfs/dbraw/zinc/41/21/42/1123412142.db2.gz DLHLKPYPPHBVNY-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO C=CC[N@H+](Cc1cn2c(cccc2C)n1)Cc1cccs1 ZINC000051262277 1123412146 /nfs/dbraw/zinc/41/21/46/1123412146.db2.gz DLHLKPYPPHBVNY-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC[C@@H](SC)C1 ZINC000853386224 1123438842 /nfs/dbraw/zinc/43/88/42/1123438842.db2.gz YLTWDPPNBYCUSA-ZIAGYGMSSA-N 1 2 290.432 3.570 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)sc1C)Cc1ccccc1 ZINC000443676394 1123469638 /nfs/dbraw/zinc/46/96/38/1123469638.db2.gz VXIHHYYALUFNDC-UHFFFAOYSA-N 1 2 272.417 3.948 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)sc1C)Cc1ccccc1 ZINC000443676394 1123469640 /nfs/dbraw/zinc/46/96/40/1123469640.db2.gz VXIHHYYALUFNDC-UHFFFAOYSA-N 1 2 272.417 3.948 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000339010944 1123636152 /nfs/dbraw/zinc/63/61/52/1123636152.db2.gz NMZACOJNZCVIRT-UHFFFAOYSA-N 1 2 285.435 3.893 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000339010944 1123636153 /nfs/dbraw/zinc/63/61/53/1123636153.db2.gz NMZACOJNZCVIRT-UHFFFAOYSA-N 1 2 285.435 3.893 20 30 CHEDLO CC(C)(O)C(C)(C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000840710230 1123716699 /nfs/dbraw/zinc/71/66/99/1123716699.db2.gz PHXPEIVBDAWOOM-ODLFYWEKSA-N 1 2 285.387 3.761 20 30 CHEDLO Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)c(C)[nH+]1 ZINC000119066742 1123826654 /nfs/dbraw/zinc/82/66/54/1123826654.db2.gz UHHLLGGRUUTLBI-ZDUSSCGKSA-N 1 2 281.359 3.601 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)s1 ZINC000119125195 1123832510 /nfs/dbraw/zinc/83/25/10/1123832510.db2.gz GPTVHFZXDQRBCY-SOFGYWHQSA-N 1 2 282.368 3.854 20 30 CHEDLO Cc1ccccc1CC(N)=[NH+]O[C@@H](C)c1cccc(C#N)c1 ZINC000794719153 1123943353 /nfs/dbraw/zinc/94/33/53/1123943353.db2.gz AXDHRIKGKAKFPS-AWEZNQCLSA-N 1 2 293.370 3.669 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000794744447 1123944034 /nfs/dbraw/zinc/94/40/34/1123944034.db2.gz IYAVVNNLYNYGJY-OAHLLOKOSA-N 1 2 260.768 3.729 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000794744447 1123944036 /nfs/dbraw/zinc/94/40/36/1123944036.db2.gz IYAVVNNLYNYGJY-OAHLLOKOSA-N 1 2 260.768 3.729 20 30 CHEDLO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)CC1(F)F ZINC000444692636 1124055262 /nfs/dbraw/zinc/05/52/62/1124055262.db2.gz FRNMQOQRTYRXIK-GFCCVEGCSA-N 1 2 258.356 3.684 20 30 CHEDLO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)CC1(F)F ZINC000444692636 1124055268 /nfs/dbraw/zinc/05/52/68/1124055268.db2.gz FRNMQOQRTYRXIK-GFCCVEGCSA-N 1 2 258.356 3.684 20 30 CHEDLO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866248219 1124042029 /nfs/dbraw/zinc/04/20/29/1124042029.db2.gz BHUFQUKUECFFHR-ACJLOTCBSA-N 1 2 292.382 3.910 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866249408 1124042036 /nfs/dbraw/zinc/04/20/36/1124042036.db2.gz JXZTWIIGQCQPIU-PIGZYNQJSA-N 1 2 296.345 3.741 20 30 CHEDLO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866270580 1124044253 /nfs/dbraw/zinc/04/42/53/1124044253.db2.gz ZFPWTKYJXDCDNO-FPMFFAJLSA-N 1 2 290.432 3.589 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1cccc(C#N)c1 ZINC000866276738 1124046093 /nfs/dbraw/zinc/04/60/93/1124046093.db2.gz URQPFNNMGUUQCO-ULFGMLNVSA-N 1 2 296.345 3.681 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1cccc(C#N)c1 ZINC000866276736 1124046231 /nfs/dbraw/zinc/04/62/31/1124046231.db2.gz URQPFNNMGUUQCO-IWEFOYFVSA-N 1 2 296.345 3.681 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cccc(C#N)c1O ZINC000866316866 1124051964 /nfs/dbraw/zinc/05/19/64/1124051964.db2.gz VUHQTFXJWHVDDA-CYBMUJFWSA-N 1 2 295.386 3.811 20 30 CHEDLO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866339490 1124055105 /nfs/dbraw/zinc/05/51/05/1124055105.db2.gz KSJQXUUIDWWYDO-GXSJLCMTSA-N 1 2 286.297 3.645 20 30 CHEDLO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1cccc(C#N)c1O ZINC000866364496 1124057550 /nfs/dbraw/zinc/05/75/50/1124057550.db2.gz CELRRMKNRFIEET-YPMHNXCESA-N 1 2 294.345 3.740 20 30 CHEDLO C=CC[C@@H]1[N@H+](Cc2nnc(OCC)s2)CCCC1(C)C ZINC000444774246 1124062120 /nfs/dbraw/zinc/06/21/20/1124062120.db2.gz HYTIXOTYCFRWAH-LBPRGKRZSA-N 1 2 295.452 3.504 20 30 CHEDLO C=CC[C@@H]1[N@@H+](Cc2nnc(OCC)s2)CCCC1(C)C ZINC000444774246 1124062122 /nfs/dbraw/zinc/06/21/22/1124062122.db2.gz HYTIXOTYCFRWAH-LBPRGKRZSA-N 1 2 295.452 3.504 20 30 CHEDLO CCN(CC)c1ccc(NC2CCC(C)(C#N)CC2)c[nH+]1 ZINC000449212783 1124670576 /nfs/dbraw/zinc/67/05/76/1124670576.db2.gz UCLMTYLMNVDDTK-UHFFFAOYSA-N 1 2 286.423 3.812 20 30 CHEDLO N#Cc1ccc(/C=C/c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001239296849 1131312231 /nfs/dbraw/zinc/31/22/31/1131312231.db2.gz JRFPSGVWIYUDHP-MDZDMXLPSA-N 1 2 285.350 3.973 20 30 CHEDLO Nc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000821028329 1131315848 /nfs/dbraw/zinc/31/58/48/1131315848.db2.gz RGWGHJALEVNQCS-XQRVVYSFSA-N 1 2 292.260 3.579 20 30 CHEDLO Nc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000821028326 1131316313 /nfs/dbraw/zinc/31/63/13/1131316313.db2.gz RGWGHJALEVNQCS-GQCTYLIASA-N 1 2 292.260 3.579 20 30 CHEDLO CCCCCCCCCOC(=O)NCc1ccc(N)[nH+]c1 ZINC001239322103 1131317904 /nfs/dbraw/zinc/31/79/04/1131317904.db2.gz VUSUTHBOAGBJOK-UHFFFAOYSA-N 1 2 293.411 3.641 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C2CC2)s1 ZINC000450300782 1124972329 /nfs/dbraw/zinc/97/23/29/1124972329.db2.gz SWHYZTHECMMSLR-UHFFFAOYSA-N 1 2 299.443 3.646 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C2CC2)s1 ZINC000450300782 1124972334 /nfs/dbraw/zinc/97/23/34/1124972334.db2.gz SWHYZTHECMMSLR-UHFFFAOYSA-N 1 2 299.443 3.646 20 30 CHEDLO C=C(C)C(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000821439552 1131330267 /nfs/dbraw/zinc/33/02/67/1131330267.db2.gz IWNZHKZJRWKSKW-UHFFFAOYSA-N 1 2 284.359 3.518 20 30 CHEDLO COc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(C#N)c1 ZINC001212781871 1125097933 /nfs/dbraw/zinc/09/79/33/1125097933.db2.gz OOMGXNRXVKRWHB-UHFFFAOYSA-N 1 2 298.733 3.612 20 30 CHEDLO CC1(C)C[C@@H](C[N@H+](CCC#N)Cc2ccco2)C(C)(C)O1 ZINC000878159004 1125125764 /nfs/dbraw/zinc/12/57/64/1125125764.db2.gz APEFZIXOWLOBGP-AWEZNQCLSA-N 1 2 290.407 3.589 20 30 CHEDLO CC1(C)C[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C(C)(C)O1 ZINC000878159004 1125125766 /nfs/dbraw/zinc/12/57/66/1125125766.db2.gz APEFZIXOWLOBGP-AWEZNQCLSA-N 1 2 290.407 3.589 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451656032 1125173900 /nfs/dbraw/zinc/17/39/00/1125173900.db2.gz SAYZMZWRVMCMHV-OAHLLOKOSA-N 1 2 292.835 3.539 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451656032 1125173907 /nfs/dbraw/zinc/17/39/07/1125173907.db2.gz SAYZMZWRVMCMHV-OAHLLOKOSA-N 1 2 292.835 3.539 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000508630714 1125276007 /nfs/dbraw/zinc/27/60/07/1125276007.db2.gz GFWFDICTDJRITC-UHFFFAOYSA-N 1 2 269.335 3.849 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000508630714 1125276012 /nfs/dbraw/zinc/27/60/12/1125276012.db2.gz GFWFDICTDJRITC-UHFFFAOYSA-N 1 2 269.335 3.849 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000168922280 1125355724 /nfs/dbraw/zinc/35/57/24/1125355724.db2.gz RLMHZBIZEZQPRE-UHFFFAOYSA-N 1 2 262.740 3.726 20 30 CHEDLO CCSCc1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC000883377987 1125404657 /nfs/dbraw/zinc/40/46/57/1125404657.db2.gz WKMQLIBKCZUCOW-UHFFFAOYSA-N 1 2 289.429 3.880 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000133154739 1125434302 /nfs/dbraw/zinc/43/43/02/1125434302.db2.gz QQMJRMZVXDGPMW-MDZDMXLPSA-N 1 2 262.312 3.539 20 30 CHEDLO Cc1ccc2c(Nc3ccc(O)cc3C#N)cccc2[nH+]1 ZINC001212797853 1125448694 /nfs/dbraw/zinc/44/86/94/1125448694.db2.gz NYXCGUZKTRPESX-UHFFFAOYSA-N 1 2 275.311 3.864 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)CC1 ZINC000639484001 1129318085 /nfs/dbraw/zinc/31/80/85/1129318085.db2.gz XZPDUCWNTKXFHJ-UHFFFAOYSA-N 1 2 284.359 3.502 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(SC(F)F)cc1 ZINC000734980970 1129327876 /nfs/dbraw/zinc/32/78/76/1129327876.db2.gz NKUNPVDAHLQCDP-AATRIKPKSA-N 1 2 280.299 3.621 20 30 CHEDLO Cc1cccc([C@H](C)C/[NH+]=C/c2ccccc2O)c1 ZINC000741165510 1129430764 /nfs/dbraw/zinc/43/07/64/1129430764.db2.gz NDLCEZNTKPUVDN-CRRKTRLDSA-N 1 2 253.345 3.923 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2cccc(C)c2)c1 ZINC000741165065 1129431108 /nfs/dbraw/zinc/43/11/08/1129431108.db2.gz FTZVGRHQEIOXFY-ONDHQXCVSA-N 1 2 283.371 3.932 20 30 CHEDLO C=C(C)CNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001155655058 1129581074 /nfs/dbraw/zinc/58/10/74/1129581074.db2.gz NDWPDSXXZSLSSO-UHFFFAOYSA-N 1 2 259.740 3.785 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1CC(C)C ZINC000648000089 1129591397 /nfs/dbraw/zinc/59/13/97/1129591397.db2.gz QYGNGXTXDOMRMB-UHFFFAOYSA-N 1 2 289.448 3.789 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1CC(C)C ZINC000648000089 1129591401 /nfs/dbraw/zinc/59/14/01/1129591401.db2.gz QYGNGXTXDOMRMB-UHFFFAOYSA-N 1 2 289.448 3.789 20 30 CHEDLO C#C[C@](C)(CC)Nc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001169701095 1129748807 /nfs/dbraw/zinc/74/88/07/1129748807.db2.gz AVAMRMWTQOISSD-CYBMUJFWSA-N 1 2 281.281 3.796 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC000768724483 1129870413 /nfs/dbraw/zinc/87/04/13/1129870413.db2.gz DHYJAVFLWXWNHL-UHFFFAOYSA-N 1 2 289.423 3.631 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(OC(C)(C)C)n1 ZINC000768724483 1129870417 /nfs/dbraw/zinc/87/04/17/1129870417.db2.gz DHYJAVFLWXWNHL-UHFFFAOYSA-N 1 2 289.423 3.631 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000768878242 1129878980 /nfs/dbraw/zinc/87/89/80/1129878980.db2.gz QEOLJCMXVGOPAO-JTQLQIEISA-N 1 2 288.338 3.890 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000768878242 1129878987 /nfs/dbraw/zinc/87/89/87/1129878987.db2.gz QEOLJCMXVGOPAO-JTQLQIEISA-N 1 2 288.338 3.890 20 30 CHEDLO O=C1c2cccc(Cl)c2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769609133 1129919339 /nfs/dbraw/zinc/91/93/39/1129919339.db2.gz XEYPYSYITPANLT-PKNBQFBNSA-N 1 2 294.741 3.810 20 30 CHEDLO Cc1ccc(C)c(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901429892 1129924108 /nfs/dbraw/zinc/92/41/08/1129924108.db2.gz FHWAPGSMLIXLGU-FPLPWBNLSA-N 1 2 268.360 3.977 20 30 CHEDLO COc1ccc2c(c1)CC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901428038 1129924562 /nfs/dbraw/zinc/92/45/62/1129924562.db2.gz UMTJJGYHDSLZAA-RIYZIHGNSA-N 1 2 296.370 3.685 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)c(C)cc1C ZINC000901430435 1129924581 /nfs/dbraw/zinc/92/45/81/1129924581.db2.gz KPFVKICKTFUULP-SREVYHEPSA-N 1 2 268.360 3.724 20 30 CHEDLO N#CCC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000801538571 1129925664 /nfs/dbraw/zinc/92/56/64/1129925664.db2.gz JLRYMEUEXGBDKE-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CCOc1cccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901466830 1129927726 /nfs/dbraw/zinc/92/77/26/1129927726.db2.gz BJYHMBFXPXQZPH-CMDGGOBGSA-N 1 2 284.359 3.759 20 30 CHEDLO Cc1ccc2c(c1C)C(=O)/C(=C/c1c[nH+]cn1C(C)C)CO2 ZINC000901477123 1129928534 /nfs/dbraw/zinc/92/85/34/1129928534.db2.gz HAZSUHKYCPVTOV-VGOFMYFVSA-N 1 2 296.370 3.740 20 30 CHEDLO COc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)CC2 ZINC000901478966 1129929153 /nfs/dbraw/zinc/92/91/53/1129929153.db2.gz YKBRGOHICWRPAA-RIYZIHGNSA-N 1 2 296.370 3.685 20 30 CHEDLO CCSc1ccc(C(=O)/C=C/c2c[nH+]cn2CC)cc1 ZINC000901486567 1129929445 /nfs/dbraw/zinc/92/94/45/1129929445.db2.gz LWTFFALJMUMLLO-JXMROGBWSA-N 1 2 286.400 3.911 20 30 CHEDLO Cc1[nH]c(/C=C2/CCOc3c(C)cc(C)cc3C2=O)[nH+]c1C ZINC000901486084 1129929467 /nfs/dbraw/zinc/92/94/67/1129929467.db2.gz WIHMPSURTKFRRI-ZROIWOOFSA-N 1 2 296.370 3.692 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000901487836 1129929476 /nfs/dbraw/zinc/92/94/76/1129929476.db2.gz DHUCBNDCFAGTLI-DHZHZOJOSA-N 1 2 298.386 3.976 20 30 CHEDLO Cc1[nH]c(/C=C2/CCCc3cc(C#N)ccc3C2=O)[nH+]c1C ZINC000901523037 1129933033 /nfs/dbraw/zinc/93/30/33/1129933033.db2.gz BMHCWNQYEQDNJF-DHDCSXOGSA-N 1 2 291.354 3.501 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(Cl)s1)C1CCCCC1 ZINC000770631829 1129953080 /nfs/dbraw/zinc/95/30/80/1129953080.db2.gz IOZHZNQMVCGQJY-UHFFFAOYSA-N 1 2 268.813 3.564 20 30 CHEDLO C#CC[N@H+](Cc1ncc(Cl)s1)C1CCCCC1 ZINC000770631829 1129953083 /nfs/dbraw/zinc/95/30/83/1129953083.db2.gz IOZHZNQMVCGQJY-UHFFFAOYSA-N 1 2 268.813 3.564 20 30 CHEDLO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(Cl)c1 ZINC000903034957 1130102956 /nfs/dbraw/zinc/10/29/56/1130102956.db2.gz HAUPJSHXNPQVBO-LLVKDONJSA-N 1 2 278.783 3.693 20 30 CHEDLO C[C@@H]([NH2+]C1(c2ccccc2Cl)CC1)c1cc(C#N)ccn1 ZINC000903034940 1130103167 /nfs/dbraw/zinc/10/31/67/1130103167.db2.gz GTVJIUBEPXPTSM-GFCCVEGCSA-N 1 2 297.789 3.947 20 30 CHEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1F ZINC000903107060 1130113655 /nfs/dbraw/zinc/11/36/55/1130113655.db2.gz ZPOHCCAHYPXAPH-LBPRGKRZSA-N 1 2 266.747 3.824 20 30 CHEDLO Cc1ccc2cc([C@@H](C)[NH2+]Cc3nc(C#N)cs3)oc2c1 ZINC000903263297 1130139307 /nfs/dbraw/zinc/13/93/07/1130139307.db2.gz LPBKPKVABAEKDI-LLVKDONJSA-N 1 2 297.383 3.920 20 30 CHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)on2)c1 ZINC000788642017 1130198624 /nfs/dbraw/zinc/19/86/24/1130198624.db2.gz GQYZPQJBAXYRBS-HIFRSBDPSA-N 1 2 299.374 3.515 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(F)cc3F)n21 ZINC000748997190 1130258727 /nfs/dbraw/zinc/25/87/27/1130258727.db2.gz AQKFDMILKRIQLM-SOFGYWHQSA-N 1 2 298.292 3.817 20 30 CHEDLO CCC#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000677047492 1130284604 /nfs/dbraw/zinc/28/46/04/1130284604.db2.gz CDNDGZCBINEGJE-GFCCVEGCSA-N 1 2 258.390 3.530 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000677047492 1130284609 /nfs/dbraw/zinc/28/46/09/1130284609.db2.gz CDNDGZCBINEGJE-GFCCVEGCSA-N 1 2 258.390 3.530 20 30 CHEDLO CCC(=[NH+]Nc1ncccc1C)c1ccc(N(C)C)cc1 ZINC000790184712 1130299492 /nfs/dbraw/zinc/29/94/92/1130299492.db2.gz AHFOZZKVMNRHAB-UHFFFAOYSA-N 1 2 282.391 3.682 20 30 CHEDLO N#CCOc1ccccc1Nc1cccc2cc[nH+]cc21 ZINC001212600897 1130466525 /nfs/dbraw/zinc/46/65/25/1130466525.db2.gz RNMCHGFOTSJLQC-UHFFFAOYSA-N 1 2 275.311 3.881 20 30 CHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(F)cc1 ZINC000792632062 1130482060 /nfs/dbraw/zinc/48/20/60/1130482060.db2.gz QYLKRKXCUJTRHF-UHFFFAOYSA-N 1 2 283.350 3.629 20 30 CHEDLO CC[C@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170368836 1130485315 /nfs/dbraw/zinc/48/53/15/1130485315.db2.gz QRKXDQNXXGINMY-LXPRWKDFSA-N 1 2 281.403 3.672 20 30 CHEDLO C[C@@H](N[NH+]=Cc1ccc(N2CCCCC2)o1)C(C)(C)C ZINC000793111558 1130519497 /nfs/dbraw/zinc/51/94/97/1130519497.db2.gz JDUSFYUUZJYTQS-CYBMUJFWSA-N 1 2 277.412 3.628 20 30 CHEDLO N#CCC1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000811488774 1130613530 /nfs/dbraw/zinc/61/35/30/1130613530.db2.gz KPSIAAYQZMTUQV-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO C#CC[N@@H+](CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000758710870 1130621631 /nfs/dbraw/zinc/62/16/31/1130621631.db2.gz DVIRHJJFNJGTRX-UHFFFAOYSA-N 1 2 288.778 3.759 20 30 CHEDLO C#CC[N@H+](CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000758710870 1130621635 /nfs/dbraw/zinc/62/16/35/1130621635.db2.gz DVIRHJJFNJGTRX-UHFFFAOYSA-N 1 2 288.778 3.759 20 30 CHEDLO CC(C)c1[nH+]c(C=NOC/C=C\Cl)c2ccccn21 ZINC000811671718 1130635835 /nfs/dbraw/zinc/63/58/35/1130635835.db2.gz KDRQLOKNKCYQMS-DUBOVKANSA-N 1 2 277.755 3.561 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000759332410 1130652181 /nfs/dbraw/zinc/65/21/81/1130652181.db2.gz LLSXOLXRTWZZNU-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000759332410 1130652182 /nfs/dbraw/zinc/65/21/82/1130652182.db2.gz LLSXOLXRTWZZNU-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C=C(Br)C[N@@H+](C)Cc1cc(C)ccc1C ZINC000759626551 1130666294 /nfs/dbraw/zinc/66/62/94/1130666294.db2.gz BNWCGQPPFRJDDY-UHFFFAOYSA-N 1 2 268.198 3.644 20 30 CHEDLO C=C(Br)C[N@H+](C)Cc1cc(C)ccc1C ZINC000759626551 1130666296 /nfs/dbraw/zinc/66/62/96/1130666296.db2.gz BNWCGQPPFRJDDY-UHFFFAOYSA-N 1 2 268.198 3.644 20 30 CHEDLO C#CCCCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000780452056 1130680795 /nfs/dbraw/zinc/68/07/95/1130680795.db2.gz ZFORQMWLBMJPRU-UHFFFAOYSA-N 1 2 281.359 3.599 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)nc1 ZINC000780555129 1130684000 /nfs/dbraw/zinc/68/40/00/1130684000.db2.gz OTFKIYZKCZQETN-UHFFFAOYSA-N 1 2 292.169 3.550 20 30 CHEDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000781423004 1130716158 /nfs/dbraw/zinc/71/61/58/1130716158.db2.gz SHHBOMBYMYLPSE-LBPRGKRZSA-N 1 2 283.350 3.936 20 30 CHEDLO CC[C@@H](C#N)c1ccc(-c2cc[nH+]c(NC)c2)cc1 ZINC001244974159 1130742405 /nfs/dbraw/zinc/74/24/05/1130742405.db2.gz YHZAYLSMEQFYNH-LBPRGKRZSA-N 1 2 251.333 3.807 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(O)cc1 ZINC000783696275 1130848323 /nfs/dbraw/zinc/84/83/23/1130848323.db2.gz GZBZVGDXFPBFQI-WAYWQWQTSA-N 1 2 296.351 3.536 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1cc(F)c(N)c(F)c1 ZINC000814790303 1130910747 /nfs/dbraw/zinc/91/07/47/1130910747.db2.gz RNPQSZLKLMVRPU-UHFFFAOYSA-N 1 2 279.265 3.522 20 30 CHEDLO N#CC1(c2ccc(-c3ccc(N)[nH+]c3)cc2)CCCC1 ZINC001236313364 1130912092 /nfs/dbraw/zinc/91/20/92/1130912092.db2.gz PEYRHFNGDMJJBC-UHFFFAOYSA-N 1 2 263.344 3.666 20 30 CHEDLO CCC(=[NH+]Nc1cc(F)cc(F)c1)c1cccc(N)c1 ZINC000814813067 1130915434 /nfs/dbraw/zinc/91/54/34/1130915434.db2.gz HENWRKBQVBXLLT-UHFFFAOYSA-N 1 2 275.302 3.773 20 30 CHEDLO N#Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC001236532465 1130967448 /nfs/dbraw/zinc/96/74/48/1130967448.db2.gz VSBDDZYRFFAISE-UHFFFAOYSA-N 1 2 277.302 3.609 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000797785067 1131002196 /nfs/dbraw/zinc/00/21/96/1131002196.db2.gz SLGSOHSGDUZPGA-PNZWGNKRSA-N 1 2 295.382 3.946 20 30 CHEDLO COc1cccc(/C=[NH+]/CCCCc2ccccc2)c1O ZINC000798068551 1131023919 /nfs/dbraw/zinc/02/39/19/1131023919.db2.gz PLDANVNUWBPRTG-XMHGGMMESA-N 1 2 283.371 3.843 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)ccn1 ZINC001237469899 1131102322 /nfs/dbraw/zinc/10/23/22/1131102322.db2.gz HFWJYHDBTVIDQB-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)ccn1 ZINC001237469899 1131102326 /nfs/dbraw/zinc/10/23/26/1131102326.db2.gz HFWJYHDBTVIDQB-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO CCCCCCCCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001115900402 1131122702 /nfs/dbraw/zinc/12/27/02/1131122702.db2.gz BMRMLSFTSZKMCS-HNNXBMFYSA-N 1 2 279.428 3.653 20 30 CHEDLO Cc1c(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1Cl ZINC001238221980 1131183074 /nfs/dbraw/zinc/18/30/74/1131183074.db2.gz HPTADMVPHGATHZ-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1c(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1Cl ZINC001238221980 1131183075 /nfs/dbraw/zinc/18/30/75/1131183075.db2.gz HPTADMVPHGATHZ-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO CC(C)c1cc(Br)cc(C[N@H+](C)CCC#N)c1 ZINC001238416781 1131197684 /nfs/dbraw/zinc/19/76/84/1131197684.db2.gz LQDPYMOHBKYDTB-UHFFFAOYSA-N 1 2 295.224 3.918 20 30 CHEDLO CC(C)c1cc(Br)cc(C[N@@H+](C)CCC#N)c1 ZINC001238416781 1131197686 /nfs/dbraw/zinc/19/76/86/1131197686.db2.gz LQDPYMOHBKYDTB-UHFFFAOYSA-N 1 2 295.224 3.918 20 30 CHEDLO COc1cc(C)cc(F)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001238594805 1131219531 /nfs/dbraw/zinc/21/95/31/1131219531.db2.gz MGXHNCLPXDPNON-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1cc(C)cc(F)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001238594805 1131219533 /nfs/dbraw/zinc/21/95/33/1131219533.db2.gz MGXHNCLPXDPNON-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO Fc1ccc(Cl)c(F)c1C[NH+]1CCC(S)CC1 ZINC001137882860 1131428662 /nfs/dbraw/zinc/42/86/62/1131428662.db2.gz IHMUJXMTIJLSRM-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO COc1ccc(NC(=[NH2+])c2ccc3ccccc3n2)c(C)c1 ZINC001171046676 1131455337 /nfs/dbraw/zinc/45/53/37/1131455337.db2.gz VNOXQKTXLNJMAN-UHFFFAOYSA-N 1 2 291.354 3.589 20 30 CHEDLO Cn1c[nH+]c2ccc(N[C@@H]3CCc4c3cccc4C#N)cc21 ZINC001171064717 1131482849 /nfs/dbraw/zinc/48/28/49/1131482849.db2.gz LSLBCBWAVRKDHS-MRXNPFEDSA-N 1 2 288.354 3.544 20 30 CHEDLO COc1c(F)cc(C[N@H+](CCC#N)C2CCCC2)cc1F ZINC001138424007 1131504036 /nfs/dbraw/zinc/50/40/36/1131504036.db2.gz JEZQTYOSHYYJQP-UHFFFAOYSA-N 1 2 294.345 3.632 20 30 CHEDLO COc1c(F)cc(C[N@@H+](CCC#N)C2CCCC2)cc1F ZINC001138424007 1131504038 /nfs/dbraw/zinc/50/40/38/1131504038.db2.gz JEZQTYOSHYYJQP-UHFFFAOYSA-N 1 2 294.345 3.632 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001138443980 1131507441 /nfs/dbraw/zinc/50/74/41/1131507441.db2.gz MHQSRCQGVPZGSA-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@H+]1CC[C@H](C#N)C1 ZINC001138443980 1131507445 /nfs/dbraw/zinc/50/74/45/1131507445.db2.gz MHQSRCQGVPZGSA-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO CC(C)OC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726110 1131527870 /nfs/dbraw/zinc/52/78/70/1131527870.db2.gz GQYGENPBTNLQRQ-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001138661896 1131533975 /nfs/dbraw/zinc/53/39/75/1131533975.db2.gz ILHCCEKKLKYNAM-IAGOWNOFSA-N 1 2 295.373 3.914 20 30 CHEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001138661896 1131533978 /nfs/dbraw/zinc/53/39/78/1131533978.db2.gz ILHCCEKKLKYNAM-IAGOWNOFSA-N 1 2 295.373 3.914 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cccc(C(F)(F)F)c1C ZINC001143924330 1131555299 /nfs/dbraw/zinc/55/52/99/1131555299.db2.gz DTPBFHLPFRVXDT-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cccc(C(F)(F)F)c1C ZINC001143924330 1131555304 /nfs/dbraw/zinc/55/53/04/1131555304.db2.gz DTPBFHLPFRVXDT-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1cccc(Cl)c1C#N ZINC001139691992 1131630357 /nfs/dbraw/zinc/63/03/57/1131630357.db2.gz MJDNPSMPTUZODW-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1cccc(Cl)c1C#N ZINC001139691992 1131630360 /nfs/dbraw/zinc/63/03/60/1131630360.db2.gz MJDNPSMPTUZODW-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc2ccccc2cn1 ZINC001139998279 1131654884 /nfs/dbraw/zinc/65/48/84/1131654884.db2.gz RQAOJDOJBYAWFG-UHFFFAOYSA-N 1 2 267.376 3.751 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc2ccccc2cn1 ZINC001139998279 1131654888 /nfs/dbraw/zinc/65/48/88/1131654888.db2.gz RQAOJDOJBYAWFG-UHFFFAOYSA-N 1 2 267.376 3.751 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(C(F)(F)F)ccn1)C1CCCC1 ZINC001140106546 1131664276 /nfs/dbraw/zinc/66/42/76/1131664276.db2.gz JYZGEZOHIOZMCC-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1cc(C(F)(F)F)ccn1)C1CCCC1 ZINC001140106546 1131664278 /nfs/dbraw/zinc/66/42/78/1131664278.db2.gz JYZGEZOHIOZMCC-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO C=CC[N@H+](Cc1ncn2ccccc12)Cc1ccccc1 ZINC001144624606 1131667487 /nfs/dbraw/zinc/66/74/87/1131667487.db2.gz MTAWGVPFOIKSPQ-UHFFFAOYSA-N 1 2 277.371 3.523 20 30 CHEDLO C=CC[N@@H+](Cc1ncn2ccccc12)Cc1ccccc1 ZINC001144624606 1131667488 /nfs/dbraw/zinc/66/74/88/1131667488.db2.gz MTAWGVPFOIKSPQ-UHFFFAOYSA-N 1 2 277.371 3.523 20 30 CHEDLO CCCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246596932 1131710890 /nfs/dbraw/zinc/71/08/90/1131710890.db2.gz ZRJFSSFYMBREQK-IAGOWNOFSA-N 1 2 279.472 3.703 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cn1 ZINC001140546605 1131788552 /nfs/dbraw/zinc/78/85/52/1131788552.db2.gz NMKRZKFGEYJCBM-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cn1 ZINC001140546605 1131788556 /nfs/dbraw/zinc/78/85/56/1131788556.db2.gz NMKRZKFGEYJCBM-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1COCc2ccccc21 ZINC001171291142 1131802176 /nfs/dbraw/zinc/80/21/76/1131802176.db2.gz WFIATZRJOWSJQB-KRWDZBQOSA-N 1 2 280.371 3.802 20 30 CHEDLO CC[N@H+](Cc1ccncc1)Cc1cc(C#N)ccc1Cl ZINC001140599842 1131820234 /nfs/dbraw/zinc/82/02/34/1131820234.db2.gz TUWFVLSMRFGUEC-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccc1Cl ZINC001140599842 1131820237 /nfs/dbraw/zinc/82/02/37/1131820237.db2.gz TUWFVLSMRFGUEC-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO N#CCC[N@@H+](Cc1cnco1)C1CCCCCCC1 ZINC001140931140 1131966155 /nfs/dbraw/zinc/96/61/55/1131966155.db2.gz AICDWEMKIDHJIT-UHFFFAOYSA-N 1 2 261.369 3.503 20 30 CHEDLO N#CCC[N@H+](Cc1cnco1)C1CCCCCCC1 ZINC001140931140 1131966152 /nfs/dbraw/zinc/96/61/52/1131966152.db2.gz AICDWEMKIDHJIT-UHFFFAOYSA-N 1 2 261.369 3.503 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941911 1131968234 /nfs/dbraw/zinc/96/82/34/1131968234.db2.gz ZGCZMCNWXRMFPU-QGZVFWFLSA-N 1 2 299.805 3.866 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941911 1131968241 /nfs/dbraw/zinc/96/82/41/1131968241.db2.gz ZGCZMCNWXRMFPU-QGZVFWFLSA-N 1 2 299.805 3.866 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171563506 1132055291 /nfs/dbraw/zinc/05/52/91/1132055291.db2.gz JXQFPXUYHPXWLG-OAHLLOKOSA-N 1 2 256.393 3.524 20 30 CHEDLO C=CC[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001229954516 1132137183 /nfs/dbraw/zinc/13/71/83/1132137183.db2.gz PYVJXPGTDJCXLF-MRXNPFEDSA-N 1 2 256.349 3.852 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CC1(c2ccccc2)CC1 ZINC000839386567 1132204466 /nfs/dbraw/zinc/20/44/66/1132204466.db2.gz SZKOYISDBNCXTL-LDADJPATSA-N 1 2 251.329 3.543 20 30 CHEDLO N#CC1CCC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001231082814 1132253923 /nfs/dbraw/zinc/25/39/23/1132253923.db2.gz ZVZGXUUCHYIJLQ-UHFFFAOYSA-N 1 2 267.332 3.538 20 30 CHEDLO N#C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1F ZINC001231085167 1132255344 /nfs/dbraw/zinc/25/53/44/1132255344.db2.gz RBBYEMXCIPUEAG-INIZCTEOSA-N 1 2 293.301 3.859 20 30 CHEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550348 1132262746 /nfs/dbraw/zinc/26/27/46/1132262746.db2.gz FRZIPOPCHSROIW-IXDOHACOSA-N 1 2 256.393 3.851 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172558707 1132266991 /nfs/dbraw/zinc/26/69/91/1132266991.db2.gz ZBFAJPXGXCVOBD-CVEARBPZSA-N 1 2 256.393 3.995 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142114254 1132328763 /nfs/dbraw/zinc/32/87/63/1132328763.db2.gz CYWYTYYPQUEYCT-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142114254 1132328781 /nfs/dbraw/zinc/32/87/81/1132328781.db2.gz CYWYTYYPQUEYCT-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173262087 1132430698 /nfs/dbraw/zinc/43/06/98/1132430698.db2.gz RXPQGVCKQYLOKM-HUUCEWRRSA-N 1 2 281.465 3.865 20 30 CHEDLO CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173262087 1132430704 /nfs/dbraw/zinc/43/07/04/1132430704.db2.gz RXPQGVCKQYLOKM-HUUCEWRRSA-N 1 2 281.465 3.865 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(Cl)cs1 ZINC001232280470 1132449475 /nfs/dbraw/zinc/44/94/75/1132449475.db2.gz CRLMAWYBBFTTIE-UHFFFAOYSA-N 1 2 256.802 3.917 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(Cl)cs1 ZINC001232280470 1132449478 /nfs/dbraw/zinc/44/94/78/1132449478.db2.gz CRLMAWYBBFTTIE-UHFFFAOYSA-N 1 2 256.802 3.917 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232596809 1132491345 /nfs/dbraw/zinc/49/13/45/1132491345.db2.gz XXBUTESWHCBJSD-UHFFFAOYSA-N 1 2 293.794 3.691 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001232678957 1132504627 /nfs/dbraw/zinc/50/46/27/1132504627.db2.gz VTMYGBDYXFBVLX-MRXNPFEDSA-N 1 2 284.403 3.666 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001232678957 1132504633 /nfs/dbraw/zinc/50/46/33/1132504633.db2.gz VTMYGBDYXFBVLX-MRXNPFEDSA-N 1 2 284.403 3.666 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001232677117 1132505796 /nfs/dbraw/zinc/50/57/96/1132505796.db2.gz ZXNRQIJQBAKQTQ-KRWDZBQOSA-N 1 2 292.382 3.643 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001232677117 1132505806 /nfs/dbraw/zinc/50/58/06/1132505806.db2.gz ZXNRQIJQBAKQTQ-KRWDZBQOSA-N 1 2 292.382 3.643 20 30 CHEDLO N#Cc1cc[nH]c1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001233048272 1132567346 /nfs/dbraw/zinc/56/73/46/1132567346.db2.gz ZXDJDPOMNUJGDF-UHFFFAOYSA-N 1 2 294.402 3.616 20 30 CHEDLO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001233048272 1132567352 /nfs/dbraw/zinc/56/73/52/1132567352.db2.gz ZXDJDPOMNUJGDF-UHFFFAOYSA-N 1 2 294.402 3.616 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(F)c(C#N)c2)c(C)[nH+]1 ZINC001203375734 1132581478 /nfs/dbraw/zinc/58/14/78/1132581478.db2.gz AWNDBEUMQPBJHY-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CC(C)(Nc1ccc(Cl)c(N)[nH+]1)c1ccc(C#N)cc1 ZINC001156433359 1132696215 /nfs/dbraw/zinc/69/62/15/1132696215.db2.gz KLLXHFZMDPSTEU-UHFFFAOYSA-N 1 2 286.766 3.536 20 30 CHEDLO N#CCCCCNc1[nH+]cccc1OCc1ccc(F)cc1 ZINC001157642051 1132736918 /nfs/dbraw/zinc/73/69/18/1132736918.db2.gz QBBMNWVLIGFQQD-UHFFFAOYSA-N 1 2 299.349 3.905 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NC(C3CC3)C3CC3)c2c1 ZINC001157920643 1132754455 /nfs/dbraw/zinc/75/44/55/1132754455.db2.gz BPEJJRFYGNVWFN-UHFFFAOYSA-N 1 2 263.344 3.707 20 30 CHEDLO N#CCc1cc[nH+]c(NCCc2coc3ccccc23)c1 ZINC001158661843 1132787872 /nfs/dbraw/zinc/78/78/72/1132787872.db2.gz MTLMNDBFRHVOKX-UHFFFAOYSA-N 1 2 277.327 3.548 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)c(F)c2)nc(C(C)(C)C)[nH+]1 ZINC001159087244 1132806042 /nfs/dbraw/zinc/80/60/42/1132806042.db2.gz YXGJYEQRMRHFRK-UHFFFAOYSA-N 1 2 298.365 3.705 20 30 CHEDLO CCSc1cc[nH+]c(NCc2ccc(C#N)s2)c1 ZINC001159180255 1132813888 /nfs/dbraw/zinc/81/38/88/1132813888.db2.gz WZXZHZUWBQXWCM-UHFFFAOYSA-N 1 2 275.402 3.739 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3ncccc3C#N)ccc21 ZINC001174381387 1132828436 /nfs/dbraw/zinc/82/84/36/1132828436.db2.gz YPVODSLBEPNQQK-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO C#Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523807 1132912796 /nfs/dbraw/zinc/91/27/96/1132912796.db2.gz SCEPRYRAUMBSOE-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO N#Cc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1Cl ZINC001213031714 1132996394 /nfs/dbraw/zinc/99/63/94/1132996394.db2.gz NXMNEGPTHLMWDY-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO Cc1ccccc1CC(C)(C)Nc1cc(CC#N)cc[nH+]1 ZINC001161450785 1133002814 /nfs/dbraw/zinc/00/28/14/1133002814.db2.gz HSZUHAZPWBJCEF-UHFFFAOYSA-N 1 2 279.387 3.889 20 30 CHEDLO Cc1[nH+]c(N[C@](C)(C#N)CC(C)C)cc2[nH]ccc21 ZINC001162518867 1133086269 /nfs/dbraw/zinc/08/62/69/1133086269.db2.gz UIEIUKZCAUZCBU-HNNXBMFYSA-N 1 2 256.353 3.612 20 30 CHEDLO N#CCc1cc[nH+]c(N[C@H]2CCCc3cc(F)ccc32)c1 ZINC001162971470 1133124767 /nfs/dbraw/zinc/12/47/67/1133124767.db2.gz KCEONJLYNWBUOP-INIZCTEOSA-N 1 2 281.334 3.776 20 30 CHEDLO CC(C)(Nc1cc(CC#N)cc[nH+]1)c1cc(Cl)ccn1 ZINC001163143961 1133131816 /nfs/dbraw/zinc/13/18/16/1133131816.db2.gz LPPNXMXJBXJKPY-UHFFFAOYSA-N 1 2 286.766 3.543 20 30 CHEDLO C[C@@H]1CCC[C@@H](C)N1c1[nH+]ccc2ccc(C#N)cc21 ZINC001163539751 1133156996 /nfs/dbraw/zinc/15/69/96/1133156996.db2.gz BWXGONYJLZYVOR-CHWSQXEVSA-N 1 2 265.360 3.874 20 30 CHEDLO CC(C)(Cc1ccc(F)cc1)Nc1[nH+]cccc1CC#N ZINC001163851340 1133179378 /nfs/dbraw/zinc/17/93/78/1133179378.db2.gz SERBXWNQNJYUJG-UHFFFAOYSA-N 1 2 283.350 3.720 20 30 CHEDLO CCC1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001164446427 1133219247 /nfs/dbraw/zinc/21/92/47/1133219247.db2.gz WNXVXLKXRHDXAA-UHFFFAOYSA-N 1 2 265.360 3.733 20 30 CHEDLO N#Cc1ccc(CCSc2[nH+]cc3ccccn32)cc1 ZINC001164550923 1133222363 /nfs/dbraw/zinc/22/23/63/1133222363.db2.gz AUXDLVXQKUMENW-UHFFFAOYSA-N 1 2 279.368 3.541 20 30 CHEDLO Cn1c[nH+]c2ccc(NC(C)(C)c3ccc(C#N)cc3)cc21 ZINC001165753259 1133250229 /nfs/dbraw/zinc/25/02/29/1133250229.db2.gz YEKFWBAOIWWVII-UHFFFAOYSA-N 1 2 290.370 3.792 20 30 CHEDLO C[C@@H]1[C@@H](C)CCCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166609239 1133274490 /nfs/dbraw/zinc/27/44/90/1133274490.db2.gz HBWQRJUNWROMOW-QWHCGFSZSA-N 1 2 265.360 3.731 20 30 CHEDLO CNc1ccc(Nc2cc(C#N)ccc2C(F)(F)F)c[nH+]1 ZINC001203458916 1133330031 /nfs/dbraw/zinc/33/00/31/1133330031.db2.gz BEWHWKFXQTWIKQ-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO CNc1ccc(Nc2oc(-c3ccccc3)cc2C#N)c[nH+]1 ZINC001203450086 1133330159 /nfs/dbraw/zinc/33/01/59/1133330159.db2.gz SCFGWXRBQNFDCP-UHFFFAOYSA-N 1 2 290.326 3.999 20 30 CHEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001203522518 1133334973 /nfs/dbraw/zinc/33/49/73/1133334973.db2.gz REYASSWUXHUDPU-NSHDSACASA-N 1 2 274.751 3.992 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2c(C)cc(C#N)cc2C)c1 ZINC001203663043 1133346001 /nfs/dbraw/zinc/34/60/01/1133346001.db2.gz FZKIMVYLQIYRJQ-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(C(C)(C)C#N)nc2)c1 ZINC001203655818 1133349977 /nfs/dbraw/zinc/34/99/77/1133349977.db2.gz BRZOFOVGBDKMFU-UHFFFAOYSA-N 1 2 266.348 3.638 20 30 CHEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC001204440257 1133447460 /nfs/dbraw/zinc/44/74/60/1133447460.db2.gz AJVWJIKBTGWODR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)s1)C2 ZINC001204440257 1133447462 /nfs/dbraw/zinc/44/74/62/1133447462.db2.gz AJVWJIKBTGWODR-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C#CC[N@@H+](Cc1cccn1C(F)F)Cc1ccc(F)cc1 ZINC001204487974 1133453358 /nfs/dbraw/zinc/45/33/58/1133453358.db2.gz IEDWSLGQLAIZRQ-UHFFFAOYSA-N 1 2 292.304 3.658 20 30 CHEDLO C#CC[N@H+](Cc1cccn1C(F)F)Cc1ccc(F)cc1 ZINC001204487974 1133453363 /nfs/dbraw/zinc/45/33/63/1133453363.db2.gz IEDWSLGQLAIZRQ-UHFFFAOYSA-N 1 2 292.304 3.658 20 30 CHEDLO COc1cc(C)ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC001204496928 1133453446 /nfs/dbraw/zinc/45/34/46/1133453446.db2.gz KIBNLLLPLGWCER-UHFFFAOYSA-N 1 2 274.408 3.765 20 30 CHEDLO COc1cc(C)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001204496928 1133453448 /nfs/dbraw/zinc/45/34/48/1133453448.db2.gz KIBNLLLPLGWCER-UHFFFAOYSA-N 1 2 274.408 3.765 20 30 CHEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204998328 1133514660 /nfs/dbraw/zinc/51/46/60/1133514660.db2.gz WMGOBZDJSRNSCJ-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO C=CCC[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OCC ZINC001205849328 1133622105 /nfs/dbraw/zinc/62/21/05/1133622105.db2.gz OTCGMECAKRBSEO-DOTOQJQBSA-N 1 2 289.419 3.668 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000164166433 1133757588 /nfs/dbraw/zinc/75/75/88/1133757588.db2.gz LAOWZMFFMRHPKA-UHFFFAOYSA-N 1 2 280.582 3.844 20 30 CHEDLO CC(C)(CC[N@@H+]1CCCC[C@@H]1C#N)c1ccccc1 ZINC001208665879 1133924590 /nfs/dbraw/zinc/92/45/90/1133924590.db2.gz HDJDZQKJLNZTBL-MRXNPFEDSA-N 1 2 256.393 3.732 20 30 CHEDLO CC(C)(CC[N@H+]1CCCC[C@@H]1C#N)c1ccccc1 ZINC001208665879 1133924596 /nfs/dbraw/zinc/92/45/96/1133924596.db2.gz HDJDZQKJLNZTBL-MRXNPFEDSA-N 1 2 256.393 3.732 20 30 CHEDLO C=CCCCCCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209443109 1134021846 /nfs/dbraw/zinc/02/18/46/1134021846.db2.gz LSVLIPJNUFSTAK-OAHLLOKOSA-N 1 2 269.404 3.906 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209443109 1134021850 /nfs/dbraw/zinc/02/18/50/1134021850.db2.gz LSVLIPJNUFSTAK-OAHLLOKOSA-N 1 2 269.404 3.906 20 30 CHEDLO COc1c(Cl)ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001209701056 1134052318 /nfs/dbraw/zinc/05/23/18/1134052318.db2.gz QLDAIEWQKTYCCX-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(Cl)ccc(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001209701056 1134052327 /nfs/dbraw/zinc/05/23/27/1134052327.db2.gz QLDAIEWQKTYCCX-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1cc(Nc2cc(F)c(C#N)c(F)c2)ccc1[NH+](C)C ZINC001210043399 1134132303 /nfs/dbraw/zinc/13/23/03/1134132303.db2.gz DXTNMQPQQBSLDB-UHFFFAOYSA-N 1 2 287.313 3.955 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3cnc(C#N)c(C)c3)ccc12 ZINC001210209802 1134166919 /nfs/dbraw/zinc/16/69/19/1134166919.db2.gz XRPKSASMZPPHJR-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO CC(C)n1ncc(C#N)c1Nc1cccc2cc[nH+]cc21 ZINC001210224869 1134172589 /nfs/dbraw/zinc/17/25/89/1134172589.db2.gz ZBYNZJUPULYSEW-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO Cc1cc(C#N)cc(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001210389454 1134206178 /nfs/dbraw/zinc/20/61/78/1134206178.db2.gz FBFWEAGFGMWFML-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CCOc1cc(Nc2cc(C#N)ccc2C)cc(C)[nH+]1 ZINC001210501188 1134231459 /nfs/dbraw/zinc/23/14/59/1134231459.db2.gz XROREFWBIDSOQX-UHFFFAOYSA-N 1 2 267.332 3.712 20 30 CHEDLO COc1cc(Nc2sc3c(c2C#N)CCC3)cc(C)[nH+]1 ZINC001210775917 1134293980 /nfs/dbraw/zinc/29/39/80/1134293980.db2.gz KCMUNCNJFFUNKI-UHFFFAOYSA-N 1 2 285.372 3.564 20 30 CHEDLO COc1cc(Nc2ccc(C#N)c3ncccc23)cc(C)[nH+]1 ZINC001210783598 1134295602 /nfs/dbraw/zinc/29/56/02/1134295602.db2.gz GNFBANLLEBCEHG-UHFFFAOYSA-N 1 2 290.326 3.562 20 30 CHEDLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC001210807533 1134299926 /nfs/dbraw/zinc/29/99/26/1134299926.db2.gz KPPXYUKPUBZHPP-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1c(C#N)cnn1C(C)(C)C ZINC001213488703 1134452815 /nfs/dbraw/zinc/45/28/15/1134452815.db2.gz BPYUKWRYNAWJRP-UHFFFAOYSA-N 1 2 295.390 3.834 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)c(F)c(C#N)c2F)c[nH+]1 ZINC001213521198 1134460299 /nfs/dbraw/zinc/46/02/99/1134460299.db2.gz YRQYFRPFRQWSMU-UHFFFAOYSA-N 1 2 277.249 3.731 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000301759898 1134490077 /nfs/dbraw/zinc/49/00/77/1134490077.db2.gz IDIPTSJGVRYOFW-HNNXBMFYSA-N 1 2 286.419 3.813 20 30 CHEDLO C#Cc1cc(Nc2cc(Cl)ccc2SC)cc[nH+]1 ZINC001215910291 1134717046 /nfs/dbraw/zinc/71/70/46/1134717046.db2.gz DSOHZDLAQZUGCE-UHFFFAOYSA-N 1 2 274.776 3.604 20 30 CHEDLO Cc1cn2cccc(Nc3cccc(Cl)c3C#N)c2[nH+]1 ZINC001216124853 1134786448 /nfs/dbraw/zinc/78/64/48/1134786448.db2.gz CTQXZIFNYMNMQL-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO Cn1c[nH+]c2cc(Nc3cccc(Cl)c3C#N)ccc21 ZINC001216127775 1134787230 /nfs/dbraw/zinc/78/72/30/1134787230.db2.gz GSBWVVRODZKZFJ-UHFFFAOYSA-N 1 2 282.734 3.842 20 30 CHEDLO C=CCCCCCCCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217854367 1135010232 /nfs/dbraw/zinc/01/02/32/1135010232.db2.gz GISHKCFYBZFARO-AWEZNQCLSA-N 1 2 275.383 3.917 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Oc1cc[nH+]cc1 ZINC001225294207 1135537319 /nfs/dbraw/zinc/53/73/19/1135537319.db2.gz HFVKZWQCNDTNSM-CYBMUJFWSA-N 1 2 255.317 3.786 20 30 CHEDLO CCc1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000344313293 529654054 /nfs/dbraw/zinc/65/40/54/529654054.db2.gz YLJCMLOPNHCTQB-HNNXBMFYSA-N 1 2 285.416 3.840 20 30 CHEDLO Cc1cc(N2CCCC2)ccc1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000334770015 225315885 /nfs/dbraw/zinc/31/58/85/225315885.db2.gz BBKOCXFUSWPKQU-HUUCEWRRSA-N 1 2 269.392 3.699 20 30 CHEDLO Cc1sccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000335938462 228167223 /nfs/dbraw/zinc/16/72/23/228167223.db2.gz KERHTWZHUVMBSV-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1sccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000335938462 228167224 /nfs/dbraw/zinc/16/72/24/228167224.db2.gz KERHTWZHUVMBSV-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312612847 260182102 /nfs/dbraw/zinc/18/21/02/260182102.db2.gz YMIKDFQVEAXVTF-UHFFFAOYSA-N 1 2 263.193 3.694 20 30 CHEDLO C=CCN(Cc1[nH+]ccn1C(C)C)Cc1cccc(C#N)c1 ZINC000299577547 260188786 /nfs/dbraw/zinc/18/87/86/260188786.db2.gz IKDDXGKNULXWAB-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO N#Cc1cccc(CNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000090802976 260262385 /nfs/dbraw/zinc/26/23/85/260262385.db2.gz GDWNUABNLODEKH-UHFFFAOYSA-N 1 2 277.249 3.584 20 30 CHEDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)o2)cc1 ZINC000093458856 260518788 /nfs/dbraw/zinc/51/87/88/260518788.db2.gz IGDGORJHLVGDHZ-QGZVFWFLSA-N 1 2 298.411 3.750 20 30 CHEDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000093458856 260518790 /nfs/dbraw/zinc/51/87/90/260518790.db2.gz IGDGORJHLVGDHZ-QGZVFWFLSA-N 1 2 298.411 3.750 20 30 CHEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(CC#N)CC1 ZINC000526053128 261204502 /nfs/dbraw/zinc/20/45/02/261204502.db2.gz TZMIBGHBRNGYMJ-UHFFFAOYSA-N 1 2 295.386 3.682 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000177249842 261343090 /nfs/dbraw/zinc/34/30/90/261343090.db2.gz PTKSODSVKMCOON-UHFFFAOYSA-N 1 2 268.335 3.638 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000177249842 261343092 /nfs/dbraw/zinc/34/30/92/261343092.db2.gz PTKSODSVKMCOON-UHFFFAOYSA-N 1 2 268.335 3.638 20 30 CHEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187853618 262144913 /nfs/dbraw/zinc/14/49/13/262144913.db2.gz YOASGWHLNNQSSD-OAHLLOKOSA-N 1 2 296.773 3.546 20 30 CHEDLO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187853618 262144914 /nfs/dbraw/zinc/14/49/14/262144914.db2.gz YOASGWHLNNQSSD-OAHLLOKOSA-N 1 2 296.773 3.546 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1ncc(C)o1 ZINC000411137542 262680698 /nfs/dbraw/zinc/68/06/98/262680698.db2.gz OTPWDNSMMHKLHL-GFCCVEGCSA-N 1 2 262.378 3.794 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1ncc(C)o1 ZINC000411137542 262680699 /nfs/dbraw/zinc/68/06/99/262680699.db2.gz OTPWDNSMMHKLHL-GFCCVEGCSA-N 1 2 262.378 3.794 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1cnc(C)cn1 ZINC000411181367 262683509 /nfs/dbraw/zinc/68/35/09/262683509.db2.gz AQSWTDMXCNWGOR-CQSZACIVSA-N 1 2 285.366 3.673 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)c1cnc(C)cn1 ZINC000411181367 262683510 /nfs/dbraw/zinc/68/35/10/262683510.db2.gz AQSWTDMXCNWGOR-CQSZACIVSA-N 1 2 285.366 3.673 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414371867 262852807 /nfs/dbraw/zinc/85/28/07/262852807.db2.gz OGUVVKUYHRGCHT-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414371867 262852809 /nfs/dbraw/zinc/85/28/09/262852809.db2.gz OGUVVKUYHRGCHT-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO Cc1ccc(-c2cnc(C[NH+]3CCC(C)(C#N)CC3)o2)cc1 ZINC000272550331 263006510 /nfs/dbraw/zinc/00/65/10/263006510.db2.gz KQKMUPHGODAXGD-UHFFFAOYSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1cc(N2CCC(C)(C#N)CC2)c2cccc(F)c2[nH+]1 ZINC000272561584 263006725 /nfs/dbraw/zinc/00/67/25/263006725.db2.gz VNUVBTPLGOOVAU-UHFFFAOYSA-N 1 2 283.350 3.812 20 30 CHEDLO C[C@H](C[N@H+](CCC#N)Cc1cccnc1)c1ccc(F)cc1 ZINC000275757336 263034142 /nfs/dbraw/zinc/03/41/42/263034142.db2.gz UHAQWYMEBUTXKU-OAHLLOKOSA-N 1 2 297.377 3.740 20 30 CHEDLO C[C@H](C[N@@H+](CCC#N)Cc1cccnc1)c1ccc(F)cc1 ZINC000275757336 263034143 /nfs/dbraw/zinc/03/41/43/263034143.db2.gz UHAQWYMEBUTXKU-OAHLLOKOSA-N 1 2 297.377 3.740 20 30 CHEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000278875481 263051492 /nfs/dbraw/zinc/05/14/92/263051492.db2.gz XISGQNAFCPRBCC-HUUCEWRRSA-N 1 2 284.407 3.566 20 30 CHEDLO CCCCc1[nH]c2ccc(NC(=O)CCCC#N)cc2[nH+]1 ZINC000292434746 263132175 /nfs/dbraw/zinc/13/21/75/263132175.db2.gz VGKKAKCVYZTRLS-UHFFFAOYSA-N 1 2 284.363 3.538 20 30 CHEDLO Cc1cccc(CNc2[nH+]cccc2OCCCC#N)c1F ZINC000296196364 263187311 /nfs/dbraw/zinc/18/73/11/263187311.db2.gz YUAGGIZEHYSTGJ-UHFFFAOYSA-N 1 2 299.349 3.824 20 30 CHEDLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1ccc(C#N)cc1 ZINC000453251372 263210658 /nfs/dbraw/zinc/21/06/58/263210658.db2.gz SYGZZSNFWUJOAR-CHWSQXEVSA-N 1 2 252.308 3.643 20 30 CHEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000187588136 263262540 /nfs/dbraw/zinc/26/25/40/263262540.db2.gz UOISECMVZGPXIU-IUCAKERBSA-N 1 2 257.164 3.946 20 30 CHEDLO Cc1cc(C)c(NC(=O)NCCC2CCCC2)c(C)[nH+]1 ZINC000331325609 264190333 /nfs/dbraw/zinc/19/03/33/264190333.db2.gz MOUKZCNGQXYJGL-UHFFFAOYSA-N 1 2 275.396 3.913 20 30 CHEDLO C=CC[N@@H+](Cc1csc(C)n1)Cc1ccccc1 ZINC000076718967 264343864 /nfs/dbraw/zinc/34/38/64/264343864.db2.gz RBLZVARBLWCQOQ-UHFFFAOYSA-N 1 2 258.390 3.640 20 30 CHEDLO C=CC[N@H+](Cc1csc(C)n1)Cc1ccccc1 ZINC000076718967 264343866 /nfs/dbraw/zinc/34/38/66/264343866.db2.gz RBLZVARBLWCQOQ-UHFFFAOYSA-N 1 2 258.390 3.640 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190760566 264428315 /nfs/dbraw/zinc/42/83/15/264428315.db2.gz UXXQMPXZFYCNEX-KRWDZBQOSA-N 1 2 283.375 3.628 20 30 CHEDLO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000363285504 267084757 /nfs/dbraw/zinc/08/47/57/267084757.db2.gz LXFFODMECXWJPW-IAGOWNOFSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1nc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000363285504 267084760 /nfs/dbraw/zinc/08/47/60/267084760.db2.gz LXFFODMECXWJPW-IAGOWNOFSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1csc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000370394735 267316721 /nfs/dbraw/zinc/31/67/21/267316721.db2.gz MCHRDFCJCXXMCU-HZPDHXFCSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1csc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000370394735 267316725 /nfs/dbraw/zinc/31/67/25/267316725.db2.gz MCHRDFCJCXXMCU-HZPDHXFCSA-N 1 2 297.427 3.723 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CCC1 ZINC000418140634 267362182 /nfs/dbraw/zinc/36/21/82/267362182.db2.gz JUUOXGNETKUJDR-UHFFFAOYSA-N 1 2 287.165 3.916 20 30 CHEDLO C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(C#N)CC1 ZINC000186888078 327704990 /nfs/dbraw/zinc/70/49/90/327704990.db2.gz RYTBUGSZTJDCQW-SNVBAGLBSA-N 1 2 266.747 3.776 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000506168325 332764049 /nfs/dbraw/zinc/76/40/49/332764049.db2.gz JTASJTAVRUUKCT-UHFFFAOYSA-N 1 2 296.201 3.815 20 30 CHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1Cl ZINC000160824493 328088559 /nfs/dbraw/zinc/08/85/59/328088559.db2.gz ZPGRXZXKQQYVCN-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1Cl ZINC000160824493 328088561 /nfs/dbraw/zinc/08/85/61/328088561.db2.gz ZPGRXZXKQQYVCN-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@H+](Cc1c(F)cccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000284293117 328245654 /nfs/dbraw/zinc/24/56/54/328245654.db2.gz ODWCFKXCSMOAAB-QWRGUYRKSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000284293117 328245655 /nfs/dbraw/zinc/24/56/55/328245655.db2.gz ODWCFKXCSMOAAB-QWRGUYRKSA-N 1 2 266.747 3.603 20 30 CHEDLO C=CCCOCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287271920 328250540 /nfs/dbraw/zinc/25/05/40/328250540.db2.gz AZWNJNSYQKSCRQ-CQSZACIVSA-N 1 2 283.799 3.679 20 30 CHEDLO C/C(=C\c1ccccc1)C[N@H+](CC#N)C1CCCC1 ZINC000255711883 327007051 /nfs/dbraw/zinc/00/70/51/327007051.db2.gz ZCQCDEQYRXRAEP-FYWRMAATSA-N 1 2 254.377 3.858 20 30 CHEDLO C/C(=C\c1ccccc1)C[N@@H+](CC#N)C1CCCC1 ZINC000255711883 327007052 /nfs/dbraw/zinc/00/70/52/327007052.db2.gz ZCQCDEQYRXRAEP-FYWRMAATSA-N 1 2 254.377 3.858 20 30 CHEDLO FC(F)(F)C1=CC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000533834963 327220818 /nfs/dbraw/zinc/22/08/18/327220818.db2.gz PMQWMIOPWIBNHX-UHFFFAOYSA-N 1 2 299.723 3.886 20 30 CHEDLO FC(F)(F)C1=CC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000533834963 327220819 /nfs/dbraw/zinc/22/08/19/327220819.db2.gz PMQWMIOPWIBNHX-UHFFFAOYSA-N 1 2 299.723 3.886 20 30 CHEDLO C=CCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCCCC1 ZINC000560201574 327289470 /nfs/dbraw/zinc/28/94/70/327289470.db2.gz CTFGIVBKXHSKSA-UHFFFAOYSA-N 1 2 272.392 3.585 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000560574137 327326779 /nfs/dbraw/zinc/32/67/79/327326779.db2.gz NZLOUOIWPYRWFQ-GFCCVEGCSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000560574137 327326780 /nfs/dbraw/zinc/32/67/80/327326780.db2.gz NZLOUOIWPYRWFQ-GFCCVEGCSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(C2CCN(c3ccc(F)cc3C#N)CC2)c[nH+]1 ZINC000374676514 328995953 /nfs/dbraw/zinc/99/59/53/328995953.db2.gz HBJCBKZRGNKWJQ-UHFFFAOYSA-N 1 2 295.361 3.785 20 30 CHEDLO C=CCCCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000582676132 329123973 /nfs/dbraw/zinc/12/39/73/329123973.db2.gz DIVFVXXODPLSHA-HNNXBMFYSA-N 1 2 276.428 3.762 20 30 CHEDLO C=C(C)[C@@H](Nc1cc[nH+]c(C)n1)c1ccc(F)c(F)c1 ZINC000185778396 329331596 /nfs/dbraw/zinc/33/15/96/329331596.db2.gz DRSYUUSDKZIDSY-OAHLLOKOSA-N 1 2 275.302 3.793 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1nccs1)c1ccc(F)c(F)c1 ZINC000187369194 329355935 /nfs/dbraw/zinc/35/59/35/329355935.db2.gz KUNUYLQMOXOSQV-AWEZNQCLSA-N 1 2 280.343 3.828 20 30 CHEDLO CC(C)[NH+](Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000047549094 329619628 /nfs/dbraw/zinc/61/96/28/329619628.db2.gz ONWGPQHXMFNJLA-UHFFFAOYSA-N 1 2 289.382 3.841 20 30 CHEDLO COc1c(C)c[nH+]c(CSCC2(C#N)CCC2)c1C ZINC000419451492 329730267 /nfs/dbraw/zinc/73/02/67/329730267.db2.gz DFNOAISDMJRGRG-UHFFFAOYSA-N 1 2 276.405 3.634 20 30 CHEDLO C=C1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000264497140 330061265 /nfs/dbraw/zinc/06/12/65/330061265.db2.gz UVZJMAVQDOAZNU-UHFFFAOYSA-N 1 2 286.419 3.709 20 30 CHEDLO C=C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000264463811 330061519 /nfs/dbraw/zinc/06/15/19/330061519.db2.gz LIJORYDUIYHGHR-UHFFFAOYSA-N 1 2 260.362 3.555 20 30 CHEDLO C=CCCSCc1[nH+]ccn1Cc1ccccc1 ZINC000266800414 330064211 /nfs/dbraw/zinc/06/42/11/330064211.db2.gz YUUWBIRGSZMDNS-UHFFFAOYSA-N 1 2 258.390 3.741 20 30 CHEDLO C=CCOc1ccc(C[N@H+](C)Cc2ccon2)cc1Cl ZINC000271166123 330077910 /nfs/dbraw/zinc/07/79/10/330077910.db2.gz CMMWPOOVKIZECA-UHFFFAOYSA-N 1 2 292.766 3.525 20 30 CHEDLO C=CCOc1ccc(C[N@@H+](C)Cc2ccon2)cc1Cl ZINC000271166123 330077911 /nfs/dbraw/zinc/07/79/11/330077911.db2.gz CMMWPOOVKIZECA-UHFFFAOYSA-N 1 2 292.766 3.525 20 30 CHEDLO C=CCCCc1nc(Cn2c3ccccc3[nH+]c2CC)no1 ZINC000274014566 330101663 /nfs/dbraw/zinc/10/16/63/330101663.db2.gz NZNXTNXHJORIRF-UHFFFAOYSA-N 1 2 296.374 3.539 20 30 CHEDLO C[C@@H](C#N)C[N@H+](CCc1c(F)cccc1Cl)C1CC1 ZINC000533138675 330350361 /nfs/dbraw/zinc/35/03/61/330350361.db2.gz PYPRYJMANXNWTR-NSHDSACASA-N 1 2 280.774 3.646 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](CCc1c(F)cccc1Cl)C1CC1 ZINC000533138675 330350362 /nfs/dbraw/zinc/35/03/62/330350362.db2.gz PYPRYJMANXNWTR-NSHDSACASA-N 1 2 280.774 3.646 20 30 CHEDLO CC[N@@H+](CC#N)CC/C=C/c1ccc(Br)cc1 ZINC000117336905 330364558 /nfs/dbraw/zinc/36/45/58/330364558.db2.gz WFLWORUGFDBCTR-HWKANZROSA-N 1 2 293.208 3.698 20 30 CHEDLO CC[N@H+](CC#N)CC/C=C/c1ccc(Br)cc1 ZINC000117336905 330364559 /nfs/dbraw/zinc/36/45/59/330364559.db2.gz WFLWORUGFDBCTR-HWKANZROSA-N 1 2 293.208 3.698 20 30 CHEDLO CC(C)c1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433016759 330612205 /nfs/dbraw/zinc/61/22/05/330612205.db2.gz UJRZOYNDEUCDHC-OAHLLOKOSA-N 1 2 298.390 3.718 20 30 CHEDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000160278057 330862428 /nfs/dbraw/zinc/86/24/28/330862428.db2.gz RBKZOGPLLUOXAG-LBPRGKRZSA-N 1 2 284.334 3.557 20 30 CHEDLO N#C[C@H]1[N@H+](CCC2=CCCCC2)CCC[C@]12CCCCO2 ZINC000450881424 331004594 /nfs/dbraw/zinc/00/45/94/331004594.db2.gz MDCMZPKDUXXGTE-QZTJIDSGSA-N 1 2 288.435 3.804 20 30 CHEDLO N#C[C@H]1[N@@H+](CCC2=CCCCC2)CCC[C@]12CCCCO2 ZINC000450881424 331004595 /nfs/dbraw/zinc/00/45/95/331004595.db2.gz MDCMZPKDUXXGTE-QZTJIDSGSA-N 1 2 288.435 3.804 20 30 CHEDLO C=C(C)C[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450891223 331005166 /nfs/dbraw/zinc/00/51/66/331005166.db2.gz YVZCGXUAFZJEEW-UHFFFAOYSA-N 1 2 299.443 3.994 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450891223 331005167 /nfs/dbraw/zinc/00/51/67/331005167.db2.gz YVZCGXUAFZJEEW-UHFFFAOYSA-N 1 2 299.443 3.994 20 30 CHEDLO Cc1[nH+]c(C(C)C)ccc1CNc1cccc(C#N)c1 ZINC000453058156 331085292 /nfs/dbraw/zinc/08/52/92/331085292.db2.gz KCENDNRUIHDVQH-UHFFFAOYSA-N 1 2 265.360 3.997 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H](C)c1ccncn1)c1ccc(F)c(F)c1 ZINC000453199463 331100572 /nfs/dbraw/zinc/10/05/72/331100572.db2.gz QFGMVRSNMHZWPN-BZNIZROVSA-N 1 2 289.329 3.723 20 30 CHEDLO C=CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CCCCC1 ZINC000456348031 331190527 /nfs/dbraw/zinc/19/05/27/331190527.db2.gz KCFRNVSDTHFWBT-AWEZNQCLSA-N 1 2 289.423 3.607 20 30 CHEDLO C=CCC[C@H](CCC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000463290854 331345469 /nfs/dbraw/zinc/34/54/69/331345469.db2.gz LLGYRVLIQDXRSZ-JKSUJKDBSA-N 1 2 275.392 3.625 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000489477029 332054997 /nfs/dbraw/zinc/05/49/97/332054997.db2.gz NOFLZYMPGREUIP-CQSZACIVSA-N 1 2 292.448 3.652 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000489477029 332054999 /nfs/dbraw/zinc/05/49/99/332054999.db2.gz NOFLZYMPGREUIP-CQSZACIVSA-N 1 2 292.448 3.652 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000489553233 332058893 /nfs/dbraw/zinc/05/88/93/332058893.db2.gz ZOXWAWBIZVIOEM-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000489553233 332058894 /nfs/dbraw/zinc/05/88/94/332058894.db2.gz ZOXWAWBIZVIOEM-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO C#C[C@H]([NH2+]Cc1sccc1OC)c1ccc(Cl)cc1 ZINC000491724159 332308725 /nfs/dbraw/zinc/30/87/25/332308725.db2.gz DOBXHBGDQAMIRA-ZDUSSCGKSA-N 1 2 291.803 3.874 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cscn1)c1ccc(F)c(F)c1 ZINC000187373741 333169802 /nfs/dbraw/zinc/16/98/02/333169802.db2.gz JVOJXQFOBODHHK-AWEZNQCLSA-N 1 2 280.343 3.828 20 30 CHEDLO Cc1cc2[nH+]cn(Cc3ccc(C#N)c(F)c3)c2cc1C ZINC000189977730 333201150 /nfs/dbraw/zinc/20/11/50/333201150.db2.gz VEGYJWIOVJRNMW-UHFFFAOYSA-N 1 2 279.318 3.712 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1c(F)cccc1Cl ZINC000522057132 333232479 /nfs/dbraw/zinc/23/24/79/333232479.db2.gz TYDRBAHBMYSBLS-JTQLQIEISA-N 1 2 289.741 3.597 20 30 CHEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000195434638 333253033 /nfs/dbraw/zinc/25/30/33/333253033.db2.gz MCYWOQKIMDOVQP-NEPJUHHUSA-N 1 2 250.773 3.883 20 30 CHEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000195434638 333253035 /nfs/dbraw/zinc/25/30/35/333253035.db2.gz MCYWOQKIMDOVQP-NEPJUHHUSA-N 1 2 250.773 3.883 20 30 CHEDLO CC[N@@H+](Cc1ccc(C)cc1Cl)C[C@@H](C)C#N ZINC000233467017 333352569 /nfs/dbraw/zinc/35/25/69/333352569.db2.gz CUFFDUMVIDXCEB-LBPRGKRZSA-N 1 2 250.773 3.630 20 30 CHEDLO CC[N@H+](Cc1ccc(C)cc1Cl)C[C@@H](C)C#N ZINC000233467017 333352571 /nfs/dbraw/zinc/35/25/71/333352571.db2.gz CUFFDUMVIDXCEB-LBPRGKRZSA-N 1 2 250.773 3.630 20 30 CHEDLO CCc1ccc(CC[N@H+](CC#N)C2CCCC2)cc1 ZINC000524595067 333367983 /nfs/dbraw/zinc/36/79/83/333367983.db2.gz APOFHBDZKRCSDS-UHFFFAOYSA-N 1 2 256.393 3.560 20 30 CHEDLO CCc1ccc(CC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000524595067 333367984 /nfs/dbraw/zinc/36/79/84/333367984.db2.gz APOFHBDZKRCSDS-UHFFFAOYSA-N 1 2 256.393 3.560 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000174357919 335153170 /nfs/dbraw/zinc/15/31/70/335153170.db2.gz SAZRZRHTAUBOOE-NWDGAFQWSA-N 1 2 298.390 3.651 20 30 CHEDLO CCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1F ZINC000131326445 333924088 /nfs/dbraw/zinc/92/40/88/333924088.db2.gz YKKCHJTWALXDML-UHFFFAOYSA-N 1 2 294.333 3.520 20 30 CHEDLO Cc1cc(C)c(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC000546633476 334042185 /nfs/dbraw/zinc/04/21/85/334042185.db2.gz NIKDLCQHPXJSPL-UHFFFAOYSA-N 1 2 265.360 3.685 20 30 CHEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](C#N)CCC#N ZINC000076513946 334083472 /nfs/dbraw/zinc/08/34/72/334083472.db2.gz XAKHTOQPBJLLKC-CYBMUJFWSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](C#N)CCC#N ZINC000076513946 334083473 /nfs/dbraw/zinc/08/34/73/334083473.db2.gz XAKHTOQPBJLLKC-CYBMUJFWSA-N 1 2 295.308 3.581 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000237408778 334088243 /nfs/dbraw/zinc/08/82/43/334088243.db2.gz YVRIZNCPPHGQIL-LLVKDONJSA-N 1 2 274.751 3.849 20 30 CHEDLO CC[N@H+](CC#N)CC1CCC(c2ccccc2)CC1 ZINC000547738637 334113581 /nfs/dbraw/zinc/11/35/81/334113581.db2.gz QBNMNYGPEZCGLE-UHFFFAOYSA-N 1 2 256.393 3.806 20 30 CHEDLO CC[N@@H+](CC#N)CC1CCC(c2ccccc2)CC1 ZINC000547738637 334113583 /nfs/dbraw/zinc/11/35/83/334113583.db2.gz QBNMNYGPEZCGLE-UHFFFAOYSA-N 1 2 256.393 3.806 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000548157915 334143523 /nfs/dbraw/zinc/14/35/23/334143523.db2.gz ZWUACJJJYACUNK-KRWDZBQOSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000548157915 334143524 /nfs/dbraw/zinc/14/35/24/334143524.db2.gz ZWUACJJJYACUNK-KRWDZBQOSA-N 1 2 297.789 3.944 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)o1 ZINC000136133814 334147852 /nfs/dbraw/zinc/14/78/52/334147852.db2.gz IIERRJMQNUXWAO-UHFFFAOYSA-N 1 2 288.297 3.598 20 30 CHEDLO CC(C)COc1ccccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000549159149 334186791 /nfs/dbraw/zinc/18/67/91/334186791.db2.gz SOZQHGBUCWEQAX-HNNXBMFYSA-N 1 2 286.419 3.845 20 30 CHEDLO CC(C)COc1ccccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000549159149 334186792 /nfs/dbraw/zinc/18/67/92/334186792.db2.gz SOZQHGBUCWEQAX-HNNXBMFYSA-N 1 2 286.419 3.845 20 30 CHEDLO C[N@H+](Cc1cc(Cl)ccc1Cl)CC(C)(C)C#N ZINC000552085227 334287374 /nfs/dbraw/zinc/28/73/74/334287374.db2.gz UUMLOVMXXBAFEV-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C[N@@H+](Cc1cc(Cl)ccc1Cl)CC(C)(C)C#N ZINC000552085227 334287375 /nfs/dbraw/zinc/28/73/75/334287375.db2.gz UUMLOVMXXBAFEV-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)c2ccc(Cl)cc2)C1 ZINC000552097691 334289394 /nfs/dbraw/zinc/28/93/94/334289394.db2.gz KGZCKBXWMMODTP-ZWNOBZJWSA-N 1 2 284.737 3.714 20 30 CHEDLO CCCCOc1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000552316903 334316124 /nfs/dbraw/zinc/31/61/24/334316124.db2.gz RZAHYYMODVFNCC-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000552316903 334316126 /nfs/dbraw/zinc/31/61/26/334316126.db2.gz RZAHYYMODVFNCC-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000552545988 334334784 /nfs/dbraw/zinc/33/47/84/334334784.db2.gz KCUXNPLFIIRAAW-CYBMUJFWSA-N 1 2 292.810 3.649 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(C#N)c(F)c1 ZINC000576293322 335185394 /nfs/dbraw/zinc/18/53/94/335185394.db2.gz QIHZLMKYEAMVNZ-ZJUUUORDSA-N 1 2 275.352 3.566 20 30 CHEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356090644 534128227 /nfs/dbraw/zinc/12/82/27/534128227.db2.gz RZXQMAQBVHLEHL-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356090644 534128231 /nfs/dbraw/zinc/12/82/31/534128231.db2.gz RZXQMAQBVHLEHL-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO Cc1ccc2[nH]c(C[N@@H+](C)[C@H](C)CC#N)cc2c1C ZINC000352001585 534353215 /nfs/dbraw/zinc/35/32/15/534353215.db2.gz GOIGDEOJWANXOP-GFCCVEGCSA-N 1 2 255.365 3.519 20 30 CHEDLO Cc1ccc2[nH]c(C[N@H+](C)[C@H](C)CC#N)cc2c1C ZINC000352001585 534353218 /nfs/dbraw/zinc/35/32/18/534353218.db2.gz GOIGDEOJWANXOP-GFCCVEGCSA-N 1 2 255.365 3.519 20 30 CHEDLO CC[C@H](Nc1ccc(C)[nH+]c1)c1ccc(C#N)cc1 ZINC000278610862 522768366 /nfs/dbraw/zinc/76/83/66/522768366.db2.gz FOVIXIQXHSEEGQ-INIZCTEOSA-N 1 2 251.333 3.825 20 30 CHEDLO COc1cc[nH+]cc1CS[C@H](C)c1cccc(C#N)c1 ZINC000289476171 524863385 /nfs/dbraw/zinc/86/33/85/524863385.db2.gz WRWBUBIFQSYRGN-GFCCVEGCSA-N 1 2 284.384 3.956 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(C2CC2)n1 ZINC000352701647 526326650 /nfs/dbraw/zinc/32/66/50/526326650.db2.gz MBVNNZNVDXLDEQ-UHFFFAOYSA-N 1 2 288.416 3.844 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(C2CC2)n1 ZINC000352701647 526326652 /nfs/dbraw/zinc/32/66/52/526326652.db2.gz MBVNNZNVDXLDEQ-UHFFFAOYSA-N 1 2 288.416 3.844 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000353321588 526905050 /nfs/dbraw/zinc/90/50/50/526905050.db2.gz RGWDENZGKBFMCP-UHFFFAOYSA-N 1 2 293.794 3.653 20 30 CHEDLO C=C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000353327130 526906341 /nfs/dbraw/zinc/90/63/41/526906341.db2.gz DHPRASVDAOXWCI-UHFFFAOYSA-N 1 2 272.211 3.663 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001137883208 1131429102 /nfs/dbraw/zinc/42/91/02/1131429102.db2.gz YDBRKIQNKREQML-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO CC[N@@H+](Cc1ccccc1Oc1cccnc1)C[C@H](C)C#N ZINC000130009322 1125479312 /nfs/dbraw/zinc/47/93/12/1125479312.db2.gz HRPHJGGTQXKJJX-OAHLLOKOSA-N 1 2 295.386 3.855 20 30 CHEDLO CC[N@H+](Cc1ccccc1Oc1cccnc1)C[C@H](C)C#N ZINC000130009322 1125479314 /nfs/dbraw/zinc/47/93/14/1125479314.db2.gz HRPHJGGTQXKJJX-OAHLLOKOSA-N 1 2 295.386 3.855 20 30 CHEDLO CCC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000343584368 1119463045 /nfs/dbraw/zinc/46/30/45/1119463045.db2.gz VJLTYYURBCNDEZ-AWEZNQCLSA-N 1 2 264.319 3.699 20 30 CHEDLO C[N@H+](Cc1cscc1Cl)Cc1ccc(C#N)cc1 ZINC000611254385 1121632260 /nfs/dbraw/zinc/63/22/60/1121632260.db2.gz AQXMEEAWRKMKEJ-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1cscc1Cl)Cc1ccc(C#N)cc1 ZINC000611254385 1121632262 /nfs/dbraw/zinc/63/22/62/1121632262.db2.gz AQXMEEAWRKMKEJ-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(N)cc1Cl)C1CCCC1 ZINC001233375801 1132612601 /nfs/dbraw/zinc/61/26/01/1132612601.db2.gz BMBDKLUIOQWVHH-UHFFFAOYSA-N 1 2 277.799 3.580 20 30 CHEDLO Cc1ccc(Nc2c(C#N)ccc(F)c2F)c(C)[nH+]1 ZINC001203379973 1132750634 /nfs/dbraw/zinc/75/06/34/1132750634.db2.gz FJXAGWYFDKGGFS-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CC/C=C\CCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208190354 1133903104 /nfs/dbraw/zinc/90/31/04/1133903104.db2.gz NOKBWPQXXJIYIO-JZIMQPMSSA-N 1 2 279.449 3.787 20 30 CHEDLO CC/C=C\CCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208190354 1133903106 /nfs/dbraw/zinc/90/31/06/1133903106.db2.gz NOKBWPQXXJIYIO-JZIMQPMSSA-N 1 2 279.449 3.787 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)cc1F ZINC000072693012 1125634747 /nfs/dbraw/zinc/63/47/47/1125634747.db2.gz NMFQEGBOTZMVRQ-UHFFFAOYSA-N 1 2 287.382 3.849 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1F ZINC000072693012 1125634749 /nfs/dbraw/zinc/63/47/49/1125634749.db2.gz NMFQEGBOTZMVRQ-UHFFFAOYSA-N 1 2 287.382 3.849 20 30 CHEDLO N#CC1(c2cccc(Nc3cccn4cc[nH+]c34)c2)CC1 ZINC001213314313 1125681718 /nfs/dbraw/zinc/68/17/18/1125681718.db2.gz VGAWPXVRBUPSRQ-UHFFFAOYSA-N 1 2 274.327 3.633 20 30 CHEDLO CSc1ccc(C[NH2+][C@H](C)c2cscn2)cc1C#N ZINC000886687867 1125709012 /nfs/dbraw/zinc/70/90/12/1125709012.db2.gz GOBBQFDULCLJLZ-SNVBAGLBSA-N 1 2 289.429 3.587 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000161891210 1125716068 /nfs/dbraw/zinc/71/60/68/1125716068.db2.gz JZYXQRULKDNMRN-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000161891210 1125716072 /nfs/dbraw/zinc/71/60/72/1125716072.db2.gz JZYXQRULKDNMRN-JTQLQIEISA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000093091446 1125763902 /nfs/dbraw/zinc/76/39/02/1125763902.db2.gz RODZEJMUYLIJMK-IUODEOHRSA-N 1 2 258.365 3.529 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000093091446 1125763907 /nfs/dbraw/zinc/76/39/07/1125763907.db2.gz RODZEJMUYLIJMK-IUODEOHRSA-N 1 2 258.365 3.529 20 30 CHEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1SC ZINC000338348439 1126737451 /nfs/dbraw/zinc/73/74/51/1126737451.db2.gz KLURWTSSOKRSBT-GFCCVEGCSA-N 1 2 290.432 3.541 20 30 CHEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1SC ZINC000338348439 1126737452 /nfs/dbraw/zinc/73/74/52/1126737452.db2.gz KLURWTSSOKRSBT-GFCCVEGCSA-N 1 2 290.432 3.541 20 30 CHEDLO C#CC[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000826586114 1126740216 /nfs/dbraw/zinc/74/02/16/1126740216.db2.gz XVMNPBPUVYEHOQ-ZDUSSCGKSA-N 1 2 268.335 3.614 20 30 CHEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000159846283 1126754723 /nfs/dbraw/zinc/75/47/23/1126754723.db2.gz LJONLMQQFLNYSE-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000159846283 1126754725 /nfs/dbraw/zinc/75/47/25/1126754725.db2.gz LJONLMQQFLNYSE-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO CC(C)[C@@H](C#N)Oc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904849485 1126879448 /nfs/dbraw/zinc/87/94/48/1126879448.db2.gz NMZPAZKFCSKAJX-QGZVFWFLSA-N 1 2 295.386 3.742 20 30 CHEDLO Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1[NH+](C)C ZINC000185739949 1126902222 /nfs/dbraw/zinc/90/22/22/1126902222.db2.gz MLPRAZWPEWPPCQ-ZIAGYGMSSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1N(C)C ZINC000185739949 1126902225 /nfs/dbraw/zinc/90/22/25/1126902225.db2.gz MLPRAZWPEWPPCQ-ZIAGYGMSSA-N 1 2 257.381 3.555 20 30 CHEDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)n1 ZINC001238729391 1131239012 /nfs/dbraw/zinc/23/90/12/1131239012.db2.gz SUGJDVAIKCEIHT-ZDUSSCGKSA-N 1 2 291.826 3.984 20 30 CHEDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)n1 ZINC001238729391 1131239016 /nfs/dbraw/zinc/23/90/16/1131239016.db2.gz SUGJDVAIKCEIHT-ZDUSSCGKSA-N 1 2 291.826 3.984 20 30 CHEDLO C(=NOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777460612 1126942379 /nfs/dbraw/zinc/94/23/79/1126942379.db2.gz ZONBPQCLCDVTMO-UHFFFAOYSA-N 1 2 269.348 3.556 20 30 CHEDLO CCCCCCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235911893 1130804586 /nfs/dbraw/zinc/80/45/86/1130804586.db2.gz BGOUBVJIYPTTDZ-QGZVFWFLSA-N 1 2 279.472 3.705 20 30 CHEDLO CCCCCCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235911893 1130804591 /nfs/dbraw/zinc/80/45/91/1130804591.db2.gz BGOUBVJIYPTTDZ-QGZVFWFLSA-N 1 2 279.472 3.705 20 30 CHEDLO N#CCC[N@@H+](Cc1csc(Br)c1)CC1CC1 ZINC000267116502 1126993277 /nfs/dbraw/zinc/99/32/77/1126993277.db2.gz ZFBVVBNEJYYHKP-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CCC[N@H+](Cc1csc(Br)c1)CC1CC1 ZINC000267116502 1126993278 /nfs/dbraw/zinc/99/32/78/1126993278.db2.gz ZFBVVBNEJYYHKP-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)ccc1C#N ZINC000488225439 1127064586 /nfs/dbraw/zinc/06/45/86/1127064586.db2.gz TWFJKKSPLCRNCS-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)ccc1C#N ZINC000488225439 1127064588 /nfs/dbraw/zinc/06/45/88/1127064588.db2.gz TWFJKKSPLCRNCS-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CC1(c2ccccc2)CCOCC1 ZINC000032074521 1127199798 /nfs/dbraw/zinc/19/97/98/1127199798.db2.gz KRIBJZWYGNJBJA-XSFVSMFZSA-N 1 2 295.382 3.560 20 30 CHEDLO Cc1cccc(Cl)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590715616 1127268854 /nfs/dbraw/zinc/26/88/54/1127268854.db2.gz VWAYCOYUDAEXAJ-OAHLLOKOSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590715616 1127268855 /nfs/dbraw/zinc/26/88/55/1127268855.db2.gz VWAYCOYUDAEXAJ-OAHLLOKOSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590715615 1127269053 /nfs/dbraw/zinc/26/90/53/1127269053.db2.gz VWAYCOYUDAEXAJ-HNNXBMFYSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590715615 1127269056 /nfs/dbraw/zinc/26/90/56/1127269056.db2.gz VWAYCOYUDAEXAJ-HNNXBMFYSA-N 1 2 262.784 3.774 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCCC[C@H](F)C2)ccc1Cl ZINC001238189626 1131177227 /nfs/dbraw/zinc/17/72/27/1131177227.db2.gz UJMQJSYEOTVVIF-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccc1Cl ZINC001238189626 1131177228 /nfs/dbraw/zinc/17/72/28/1131177228.db2.gz UJMQJSYEOTVVIF-ZDUSSCGKSA-N 1 2 266.747 3.536 20 30 CHEDLO CC(C)c1cc(C[N@H+](C)CCC#N)ccc1Cl ZINC001238217554 1131182066 /nfs/dbraw/zinc/18/20/66/1131182066.db2.gz HSHNBZBUUIJKMW-UHFFFAOYSA-N 1 2 250.773 3.809 20 30 CHEDLO CC(C)c1cc(C[N@@H+](C)CCC#N)ccc1Cl ZINC001238217554 1131182068 /nfs/dbraw/zinc/18/20/68/1131182068.db2.gz HSHNBZBUUIJKMW-UHFFFAOYSA-N 1 2 250.773 3.809 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000573198977 1127297685 /nfs/dbraw/zinc/29/76/85/1127297685.db2.gz FAHVQSPWAJJIJX-JSGCOSHPSA-N 1 2 295.308 3.713 20 30 CHEDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356058699 1127372688 /nfs/dbraw/zinc/37/26/88/1127372688.db2.gz OQUVPROCJCSHLI-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356058699 1127372692 /nfs/dbraw/zinc/37/26/92/1127372692.db2.gz OQUVPROCJCSHLI-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO CC(C)(C#N)C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000593615215 1127391766 /nfs/dbraw/zinc/39/17/66/1127391766.db2.gz NVKVWDYEWVJPIU-NSHDSACASA-N 1 2 266.747 3.606 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2F)CCCC1 ZINC000593654316 1127392776 /nfs/dbraw/zinc/39/27/76/1127392776.db2.gz AUGYKSWMZDNULM-UHFFFAOYSA-N 1 2 266.747 3.653 20 30 CHEDLO CCCn1c2ccccc2nc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650648 1127393361 /nfs/dbraw/zinc/39/33/61/1127393361.db2.gz WWYIJSMGXOCMOA-UHFFFAOYSA-N 1 2 296.418 3.620 20 30 CHEDLO CC(C)Sc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000358072619 1127401028 /nfs/dbraw/zinc/40/10/28/1127401028.db2.gz YLJAETOOIANUFN-ZDUSSCGKSA-N 1 2 262.422 3.779 20 30 CHEDLO CC(C)Sc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000358072619 1127401030 /nfs/dbraw/zinc/40/10/30/1127401030.db2.gz YLJAETOOIANUFN-ZDUSSCGKSA-N 1 2 262.422 3.779 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(F)c(F)cc2F)CCCCC1 ZINC000594981402 1127443181 /nfs/dbraw/zinc/44/31/81/1127443181.db2.gz OFWPIQXPZHQRCZ-UHFFFAOYSA-N 1 2 282.309 3.668 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000595430185 1127462794 /nfs/dbraw/zinc/46/27/94/1127462794.db2.gz LPTNTMSAENFOAE-UHFFFAOYSA-N 1 2 298.308 3.553 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000595839605 1127477227 /nfs/dbraw/zinc/47/72/27/1127477227.db2.gz KDNQLWZMJCDKHD-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000595839605 1127477230 /nfs/dbraw/zinc/47/72/30/1127477230.db2.gz KDNQLWZMJCDKHD-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000595832657 1127478938 /nfs/dbraw/zinc/47/89/38/1127478938.db2.gz CQPLDTSFTDIANZ-MRXNPFEDSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000595832657 1127478941 /nfs/dbraw/zinc/47/89/41/1127478941.db2.gz CQPLDTSFTDIANZ-MRXNPFEDSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000597229546 1127534738 /nfs/dbraw/zinc/53/47/38/1127534738.db2.gz MEJIJISKLUELSB-KRWDZBQOSA-N 1 2 284.334 3.821 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000597229546 1127534741 /nfs/dbraw/zinc/53/47/41/1127534741.db2.gz MEJIJISKLUELSB-KRWDZBQOSA-N 1 2 284.334 3.821 20 30 CHEDLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000361073631 1127535280 /nfs/dbraw/zinc/53/52/80/1127535280.db2.gz MGYVBOXCNMBAGW-LBPRGKRZSA-N 1 2 266.319 3.774 20 30 CHEDLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000361073631 1127535282 /nfs/dbraw/zinc/53/52/82/1127535282.db2.gz MGYVBOXCNMBAGW-LBPRGKRZSA-N 1 2 266.319 3.774 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)sn1 ZINC000602487404 1127584526 /nfs/dbraw/zinc/58/45/26/1127584526.db2.gz XGGRGXPIMJWCDJ-IAGOWNOFSA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)sn1 ZINC000602487404 1127584529 /nfs/dbraw/zinc/58/45/29/1127584529.db2.gz XGGRGXPIMJWCDJ-IAGOWNOFSA-N 1 2 297.427 3.723 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980076 1127623145 /nfs/dbraw/zinc/62/31/45/1127623145.db2.gz LLCVVUQMRXVQAE-SMDDNHRTSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980076 1127623148 /nfs/dbraw/zinc/62/31/48/1127623148.db2.gz LLCVVUQMRXVQAE-SMDDNHRTSA-N 1 2 266.747 3.603 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000599366209 1127669889 /nfs/dbraw/zinc/66/98/89/1127669889.db2.gz MKJNGGVJMGTUQY-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO COc1cccc2c1C[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000599645011 1127685150 /nfs/dbraw/zinc/68/51/50/1127685150.db2.gz ZDWNVHBKSLPRLW-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1cccc2c1C[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000599645011 1127685151 /nfs/dbraw/zinc/68/51/51/1127685151.db2.gz ZDWNVHBKSLPRLW-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599686502 1127687782 /nfs/dbraw/zinc/68/77/82/1127687782.db2.gz FUGDICKSYGZFNS-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599686502 1127687784 /nfs/dbraw/zinc/68/77/84/1127687784.db2.gz FUGDICKSYGZFNS-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599688210 1127688019 /nfs/dbraw/zinc/68/80/19/1127688019.db2.gz XDWRKHFJTKTQIN-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599688210 1127688022 /nfs/dbraw/zinc/68/80/22/1127688022.db2.gz XDWRKHFJTKTQIN-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104629 1127691113 /nfs/dbraw/zinc/69/11/13/1127691113.db2.gz UQZPPRVYWJTGEI-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104629 1127691115 /nfs/dbraw/zinc/69/11/15/1127691115.db2.gz UQZPPRVYWJTGEI-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO CCc1nc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000604492787 1127707768 /nfs/dbraw/zinc/70/77/68/1127707768.db2.gz OKYHNODTMQAFCJ-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1nc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000604492787 1127707769 /nfs/dbraw/zinc/70/77/69/1127707769.db2.gz OKYHNODTMQAFCJ-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO C=CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000605150367 1127731376 /nfs/dbraw/zinc/73/13/76/1127731376.db2.gz OMEZSBOIPABARN-HNNXBMFYSA-N 1 2 283.774 3.819 20 30 CHEDLO C=CCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000605150367 1127731380 /nfs/dbraw/zinc/73/13/80/1127731380.db2.gz OMEZSBOIPABARN-HNNXBMFYSA-N 1 2 283.774 3.819 20 30 CHEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+]([C@@H](C)CCC#N)C2)c1 ZINC000411695867 1127868574 /nfs/dbraw/zinc/86/85/74/1127868574.db2.gz UALBYERNGPSAJV-BBRMVZONSA-N 1 2 278.346 3.697 20 30 CHEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+]([C@@H](C)CCC#N)C2)c1 ZINC000411695867 1127868576 /nfs/dbraw/zinc/86/85/76/1127868576.db2.gz UALBYERNGPSAJV-BBRMVZONSA-N 1 2 278.346 3.697 20 30 CHEDLO CCCOc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000539862365 1127949648 /nfs/dbraw/zinc/94/96/48/1127949648.db2.gz HTHQASHTVJIUKJ-CQSZACIVSA-N 1 2 272.392 3.599 20 30 CHEDLO CCCOc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000539862365 1127949651 /nfs/dbraw/zinc/94/96/51/1127949651.db2.gz HTHQASHTVJIUKJ-CQSZACIVSA-N 1 2 272.392 3.599 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc(C#N)c1O ZINC000926602361 1128183542 /nfs/dbraw/zinc/18/35/42/1128183542.db2.gz UTFFBOWXFLBGKI-QGZVFWFLSA-N 1 2 295.386 3.517 20 30 CHEDLO CCOc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1F ZINC000494919391 1128212700 /nfs/dbraw/zinc/21/27/00/1128212700.db2.gz HBJWUWNQQRNAEI-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCOc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1F ZINC000494919391 1128212701 /nfs/dbraw/zinc/21/27/01/1128212701.db2.gz HBJWUWNQQRNAEI-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCOc1c(Cl)cccc1C[N@H+](CCC#N)CC1CC1 ZINC000494991676 1128222055 /nfs/dbraw/zinc/22/20/55/1128222055.db2.gz CMUAZIKBBSUECY-UHFFFAOYSA-N 1 2 292.810 3.864 20 30 CHEDLO CCOc1c(Cl)cccc1C[N@@H+](CCC#N)CC1CC1 ZINC000494991676 1128222059 /nfs/dbraw/zinc/22/20/59/1128222059.db2.gz CMUAZIKBBSUECY-UHFFFAOYSA-N 1 2 292.810 3.864 20 30 CHEDLO C#CC[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000762553523 1128307088 /nfs/dbraw/zinc/30/70/88/1128307088.db2.gz VTCFTRMHJFMBRJ-OAHLLOKOSA-N 1 2 275.355 3.750 20 30 CHEDLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774251 1128442550 /nfs/dbraw/zinc/44/25/50/1128442550.db2.gz YZSRWZXCPDSAGX-NSHDSACASA-N 1 2 297.383 3.954 20 30 CHEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774251 1128442551 /nfs/dbraw/zinc/44/25/51/1128442551.db2.gz YZSRWZXCPDSAGX-NSHDSACASA-N 1 2 297.383 3.954 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000130677656 1128500211 /nfs/dbraw/zinc/50/02/11/1128500211.db2.gz XJOAIDLBSXOSSJ-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000130677656 1128500214 /nfs/dbraw/zinc/50/02/14/1128500214.db2.gz XJOAIDLBSXOSSJ-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C=CC[N@H+](Cn1c2ccccc2n(C)c1=S)C(C)C ZINC000917481691 1128500669 /nfs/dbraw/zinc/50/06/69/1128500669.db2.gz VSLJFGXRXYOGOO-UHFFFAOYSA-N 1 2 275.421 3.563 20 30 CHEDLO C=CC[N@@H+](Cn1c2ccccc2n(C)c1=S)C(C)C ZINC000917481691 1128500671 /nfs/dbraw/zinc/50/06/71/1128500671.db2.gz VSLJFGXRXYOGOO-UHFFFAOYSA-N 1 2 275.421 3.563 20 30 CHEDLO N#Cc1cncnc1Nc1ccc([NH2+]CC2CCCC2)cc1 ZINC000564893030 1128516782 /nfs/dbraw/zinc/51/67/82/1128516782.db2.gz HQAGBHNIXRJQEN-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO CC(C)(CC/[NH+]=C/c1ccc(O)c(O)c1O)c1ccccc1 ZINC000920177835 1128670504 /nfs/dbraw/zinc/67/05/04/1128670504.db2.gz LJMXPIJUHWEEDS-XDHOZWIPSA-N 1 2 299.370 3.590 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)o1 ZINC000578307484 1128713897 /nfs/dbraw/zinc/71/38/97/1128713897.db2.gz GHNLFPZPIGPNLW-UHFFFAOYSA-N 1 2 296.301 3.840 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000064571576 1128728375 /nfs/dbraw/zinc/72/83/75/1128728375.db2.gz CPXZCASOPMYROW-JTQLQIEISA-N 1 2 270.348 3.735 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000064571576 1128728378 /nfs/dbraw/zinc/72/83/78/1128728378.db2.gz CPXZCASOPMYROW-JTQLQIEISA-N 1 2 270.348 3.735 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[C@@H]1C#N ZINC000042488890 1117843192 /nfs/dbraw/zinc/84/31/92/1117843192.db2.gz JNRHWOSOGQALOE-MWLCHTKSSA-N 1 2 254.786 3.526 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCC[C@@H]1C#N ZINC000042488890 1117843197 /nfs/dbraw/zinc/84/31/97/1117843197.db2.gz JNRHWOSOGQALOE-MWLCHTKSSA-N 1 2 254.786 3.526 20 30 CHEDLO N#Cc1cccc(C[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000510094107 1117880547 /nfs/dbraw/zinc/88/05/47/1117880547.db2.gz QAZJEEMQEQXCDB-UHFFFAOYSA-N 1 2 264.319 3.616 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2cc(C)ccc2C)[nH+]c1C ZINC000901430931 1128744557 /nfs/dbraw/zinc/74/45/57/1128744557.db2.gz ORMMTQNCOYKJQE-BQYQJAHWSA-N 1 2 254.333 3.539 20 30 CHEDLO Cc1[nH]c(/C=C\C(=O)c2cc(C)ccc2C)[nH+]c1C ZINC000901430932 1128744785 /nfs/dbraw/zinc/74/47/85/1128744785.db2.gz ORMMTQNCOYKJQE-FPLPWBNLSA-N 1 2 254.333 3.539 20 30 CHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000533419091 1117940036 /nfs/dbraw/zinc/94/00/36/1117940036.db2.gz BEQHDOXXBCOAPJ-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000579424247 1128748466 /nfs/dbraw/zinc/74/84/66/1128748466.db2.gz NMEFZMMQPRNAAG-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000579424247 1128748468 /nfs/dbraw/zinc/74/84/68/1128748468.db2.gz NMEFZMMQPRNAAG-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1ccc(CCC[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000181942969 1118010273 /nfs/dbraw/zinc/01/02/73/1118010273.db2.gz VAVQLBVBKNOZKR-UHFFFAOYSA-N 1 2 282.387 3.937 20 30 CHEDLO Cc1ccc(CCC[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000181942969 1118010275 /nfs/dbraw/zinc/01/02/75/1118010275.db2.gz VAVQLBVBKNOZKR-UHFFFAOYSA-N 1 2 282.387 3.937 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1c(C)nn(CCCC)c1Cl ZINC000779151233 1128753496 /nfs/dbraw/zinc/75/34/96/1128753496.db2.gz VZELSUPHDYEPAB-UHFFFAOYSA-N 1 2 269.820 3.653 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1c(C)nn(CCCC)c1Cl ZINC000779151233 1128753498 /nfs/dbraw/zinc/75/34/98/1128753498.db2.gz VZELSUPHDYEPAB-UHFFFAOYSA-N 1 2 269.820 3.653 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2[nH]c(C)c(C)[nH+]2)s1 ZINC000901444307 1128765140 /nfs/dbraw/zinc/76/51/40/1128765140.db2.gz WRJCBVOEQYPMDD-VURMDHGXSA-N 1 2 260.362 3.547 20 30 CHEDLO C=C(C)c1ccccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362520 1118266813 /nfs/dbraw/zinc/26/68/13/1118266813.db2.gz MWGSDDMVPWKKCQ-UHFFFAOYSA-N 1 2 295.386 3.695 20 30 CHEDLO C=CCSCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000180199265 1128780775 /nfs/dbraw/zinc/78/07/75/1128780775.db2.gz BMVXNSIRLZUPLL-SFQUDFHCSA-N 1 2 271.385 3.884 20 30 CHEDLO COc1ccc(C)cc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000255271060 1118542098 /nfs/dbraw/zinc/54/20/98/1118542098.db2.gz YRYFIMMTYJNMJM-FPLPWBNLSA-N 1 2 292.338 3.547 20 30 CHEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000068612164 1128787157 /nfs/dbraw/zinc/78/71/57/1128787157.db2.gz KHZOGHFYRYBCEM-OAHLLOKOSA-N 1 2 280.371 3.657 20 30 CHEDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000130094749 1118687457 /nfs/dbraw/zinc/68/74/57/1118687457.db2.gz OYYCOGCUEMXRHH-QGZVFWFLSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000130094749 1118687458 /nfs/dbraw/zinc/68/74/58/1118687458.db2.gz OYYCOGCUEMXRHH-QGZVFWFLSA-N 1 2 283.350 3.675 20 30 CHEDLO Cc1ccc(CC[N@H+](CCC#N)Cc2cccnc2)cc1C ZINC000891458520 1118689128 /nfs/dbraw/zinc/68/91/28/1118689128.db2.gz YSWBCSFPNCDYIM-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO Cc1ccc(CC[N@@H+](CCC#N)Cc2cccnc2)cc1C ZINC000891458520 1118689130 /nfs/dbraw/zinc/68/91/30/1118689130.db2.gz YSWBCSFPNCDYIM-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891934478 1118854744 /nfs/dbraw/zinc/85/47/44/1118854744.db2.gz UKHXMZOOULXWBB-AWEZNQCLSA-N 1 2 281.359 3.608 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891934478 1118854749 /nfs/dbraw/zinc/85/47/49/1118854749.db2.gz UKHXMZOOULXWBB-AWEZNQCLSA-N 1 2 281.359 3.608 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1csc(C#N)c1 ZINC000891937290 1118857225 /nfs/dbraw/zinc/85/72/25/1118857225.db2.gz GCASDOVKDSNFQP-UHFFFAOYSA-N 1 2 275.421 3.772 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1csc(C#N)c1 ZINC000891937290 1118857233 /nfs/dbraw/zinc/85/72/33/1118857233.db2.gz GCASDOVKDSNFQP-UHFFFAOYSA-N 1 2 275.421 3.772 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1coc2ccccc12 ZINC000255440642 1118942611 /nfs/dbraw/zinc/94/26/11/1118942611.db2.gz WWVYDCVPGZYKLC-HJWRWDBZSA-N 1 2 288.306 3.977 20 30 CHEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000158129244 1119060838 /nfs/dbraw/zinc/06/08/38/1119060838.db2.gz ZIAHVBJHLJICNA-UHFFFAOYSA-N 1 2 298.415 3.617 20 30 CHEDLO COc1cccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c1 ZINC000255512730 1119114273 /nfs/dbraw/zinc/11/42/73/1119114273.db2.gz QURUGAFENAZIMG-FPLPWBNLSA-N 1 2 292.338 3.547 20 30 CHEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069610436 1119131469 /nfs/dbraw/zinc/13/14/69/1119131469.db2.gz RDSORRGKTKMUBY-CYBMUJFWSA-N 1 2 296.208 3.741 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069610436 1119131473 /nfs/dbraw/zinc/13/14/73/1119131473.db2.gz RDSORRGKTKMUBY-CYBMUJFWSA-N 1 2 296.208 3.741 20 30 CHEDLO N#Cc1ccccc1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001167634072 1119249251 /nfs/dbraw/zinc/24/92/51/1119249251.db2.gz STSURKRBPPAXQG-UHFFFAOYSA-N 1 2 277.302 3.858 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1F ZINC000044438782 1119325428 /nfs/dbraw/zinc/32/54/28/1119325428.db2.gz FUNSNNMVMKMOHF-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1F ZINC000044438782 1119325429 /nfs/dbraw/zinc/32/54/29/1119325429.db2.gz FUNSNNMVMKMOHF-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000127683958 1119369120 /nfs/dbraw/zinc/36/91/20/1119369120.db2.gz XUPPWZHTZJQYDF-UHFFFAOYSA-N 1 2 288.725 3.677 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000127683958 1119369122 /nfs/dbraw/zinc/36/91/22/1119369122.db2.gz XUPPWZHTZJQYDF-UHFFFAOYSA-N 1 2 288.725 3.677 20 30 CHEDLO C=CC[N@@H+](Cc1csc(CCCC)n1)[C@H](C)COC ZINC000661244562 1119418384 /nfs/dbraw/zinc/41/83/84/1119418384.db2.gz VEYXQFUMSKVOCH-CYBMUJFWSA-N 1 2 282.453 3.509 20 30 CHEDLO C=CC[N@H+](Cc1csc(CCCC)n1)[C@H](C)COC ZINC000661244562 1119418387 /nfs/dbraw/zinc/41/83/87/1119418387.db2.gz VEYXQFUMSKVOCH-CYBMUJFWSA-N 1 2 282.453 3.509 20 30 CHEDLO N#CCC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134855661 1119490695 /nfs/dbraw/zinc/49/06/95/1119490695.db2.gz DSDYGWBQONMHJZ-UHFFFAOYSA-N 1 2 280.824 3.810 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(F)cc1F ZINC000255773398 1119743762 /nfs/dbraw/zinc/74/37/62/1119743762.db2.gz NUOHVRVDAZSMQC-ALCCZGGFSA-N 1 2 284.265 3.509 20 30 CHEDLO CC[N@@H+](Cc1cc(C)ccc1OC(F)F)C[C@H](C)C#N ZINC000091984034 1119767073 /nfs/dbraw/zinc/76/70/73/1119767073.db2.gz RTLMMTNTSPEDOM-GFCCVEGCSA-N 1 2 282.334 3.578 20 30 CHEDLO CC[N@H+](Cc1cc(C)ccc1OC(F)F)C[C@H](C)C#N ZINC000091984034 1119767074 /nfs/dbraw/zinc/76/70/74/1119767074.db2.gz RTLMMTNTSPEDOM-GFCCVEGCSA-N 1 2 282.334 3.578 20 30 CHEDLO COc1cccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c1 ZINC000255864605 1119782322 /nfs/dbraw/zinc/78/23/22/1119782322.db2.gz FNXQZSQGLBVNCE-HJWRWDBZSA-N 1 2 292.338 3.547 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(cc(F)cc2F)C1=O ZINC000901487018 1128878145 /nfs/dbraw/zinc/87/81/45/1128878145.db2.gz WROXHMRZDOPEGZ-XCVCLJGOSA-N 1 2 288.297 3.565 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1C#N ZINC001137704527 1119963485 /nfs/dbraw/zinc/96/34/85/1119963485.db2.gz JVEXSVLALJMFPI-UHFFFAOYSA-N 1 2 292.382 3.755 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1C#N ZINC001137704527 1119963487 /nfs/dbraw/zinc/96/34/87/1119963487.db2.gz JVEXSVLALJMFPI-UHFFFAOYSA-N 1 2 292.382 3.755 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143469497 1119969053 /nfs/dbraw/zinc/96/90/53/1119969053.db2.gz VRGBTVJOSMICRZ-GFCCVEGCSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143469497 1119969055 /nfs/dbraw/zinc/96/90/55/1119969055.db2.gz VRGBTVJOSMICRZ-GFCCVEGCSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(C)cc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000180313727 1119981059 /nfs/dbraw/zinc/98/10/59/1119981059.db2.gz NVZZAWOQNPISRN-VOTSOKGWSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(OC(F)(F)F)c1 ZINC001143471494 1119991144 /nfs/dbraw/zinc/99/11/44/1119991144.db2.gz IIPDZGRWPXNJLS-AWEZNQCLSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(OC(F)(F)F)c1 ZINC001143471494 1119991148 /nfs/dbraw/zinc/99/11/48/1119991148.db2.gz IIPDZGRWPXNJLS-AWEZNQCLSA-N 1 2 298.308 3.629 20 30 CHEDLO CSc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC001167708609 1120050576 /nfs/dbraw/zinc/05/05/76/1120050576.db2.gz ISSNNAVWZOMSMI-JTQLQIEISA-N 1 2 284.388 3.552 20 30 CHEDLO N#CC[N@H+](CC/C=C/c1ccccc1)C1CCCC1 ZINC000323368976 1120114760 /nfs/dbraw/zinc/11/47/60/1120114760.db2.gz FBSYPHPYPSPURB-UXBLZVDNSA-N 1 2 254.377 3.858 20 30 CHEDLO N#CC[N@@H+](CC/C=C/c1ccccc1)C1CCCC1 ZINC000323368976 1120114764 /nfs/dbraw/zinc/11/47/64/1120114764.db2.gz FBSYPHPYPSPURB-UXBLZVDNSA-N 1 2 254.377 3.858 20 30 CHEDLO C=CC[N@H+](Cc1cc(C2CC2)no1)Cc1cccs1 ZINC000659815485 1120115589 /nfs/dbraw/zinc/11/55/89/1120115589.db2.gz GCNPFSBIBMUWDH-UHFFFAOYSA-N 1 2 274.389 3.802 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C2CC2)no1)Cc1cccs1 ZINC000659815485 1120115593 /nfs/dbraw/zinc/11/55/93/1120115593.db2.gz GCNPFSBIBMUWDH-UHFFFAOYSA-N 1 2 274.389 3.802 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236796337 1128892115 /nfs/dbraw/zinc/89/21/15/1128892115.db2.gz OFMNUGGGBFQOGY-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000613666824 1120158319 /nfs/dbraw/zinc/15/83/19/1120158319.db2.gz BAIASMWWXSFIOC-QLFBSQMISA-N 1 2 278.346 3.535 20 30 CHEDLO CC[C@@H](C)C[C@@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168688855 1120253622 /nfs/dbraw/zinc/25/36/22/1120253622.db2.gz FBIINJBBSODRTB-CHWSQXEVSA-N 1 2 257.381 3.873 20 30 CHEDLO CC(C)(C)Oc1cc[nH+]cc1NCc1csc(C#N)c1 ZINC000921929157 1120286860 /nfs/dbraw/zinc/28/68/60/1120286860.db2.gz FBJAHKCWVFSRON-UHFFFAOYSA-N 1 2 287.388 3.804 20 30 CHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000255231772 1120345148 /nfs/dbraw/zinc/34/51/48/1120345148.db2.gz HGLPLUWPCRAWEG-TWGQIWQCSA-N 1 2 292.338 3.547 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000310019857 1120401123 /nfs/dbraw/zinc/40/11/23/1120401123.db2.gz MPSHSOSQIMPJOX-LLVKDONJSA-N 1 2 260.164 3.839 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000660221193 1120449752 /nfs/dbraw/zinc/44/97/52/1120449752.db2.gz MXNLXNORIWHANX-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000660221193 1120449755 /nfs/dbraw/zinc/44/97/55/1120449755.db2.gz MXNLXNORIWHANX-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO C=CC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428920916 1120568537 /nfs/dbraw/zinc/56/85/37/1120568537.db2.gz AQFOGMRTUBGLQM-RISCZKNCSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428920916 1120568540 /nfs/dbraw/zinc/56/85/40/1120568540.db2.gz AQFOGMRTUBGLQM-RISCZKNCSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@H+](Cc1noc(-c2ccsc2)n1)C(C)(C)C ZINC000661754893 1120973541 /nfs/dbraw/zinc/97/35/41/1120973541.db2.gz FVJYDCKIFNGTRX-UHFFFAOYSA-N 1 2 277.393 3.585 20 30 CHEDLO C=CC[N@@H+](Cc1noc(-c2ccsc2)n1)C(C)(C)C ZINC000661754893 1120973544 /nfs/dbraw/zinc/97/35/44/1120973544.db2.gz FVJYDCKIFNGTRX-UHFFFAOYSA-N 1 2 277.393 3.585 20 30 CHEDLO C=CC[C@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000625702034 1121060297 /nfs/dbraw/zinc/06/02/97/1121060297.db2.gz MOXFIHMBLOUUHU-VIFPVBQESA-N 1 2 276.327 3.560 20 30 CHEDLO C=CC[C@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000625702034 1121060303 /nfs/dbraw/zinc/06/03/03/1121060303.db2.gz MOXFIHMBLOUUHU-VIFPVBQESA-N 1 2 276.327 3.560 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000351140493 1121078454 /nfs/dbraw/zinc/07/84/54/1121078454.db2.gz HBBRIJZRWVIHNM-UHFFFAOYSA-N 1 2 262.378 3.719 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000351140493 1121078461 /nfs/dbraw/zinc/07/84/61/1121078461.db2.gz HBBRIJZRWVIHNM-UHFFFAOYSA-N 1 2 262.378 3.719 20 30 CHEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000619535441 1128996213 /nfs/dbraw/zinc/99/62/13/1128996213.db2.gz GQTQTWNVEJBWIQ-LLVKDONJSA-N 1 2 278.783 3.521 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccs1 ZINC000730148395 1121794277 /nfs/dbraw/zinc/79/42/77/1121794277.db2.gz SSEUACBVXORAHR-UHFFFAOYSA-N 1 2 267.357 3.554 20 30 CHEDLO CCOc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000345377649 1121878859 /nfs/dbraw/zinc/87/88/59/1121878859.db2.gz BVJFDPFDWCUPHQ-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000345377649 1121878868 /nfs/dbraw/zinc/87/88/68/1121878868.db2.gz BVJFDPFDWCUPHQ-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO C=CCCC(C)(C)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000631684506 1129021853 /nfs/dbraw/zinc/02/18/53/1129021853.db2.gz SBQBLELYVHRRJC-ZDUSSCGKSA-N 1 2 290.436 3.538 20 30 CHEDLO CCCCCCC[C@H](C)C(=O)NCCOc1cc[nH+]cc1 ZINC001181135476 1122040231 /nfs/dbraw/zinc/04/02/31/1122040231.db2.gz YDHOTQVTQCIGEQ-HNNXBMFYSA-N 1 2 292.423 3.573 20 30 CHEDLO C#CCCCCCCCCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001182185492 1122117509 /nfs/dbraw/zinc/11/75/09/1122117509.db2.gz GEQJRAVYCQYULJ-UHFFFAOYSA-N 1 2 298.430 3.685 20 30 CHEDLO N#Cc1cccc(Cl)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184967970 1122304509 /nfs/dbraw/zinc/30/45/09/1122304509.db2.gz HSHQDCDQJVOSNE-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000775152508 1122446542 /nfs/dbraw/zinc/44/65/42/1122446542.db2.gz NHZDXKUMDSEOTM-QWRGUYRKSA-N 1 2 298.224 3.845 20 30 CHEDLO N#CCC[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000514825421 1122455332 /nfs/dbraw/zinc/45/53/32/1122455332.db2.gz UNLHCTCGXPUPKO-KRWDZBQOSA-N 1 2 278.355 3.680 20 30 CHEDLO CC(C)c1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000775337314 1122522139 /nfs/dbraw/zinc/52/21/39/1122522139.db2.gz DDCPCCCCYWKBHW-LBPRGKRZSA-N 1 2 269.348 3.520 20 30 CHEDLO C=C(C)Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001190216995 1122530325 /nfs/dbraw/zinc/53/03/25/1122530325.db2.gz OFBAHVLCHLJYMC-UHFFFAOYSA-N 1 2 291.354 3.705 20 30 CHEDLO CCCCCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287670826 1122582984 /nfs/dbraw/zinc/58/29/84/1122582984.db2.gz INXZMZOFXFOBBB-UHFFFAOYSA-N 1 2 279.428 3.599 20 30 CHEDLO Cc1cc(CNc2cccc(CC#N)c2)c2c([nH+]1)CCCC2 ZINC000894768245 1122902175 /nfs/dbraw/zinc/90/21/75/1122902175.db2.gz TUSBEDGOFOJFFY-UHFFFAOYSA-N 1 2 291.398 3.947 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000334427528 1123009500 /nfs/dbraw/zinc/00/95/00/1123009500.db2.gz XDMBVEOUKBTAPC-NSHDSACASA-N 1 2 275.377 3.511 20 30 CHEDLO N#Cc1cc(Cl)c(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201283847 1123081270 /nfs/dbraw/zinc/08/12/70/1123081270.db2.gz HEIOYKJKOFPAIQ-UHFFFAOYSA-N 1 2 279.130 3.586 20 30 CHEDLO CC(C)c1cc(N2CCC(F)(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000343234933 1123090846 /nfs/dbraw/zinc/09/08/46/1123090846.db2.gz CWJWWBWMVQEJHM-UHFFFAOYSA-N 1 2 290.386 3.555 20 30 CHEDLO CCOc1cc(Nc2ccc(C#N)cc2F)cc(C)[nH+]1 ZINC001201561410 1123124254 /nfs/dbraw/zinc/12/42/54/1123124254.db2.gz IWXDFCQLAGJWHO-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO CC(C)c1c[nH]c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000895055890 1123127871 /nfs/dbraw/zinc/12/78/71/1123127871.db2.gz YKSCLWKGMRLRKD-ZDUSSCGKSA-N 1 2 282.391 3.598 20 30 CHEDLO CC(C)c1c[nH]c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000895055890 1123127872 /nfs/dbraw/zinc/12/78/72/1123127872.db2.gz YKSCLWKGMRLRKD-ZDUSSCGKSA-N 1 2 282.391 3.598 20 30 CHEDLO C[C@H](C/[NH+]=C/c1ccccc1O)COCc1ccccc1 ZINC000193686050 1129105092 /nfs/dbraw/zinc/10/50/92/1129105092.db2.gz DIIWVYYCCWIMHJ-IYSPOMMRSA-N 1 2 283.371 3.664 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000183832704 1129108807 /nfs/dbraw/zinc/10/88/07/1129108807.db2.gz JUUWKFSAKVTRDR-MRVPVSSYSA-N 1 2 276.689 3.608 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccnc(Cl)c2Cl)CCCCC1 ZINC000850391679 1123261693 /nfs/dbraw/zinc/26/16/93/1123261693.db2.gz WRGOVDSFHDUFJW-UHFFFAOYSA-N 1 2 298.217 3.952 20 30 CHEDLO CC1(C)OCC[C@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000852998739 1123417888 /nfs/dbraw/zinc/41/78/88/1123417888.db2.gz QRVLYOUTGGINDY-YQNUULROSA-N 1 2 283.371 3.779 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C(C)(C)C)oc1=S ZINC000853598886 1123443766 /nfs/dbraw/zinc/44/37/66/1123443766.db2.gz XYUPYRCDDBALHU-TXEJJXNPSA-N 1 2 293.436 3.644 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C(C)(C)C)oc1=S ZINC000853598886 1123443769 /nfs/dbraw/zinc/44/37/69/1123443769.db2.gz XYUPYRCDDBALHU-TXEJJXNPSA-N 1 2 293.436 3.644 20 30 CHEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc2ccccc21 ZINC000896502170 1123591054 /nfs/dbraw/zinc/59/10/54/1123591054.db2.gz DGLAIDNMWGASAS-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc2ccccc21 ZINC000896502170 1123591059 /nfs/dbraw/zinc/59/10/59/1123591059.db2.gz DGLAIDNMWGASAS-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000896506037 1123591338 /nfs/dbraw/zinc/59/13/38/1123591338.db2.gz RZOUPFZZCWIDHD-AWEZNQCLSA-N 1 2 266.344 3.682 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000896506037 1123591341 /nfs/dbraw/zinc/59/13/41/1123591341.db2.gz RZOUPFZZCWIDHD-AWEZNQCLSA-N 1 2 266.344 3.682 20 30 CHEDLO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857974365 1123627666 /nfs/dbraw/zinc/62/76/66/1123627666.db2.gz GTNWNWNNYPKOKZ-GJZGRUSLSA-N 1 2 291.439 3.831 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1ncc(Cl)c1C ZINC000794650324 1123924693 /nfs/dbraw/zinc/92/46/93/1123924693.db2.gz IXUOEFNQYIUZKZ-UHFFFAOYSA-N 1 2 289.810 3.881 20 30 CHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1ncc(Cl)c1C ZINC000794650324 1123924695 /nfs/dbraw/zinc/92/46/95/1123924695.db2.gz IXUOEFNQYIUZKZ-UHFFFAOYSA-N 1 2 289.810 3.881 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccccc1C#N ZINC000610004542 1124031975 /nfs/dbraw/zinc/03/19/75/1124031975.db2.gz OXKNHLWPXSEVQR-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccccc1C#N ZINC000610004542 1124031981 /nfs/dbraw/zinc/03/19/81/1124031981.db2.gz OXKNHLWPXSEVQR-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1cccc(C#N)c1O ZINC000866211658 1124037907 /nfs/dbraw/zinc/03/79/07/1124037907.db2.gz GEWBDCZCPOMRCG-ACJLOTCBSA-N 1 2 292.382 3.992 20 30 CHEDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428368619 1124041782 /nfs/dbraw/zinc/04/17/82/1124041782.db2.gz FKKJYDNGMPVCCJ-GFCCVEGCSA-N 1 2 284.334 3.596 20 30 CHEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428368619 1124041787 /nfs/dbraw/zinc/04/17/87/1124041787.db2.gz FKKJYDNGMPVCCJ-GFCCVEGCSA-N 1 2 284.334 3.596 20 30 CHEDLO COc1ccccc1C(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000428371796 1124043827 /nfs/dbraw/zinc/04/38/27/1124043827.db2.gz GSLOIRDNHUOZHW-UHFFFAOYSA-N 1 2 298.361 3.731 20 30 CHEDLO C[C@@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)c1ccccc1 ZINC000444720331 1124057857 /nfs/dbraw/zinc/05/78/57/1124057857.db2.gz SQSWIBQOZGOWEJ-GOEBONIOSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)c1ccccc1 ZINC000444720331 1124057860 /nfs/dbraw/zinc/05/78/60/1124057860.db2.gz SQSWIBQOZGOWEJ-GOEBONIOSA-N 1 2 256.393 3.804 20 30 CHEDLO CC[N@H+](Cc1cccs1)Cc1cccc(F)c1C#N ZINC000428468418 1124131907 /nfs/dbraw/zinc/13/19/07/1124131907.db2.gz OKDAWXBNJHHLLM-UHFFFAOYSA-N 1 2 274.364 3.781 20 30 CHEDLO CC[N@@H+](Cc1cccs1)Cc1cccc(F)c1C#N ZINC000428468418 1124131908 /nfs/dbraw/zinc/13/19/08/1124131908.db2.gz OKDAWXBNJHHLLM-UHFFFAOYSA-N 1 2 274.364 3.781 20 30 CHEDLO CC[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(C#N)c1O ZINC000925192985 1124455307 /nfs/dbraw/zinc/45/53/07/1124455307.db2.gz XYWZOCIQQSPAHV-GFCCVEGCSA-N 1 2 286.297 3.647 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2ccccc2c(OC)c1 ZINC000449008287 1124631725 /nfs/dbraw/zinc/63/17/25/1124631725.db2.gz ITPTYTAXKSOJGW-UHFFFAOYSA-N 1 2 268.360 3.584 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2ccccc2c(OC)c1 ZINC000449008287 1124631726 /nfs/dbraw/zinc/63/17/26/1124631726.db2.gz ITPTYTAXKSOJGW-UHFFFAOYSA-N 1 2 268.360 3.584 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1C ZINC000820605705 1131296446 /nfs/dbraw/zinc/29/64/46/1131296446.db2.gz UNEDGJLDDKFQFE-UHFFFAOYSA-N 1 2 280.371 3.794 20 30 CHEDLO CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821028736 1131316072 /nfs/dbraw/zinc/31/60/72/1131316072.db2.gz VWNABOYSZZOMPZ-ONNFQVAWSA-N 1 2 280.371 3.857 20 30 CHEDLO Nc1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)c[nH+]1 ZINC000821030717 1131316202 /nfs/dbraw/zinc/31/62/02/1131316202.db2.gz BFRDAEZXRMELIN-RJRFIUFISA-N 1 2 298.729 3.960 20 30 CHEDLO C[C@@H](CCC#N)CNc1ccc([NH+]2CCCC2)cc1 ZINC000876820176 1124980972 /nfs/dbraw/zinc/98/09/72/1124980972.db2.gz LUAHSWGEZFRQOJ-AWEZNQCLSA-N 1 2 257.381 3.639 20 30 CHEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000876820176 1124980979 /nfs/dbraw/zinc/98/09/79/1124980979.db2.gz LUAHSWGEZFRQOJ-AWEZNQCLSA-N 1 2 257.381 3.639 20 30 CHEDLO Cc1cccc(Cl)c1C[N@H+](CCC#N)CC1CC1 ZINC000450463934 1125036632 /nfs/dbraw/zinc/03/66/32/1125036632.db2.gz UFNBZVVFFSSBBS-UHFFFAOYSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1cccc(Cl)c1C[N@@H+](CCC#N)CC1CC1 ZINC000450463934 1125036638 /nfs/dbraw/zinc/03/66/38/1125036638.db2.gz UFNBZVVFFSSBBS-UHFFFAOYSA-N 1 2 262.784 3.774 20 30 CHEDLO Cc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001239491484 1131344725 /nfs/dbraw/zinc/34/47/25/1131344725.db2.gz XHFBYVJCWSJFPY-XDHOZWIPSA-N 1 2 263.344 3.755 20 30 CHEDLO CC#CCC[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626135540 1125299001 /nfs/dbraw/zinc/29/90/01/1125299001.db2.gz CBVITLWRHLTWPC-OAHLLOKOSA-N 1 2 265.347 3.598 20 30 CHEDLO CC#CCC[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626135540 1125299005 /nfs/dbraw/zinc/29/90/05/1125299005.db2.gz CBVITLWRHLTWPC-OAHLLOKOSA-N 1 2 265.347 3.598 20 30 CHEDLO C=CC[N@@H+](CCOC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000191136041 1125322988 /nfs/dbraw/zinc/32/29/88/1125322988.db2.gz KAQAXFYEBYRQTG-CQSZACIVSA-N 1 2 286.375 3.537 20 30 CHEDLO C=CC[N@H+](CCOC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000191136041 1125322993 /nfs/dbraw/zinc/32/29/93/1125322993.db2.gz KAQAXFYEBYRQTG-CQSZACIVSA-N 1 2 286.375 3.537 20 30 CHEDLO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c[nH+]c1C ZINC000883341878 1125398623 /nfs/dbraw/zinc/39/86/23/1125398623.db2.gz CQCLZCSXDXXNGR-CYBMUJFWSA-N 1 2 251.333 3.743 20 30 CHEDLO Cc1cc(N[C@H](C)c2cccc(C#N)c2)c[nH+]c1C ZINC000883341962 1125398826 /nfs/dbraw/zinc/39/88/26/1125398826.db2.gz FWPAFGJSPHNNHG-CYBMUJFWSA-N 1 2 251.333 3.743 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000042256225 1125440175 /nfs/dbraw/zinc/44/01/75/1125440175.db2.gz RAWISGKUZYUBRT-UHFFFAOYSA-N 1 2 257.164 3.729 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000042256225 1125440178 /nfs/dbraw/zinc/44/01/78/1125440178.db2.gz RAWISGKUZYUBRT-UHFFFAOYSA-N 1 2 257.164 3.729 20 30 CHEDLO C=C(Br)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000133319893 1125445159 /nfs/dbraw/zinc/44/51/59/1125445159.db2.gz RRCFVLPIDWUWJO-MRVPVSSYSA-N 1 2 276.124 3.524 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000133412249 1125455565 /nfs/dbraw/zinc/45/55/65/1125455565.db2.gz ARNXTNNFTJJCLM-LLVKDONJSA-N 1 2 270.829 3.767 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000133412249 1125455569 /nfs/dbraw/zinc/45/55/69/1125455569.db2.gz ARNXTNNFTJJCLM-LLVKDONJSA-N 1 2 270.829 3.767 20 30 CHEDLO N#CCC[N@H+](CCCCOc1ccccc1)Cc1ccco1 ZINC000081517403 1129238361 /nfs/dbraw/zinc/23/83/61/1129238361.db2.gz YMYXJJYTQNWGSR-UHFFFAOYSA-N 1 2 298.386 3.854 20 30 CHEDLO N#CCC[N@@H+](CCCCOc1ccccc1)Cc1ccco1 ZINC000081517403 1129238363 /nfs/dbraw/zinc/23/83/63/1129238363.db2.gz YMYXJJYTQNWGSR-UHFFFAOYSA-N 1 2 298.386 3.854 20 30 CHEDLO CCOC(=O)C[C@@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000089574580 1129240122 /nfs/dbraw/zinc/24/01/22/1129240122.db2.gz SCGYEPZNEAVGOD-KZKLBEMASA-N 1 2 299.370 3.554 20 30 CHEDLO C=C(Br)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000735169441 1129333753 /nfs/dbraw/zinc/33/37/53/1129333753.db2.gz UGDUVNHHLNORRU-UHFFFAOYSA-N 1 2 298.199 3.741 20 30 CHEDLO C=C(Br)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000735169441 1129333758 /nfs/dbraw/zinc/33/37/58/1129333758.db2.gz UGDUVNHHLNORRU-UHFFFAOYSA-N 1 2 298.199 3.741 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735561755 1129351595 /nfs/dbraw/zinc/35/15/95/1129351595.db2.gz DAGHRVKYPABKBK-ZDUSSCGKSA-N 1 2 253.798 3.529 20 30 CHEDLO C=C(Cl)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735561755 1129351599 /nfs/dbraw/zinc/35/15/99/1129351599.db2.gz DAGHRVKYPABKBK-ZDUSSCGKSA-N 1 2 253.798 3.529 20 30 CHEDLO Cc1ccsc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000740765841 1129419027 /nfs/dbraw/zinc/41/90/27/1129419027.db2.gz WUHOJVNVVDVTFF-AATRIKPKSA-N 1 2 268.341 3.600 20 30 CHEDLO Cc1cccc2c(CC/[NH+]=C/c3cccc(O)c3O)c[nH]c21 ZINC000741466485 1129437042 /nfs/dbraw/zinc/43/70/42/1129437042.db2.gz TUFKXOOFFSOPLN-VXLYETTFSA-N 1 2 294.354 3.549 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cccs1 ZINC000737445261 1129450752 /nfs/dbraw/zinc/45/07/52/1129450752.db2.gz ZFGIGZNCGVBSHJ-SNAWJCMRSA-N 1 2 288.759 3.945 20 30 CHEDLO Fc1cccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC000743443111 1129523563 /nfs/dbraw/zinc/52/35/63/1129523563.db2.gz RCJDMDITQRIIJK-UHFFFAOYSA-N 1 2 298.296 3.597 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000743876390 1129543132 /nfs/dbraw/zinc/54/31/32/1129543132.db2.gz ZKFDTJGZDZTRLK-JQWIXIFHSA-N 1 2 284.197 3.961 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000743876390 1129543135 /nfs/dbraw/zinc/54/31/35/1129543135.db2.gz ZKFDTJGZDZTRLK-JQWIXIFHSA-N 1 2 284.197 3.961 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC001137653285 1131391562 /nfs/dbraw/zinc/39/15/62/1131391562.db2.gz HGLVWCGUOABQQW-UHFFFAOYSA-N 1 2 254.736 3.605 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC001137653285 1131391568 /nfs/dbraw/zinc/39/15/68/1131391568.db2.gz HGLVWCGUOABQQW-UHFFFAOYSA-N 1 2 254.736 3.605 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCCCc2ccccc2)c1 ZINC000798068571 1129728892 /nfs/dbraw/zinc/72/88/92/1129728892.db2.gz QLJBTOIJGSSQFX-RGEXLXHISA-N 1 2 283.371 3.843 20 30 CHEDLO N#CCc1ccc(NCCc2coc3ccccc23)[nH+]c1 ZINC001169591975 1129739617 /nfs/dbraw/zinc/73/96/17/1129739617.db2.gz QSZRBTRQOFPWQX-UHFFFAOYSA-N 1 2 277.327 3.548 20 30 CHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2)s1)C(C)C ZINC000766757895 1129739765 /nfs/dbraw/zinc/73/97/65/1129739765.db2.gz NZWQXOFZNVDKQH-UHFFFAOYSA-N 1 2 273.405 3.602 20 30 CHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2)s1)C(C)C ZINC000766757895 1129739768 /nfs/dbraw/zinc/73/97/68/1129739768.db2.gz NZWQXOFZNVDKQH-UHFFFAOYSA-N 1 2 273.405 3.602 20 30 CHEDLO C=CC[N@@H+](Cc1cc(O)ccc1Br)C(C)C ZINC000768547414 1129864739 /nfs/dbraw/zinc/86/47/39/1129864739.db2.gz LPEFEZYSMSOAES-UHFFFAOYSA-N 1 2 284.197 3.551 20 30 CHEDLO C=CC[N@H+](Cc1cc(O)ccc1Br)C(C)C ZINC000768547414 1129864733 /nfs/dbraw/zinc/86/47/33/1129864733.db2.gz LPEFEZYSMSOAES-UHFFFAOYSA-N 1 2 284.197 3.551 20 30 CHEDLO CCOc1cccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000769609452 1129919053 /nfs/dbraw/zinc/91/90/53/1129919053.db2.gz JOEXHTXAJJCILS-MDZDMXLPSA-N 1 2 292.338 3.629 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(C)c(C)c2)[nH+]c1C ZINC000901417334 1129922838 /nfs/dbraw/zinc/92/28/38/1129922838.db2.gz NHQRDBKAIOJTRO-BQYQJAHWSA-N 1 2 254.333 3.539 20 30 CHEDLO Cc1ccc(C)c(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901429889 1129924353 /nfs/dbraw/zinc/92/43/53/1129924353.db2.gz FHWAPGSMLIXLGU-BQYQJAHWSA-N 1 2 268.360 3.977 20 30 CHEDLO CCCOc1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000901437695 1129925514 /nfs/dbraw/zinc/92/55/14/1129925514.db2.gz JZAFRVPTYFYZHP-MDZDMXLPSA-N 1 2 284.359 3.711 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2sccc2C1=O ZINC000901466659 1129927783 /nfs/dbraw/zinc/92/77/83/1129927783.db2.gz CDJILMQRCVLLGU-XFFZJAGNSA-N 1 2 272.373 3.738 20 30 CHEDLO CC(=[NH+]Nc1c(C)cccc1F)c1ccc(N)cc1C ZINC000769839662 1129928139 /nfs/dbraw/zinc/92/81/39/1129928139.db2.gz FOBAVCMYJSGMIG-UHFFFAOYSA-N 1 2 271.339 3.861 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)o1 ZINC000901482762 1129928854 /nfs/dbraw/zinc/92/88/54/1129928854.db2.gz WDRSIFPVOFYAQH-ALCCZGGFSA-N 1 2 258.321 3.516 20 30 CHEDLO Cn1c[nH+]cc1/C=C1\CCCc2ccc(Cl)cc2C1=O ZINC000901477380 1129928867 /nfs/dbraw/zinc/92/88/67/1129928867.db2.gz PGCSZZNWSHXTEP-KPKJPENVSA-N 1 2 286.762 3.676 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2cc(Cl)ccc2C1=O ZINC000901480497 1129929211 /nfs/dbraw/zinc/92/92/11/1129929211.db2.gz KDRXAXHYAHLGTQ-GHXNOFRVSA-N 1 2 286.762 3.940 20 30 CHEDLO Fc1ccccc1COc1ccc[nH+]c1NCCCS ZINC001171001304 1131409073 /nfs/dbraw/zinc/40/90/73/1131409073.db2.gz YADBXEJYVQGOLJ-UHFFFAOYSA-N 1 2 292.379 3.532 20 30 CHEDLO C#CC[N@@H+](Cc1ccncc1Cl)[C@H]1CCc2ccccc21 ZINC000746503394 1129946780 /nfs/dbraw/zinc/94/67/80/1129946780.db2.gz RERDITMAYXEEDA-SFHVURJKSA-N 1 2 296.801 3.858 20 30 CHEDLO C#CC[N@H+](Cc1ccncc1Cl)[C@H]1CCc2ccccc21 ZINC000746503394 1129946782 /nfs/dbraw/zinc/94/67/82/1129946782.db2.gz RERDITMAYXEEDA-SFHVURJKSA-N 1 2 296.801 3.858 20 30 CHEDLO Cc1ccc(-c2cc[nH+]c(NCCCS)c2)cc1 ZINC001170999681 1131409681 /nfs/dbraw/zinc/40/96/81/1131409681.db2.gz MBNMBQDHLDGINE-UHFFFAOYSA-N 1 2 258.390 3.789 20 30 CHEDLO C[C@@H]1C[C@@H](C/[NH+]=C\c2c(O)ccc3ccccc32)CCO1 ZINC000770569173 1129951085 /nfs/dbraw/zinc/95/10/85/1129951085.db2.gz RGBKVTNSLIDZFN-XYCUDVCBSA-N 1 2 283.371 3.779 20 30 CHEDLO C[C@@H]1C[C@@H](C/[NH+]=C/c2c(O)ccc3ccccc32)CCO1 ZINC000770569172 1129951178 /nfs/dbraw/zinc/95/11/78/1129951178.db2.gz RGBKVTNSLIDZFN-UVIBUBJOSA-N 1 2 283.371 3.779 20 30 CHEDLO Cc1c(Cl)cccc1NN=Cc1cccc2[nH+]ccn21 ZINC000771096308 1129972368 /nfs/dbraw/zinc/97/23/68/1129972368.db2.gz DYVHHFYHVTYTFQ-UHFFFAOYSA-N 1 2 284.750 3.742 20 30 CHEDLO Clc1cscc1C=NNc1cc[nH+]c2ccccc12 ZINC000771885357 1129993153 /nfs/dbraw/zinc/99/31/53/1129993153.db2.gz WWGHEECPUGIGDC-UHFFFAOYSA-N 1 2 287.775 3.818 20 30 CHEDLO Cc1cc(N[C@@H](C)c2cc(C#N)ccn2)ccc1[NH+](C)C ZINC000902932290 1130086411 /nfs/dbraw/zinc/08/64/11/1130086411.db2.gz GKGCLJCEHDGHFZ-ZDUSSCGKSA-N 1 2 280.375 3.501 20 30 CHEDLO CC[N@H+](CCCC(C)(C)C#N)c1ccc(OC)cc1 ZINC000746663618 1130141833 /nfs/dbraw/zinc/14/18/33/1130141833.db2.gz SUUVFLVLGFYKHX-UHFFFAOYSA-N 1 2 260.381 3.851 20 30 CHEDLO CC[N@@H+](CCCC(C)(C)C#N)c1ccc(OC)cc1 ZINC000746663618 1130141835 /nfs/dbraw/zinc/14/18/35/1130141835.db2.gz SUUVFLVLGFYKHX-UHFFFAOYSA-N 1 2 260.381 3.851 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cccc(C#N)c1O ZINC000903284277 1130146106 /nfs/dbraw/zinc/14/61/06/1130146106.db2.gz WAOHSTZXUVWMIR-WCQYABFASA-N 1 2 290.432 3.589 20 30 CHEDLO COc1cc(F)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001239998405 1130186710 /nfs/dbraw/zinc/18/67/10/1130186710.db2.gz CTFBHJYQQNCWRQ-RGVLZGJSSA-N 1 2 297.333 3.594 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)s1 ZINC000748997808 1130259335 /nfs/dbraw/zinc/25/93/35/1130259335.db2.gz HODBABZKXDECIV-FPLPWBNLSA-N 1 2 282.368 3.909 20 30 CHEDLO CC(C)c1cc(NCC(C)(C)S)nc(C(C)C)[nH+]1 ZINC001170305200 1130478220 /nfs/dbraw/zinc/47/82/20/1130478220.db2.gz QPBZRPXPMQHSPM-UHFFFAOYSA-N 1 2 267.442 3.844 20 30 CHEDLO C=C(Br)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792941469 1130506929 /nfs/dbraw/zinc/50/69/29/1130506929.db2.gz TXSDHKKKVYQLPU-UHFFFAOYSA-N 1 2 278.193 3.684 20 30 CHEDLO C=C(Br)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000792941469 1130506931 /nfs/dbraw/zinc/50/69/31/1130506931.db2.gz TXSDHKKKVYQLPU-UHFFFAOYSA-N 1 2 278.193 3.684 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000811489190 1130613491 /nfs/dbraw/zinc/61/34/91/1130613491.db2.gz YZDHZIRMFXPNLM-HNNXBMFYSA-N 1 2 280.774 3.647 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000811489190 1130613493 /nfs/dbraw/zinc/61/34/93/1130613493.db2.gz YZDHZIRMFXPNLM-HNNXBMFYSA-N 1 2 280.774 3.647 20 30 CHEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1ccc(F)cc1N(C)C ZINC000759193133 1130642993 /nfs/dbraw/zinc/64/29/93/1130642993.db2.gz CMQAQQFYLVFZRK-UHFFFAOYSA-N 1 2 296.349 3.599 20 30 CHEDLO CCOC(=[NH2+])c1ccc(O[C@H](C)CC(C)(C)S)cc1 ZINC001234589873 1130659818 /nfs/dbraw/zinc/65/98/18/1130659818.db2.gz NSBVNBPLSHSWMS-LLVKDONJSA-N 1 2 281.421 3.914 20 30 CHEDLO CC#CC[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771047 1130674091 /nfs/dbraw/zinc/67/40/91/1130674091.db2.gz AMGNHKKTLOUTPP-AWEZNQCLSA-N 1 2 293.842 3.661 20 30 CHEDLO CC#CC[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771047 1130674094 /nfs/dbraw/zinc/67/40/94/1130674094.db2.gz AMGNHKKTLOUTPP-AWEZNQCLSA-N 1 2 293.842 3.661 20 30 CHEDLO COc1ccc2c(c1)CCC[N@H+]2CC(C)(C)CCC#N ZINC000780767676 1130691151 /nfs/dbraw/zinc/69/11/51/1130691151.db2.gz UTYLQYHNMUDTLO-UHFFFAOYSA-N 1 2 272.392 3.778 20 30 CHEDLO COc1ccc2c(c1)CCC[N@@H+]2CC(C)(C)CCC#N ZINC000780767676 1130691154 /nfs/dbraw/zinc/69/11/54/1130691154.db2.gz UTYLQYHNMUDTLO-UHFFFAOYSA-N 1 2 272.392 3.778 20 30 CHEDLO CC[N@H+](CCC#N)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235037862 1130705736 /nfs/dbraw/zinc/70/57/36/1130705736.db2.gz JMUGUNCSLGMWQF-UHFFFAOYSA-N 1 2 271.339 3.556 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235037862 1130705739 /nfs/dbraw/zinc/70/57/39/1130705739.db2.gz JMUGUNCSLGMWQF-UHFFFAOYSA-N 1 2 271.339 3.556 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(C)ccc1F)c1ccc(F)cc1 ZINC000812794170 1130718674 /nfs/dbraw/zinc/71/86/74/1130718674.db2.gz TVTKYRNDEZWKTE-QGZVFWFLSA-N 1 2 271.310 3.737 20 30 CHEDLO COc1cc(C[N@H+](CCC#N)C2CCCC2)cc(F)c1F ZINC001235449990 1130745377 /nfs/dbraw/zinc/74/53/77/1130745377.db2.gz ZAEVIOJONDVPPS-UHFFFAOYSA-N 1 2 294.345 3.632 20 30 CHEDLO COc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(F)c1F ZINC001235449990 1130745383 /nfs/dbraw/zinc/74/53/83/1130745383.db2.gz ZAEVIOJONDVPPS-UHFFFAOYSA-N 1 2 294.345 3.632 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000783697394 1130848613 /nfs/dbraw/zinc/84/86/13/1130848613.db2.gz PTXXRQKCRJTREV-VOTSOKGWSA-N 1 2 280.352 3.830 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)o1 ZINC000783710987 1130851108 /nfs/dbraw/zinc/85/11/08/1130851108.db2.gz QAPGSTQAVLVHHK-PLNGDYQASA-N 1 2 298.367 3.985 20 30 CHEDLO CC(C)c1cnc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000784569581 1130911357 /nfs/dbraw/zinc/91/13/57/1130911357.db2.gz DRDSJBHONLTOQU-UHFFFAOYSA-N 1 2 289.379 3.567 20 30 CHEDLO CC1(C)CC(=[NH+]OCc2ccccc2)c2cc(N)ccc2O1 ZINC000814792902 1130911979 /nfs/dbraw/zinc/91/19/79/1130911979.db2.gz UDFQCHASGXVHIT-UHFFFAOYSA-N 1 2 296.370 3.751 20 30 CHEDLO CCc1ccccc1N[NH+]=C(C)c1cc(N)ccc1F ZINC000814802253 1130913048 /nfs/dbraw/zinc/91/30/48/1130913048.db2.gz YJUGSEFPCFAKSU-UHFFFAOYSA-N 1 2 271.339 3.806 20 30 CHEDLO CC(=[NH+]Nc1cccc2ccccc21)c1ccc(N)nc1 ZINC000814823115 1130917675 /nfs/dbraw/zinc/91/76/75/1130917675.db2.gz RMMJXBNSWQIAPM-UHFFFAOYSA-N 1 2 276.343 3.653 20 30 CHEDLO CCCC(=NNc1cc[nH+]c2ccccc12)c1cccnc1 ZINC000814841112 1130921600 /nfs/dbraw/zinc/92/16/00/1130921600.db2.gz BBGPUWWNQCVQII-UHFFFAOYSA-N 1 2 290.370 3.668 20 30 CHEDLO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cn2)c1C ZINC001236990380 1131033627 /nfs/dbraw/zinc/03/36/27/1131033627.db2.gz VCFVOVBXTXBCQG-INIZCTEOSA-N 1 2 291.398 3.711 20 30 CHEDLO Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H](C#N)C3)cn2)c1C ZINC001236990380 1131033633 /nfs/dbraw/zinc/03/36/33/1131033633.db2.gz VCFVOVBXTXBCQG-INIZCTEOSA-N 1 2 291.398 3.711 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCOc1ccccc1 ZINC001170806814 1131033979 /nfs/dbraw/zinc/03/39/79/1131033979.db2.gz RRSKKEYZLLAKJK-UHFFFAOYSA-N 1 2 254.333 3.567 20 30 CHEDLO C#CC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1ccc(F)cc1 ZINC000798941909 1131063535 /nfs/dbraw/zinc/06/35/35/1131063535.db2.gz LASWYTFRDTZFPZ-UHFFFAOYSA-N 1 2 299.393 3.547 20 30 CHEDLO C#CC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccc(F)cc1 ZINC000798941909 1131063540 /nfs/dbraw/zinc/06/35/40/1131063540.db2.gz LASWYTFRDTZFPZ-UHFFFAOYSA-N 1 2 299.393 3.547 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001237350546 1131089399 /nfs/dbraw/zinc/08/93/99/1131089399.db2.gz OKKCUQWXVDXFJG-ZDUSSCGKSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001237350546 1131089404 /nfs/dbraw/zinc/08/94/04/1131089404.db2.gz OKKCUQWXVDXFJG-ZDUSSCGKSA-N 1 2 262.784 3.692 20 30 CHEDLO C=CCC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000816627550 1131113706 /nfs/dbraw/zinc/11/37/06/1131113706.db2.gz QMSCWPBLMCQSBF-UHFFFAOYSA-N 1 2 271.763 3.877 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001237745067 1131137943 /nfs/dbraw/zinc/13/79/43/1131137943.db2.gz BSBVBSMGSWRPBI-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001237745067 1131137945 /nfs/dbraw/zinc/13/79/45/1131137945.db2.gz BSBVBSMGSWRPBI-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(C)c1Cl ZINC001238092873 1131171333 /nfs/dbraw/zinc/17/13/33/1131171333.db2.gz NDBLYZCFZYCTGV-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(C)c1Cl ZINC001238092873 1131171334 /nfs/dbraw/zinc/17/13/34/1131171334.db2.gz NDBLYZCFZYCTGV-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189803 1131178098 /nfs/dbraw/zinc/17/80/98/1131178098.db2.gz WTHJVDYQCHDYQH-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189803 1131178099 /nfs/dbraw/zinc/17/80/99/1131178099.db2.gz WTHJVDYQCHDYQH-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO COc1c(Cl)ccc(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238340681 1131193038 /nfs/dbraw/zinc/19/30/38/1131193038.db2.gz IFVMFRVYTXEDJG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(Cl)ccc(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238340681 1131193040 /nfs/dbraw/zinc/19/30/40/1131193040.db2.gz IFVMFRVYTXEDJG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001238484667 1131207805 /nfs/dbraw/zinc/20/78/05/1131207805.db2.gz GKWPWPZRAOGWNI-HNNXBMFYSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001238484667 1131207809 /nfs/dbraw/zinc/20/78/09/1131207809.db2.gz GKWPWPZRAOGWNI-HNNXBMFYSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cnc1-c1ccccc1 ZINC001238618777 1131223632 /nfs/dbraw/zinc/22/36/32/1131223632.db2.gz UXWJPHDASODTML-LJQANCHMSA-N 1 2 291.398 3.793 20 30 CHEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cnc1-c1ccccc1 ZINC001238618777 1131223636 /nfs/dbraw/zinc/22/36/36/1131223636.db2.gz UXWJPHDASODTML-LJQANCHMSA-N 1 2 291.398 3.793 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137857962 1131425315 /nfs/dbraw/zinc/42/53/15/1131425315.db2.gz QGNBQZKOHMCHRD-UHFFFAOYSA-N 1 2 281.403 3.830 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137857962 1131425316 /nfs/dbraw/zinc/42/53/16/1131425316.db2.gz QGNBQZKOHMCHRD-UHFFFAOYSA-N 1 2 281.403 3.830 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2cc(C)ccc2nc1Cl ZINC001137922880 1131435642 /nfs/dbraw/zinc/43/56/42/1131435642.db2.gz PTQGKYGYKYFOFP-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2cc(C)ccc2nc1Cl ZINC001137922880 1131435643 /nfs/dbraw/zinc/43/56/43/1131435643.db2.gz PTQGKYGYKYFOFP-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO CN1CCCc2cc([NH2+]C3CCC(C)(C#N)CC3)ccc21 ZINC000824103598 1131453901 /nfs/dbraw/zinc/45/39/01/1131453901.db2.gz LFELEUHZNGXZLW-UHFFFAOYSA-N 1 2 283.419 3.953 20 30 CHEDLO C[N@@H+]1CCCc2cc(NC3CCC(C)(C#N)CC3)ccc21 ZINC000824103598 1131453903 /nfs/dbraw/zinc/45/39/03/1131453903.db2.gz LFELEUHZNGXZLW-UHFFFAOYSA-N 1 2 283.419 3.953 20 30 CHEDLO C[N@H+]1CCCc2cc(NC3CCC(C)(C#N)CC3)ccc21 ZINC000824103598 1131453905 /nfs/dbraw/zinc/45/39/05/1131453905.db2.gz LFELEUHZNGXZLW-UHFFFAOYSA-N 1 2 283.419 3.953 20 30 CHEDLO CCOc1ccc(NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001171046173 1131455487 /nfs/dbraw/zinc/45/54/87/1131455487.db2.gz KQLFLEHRIMWMJG-UHFFFAOYSA-N 1 2 291.354 3.671 20 30 CHEDLO C=CC[N@@H+](Cc1cccc(F)c1O)C1CCCCC1 ZINC001138130695 1131469526 /nfs/dbraw/zinc/46/95/26/1131469526.db2.gz FQGYVADIDHDIGD-UHFFFAOYSA-N 1 2 263.356 3.852 20 30 CHEDLO C=CC[N@H+](Cc1cccc(F)c1O)C1CCCCC1 ZINC001138130695 1131469530 /nfs/dbraw/zinc/46/95/30/1131469530.db2.gz FQGYVADIDHDIGD-UHFFFAOYSA-N 1 2 263.356 3.852 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@H+](C)CCC#N ZINC001138441241 1131506137 /nfs/dbraw/zinc/50/61/37/1131506137.db2.gz WBCLZPPYBCXCFV-UHFFFAOYSA-N 1 2 268.360 3.584 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@@H+](C)CCC#N ZINC001138441241 1131506139 /nfs/dbraw/zinc/50/61/39/1131506139.db2.gz WBCLZPPYBCXCFV-UHFFFAOYSA-N 1 2 268.360 3.584 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@H+](CC)CCC#N ZINC001138443657 1131507611 /nfs/dbraw/zinc/50/76/11/1131507611.db2.gz GCBRECQWIZHSKV-UHFFFAOYSA-N 1 2 282.387 3.974 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@@H+](CC)CCC#N ZINC001138443657 1131507612 /nfs/dbraw/zinc/50/76/12/1131507612.db2.gz GCBRECQWIZHSKV-UHFFFAOYSA-N 1 2 282.387 3.974 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(Cl)c1F ZINC001143627537 1131519658 /nfs/dbraw/zinc/51/96/58/1131519658.db2.gz RJMLENRQESJAPL-WLLOZRIZSA-N 1 2 296.748 3.885 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(Cl)c1F ZINC001143627537 1131519663 /nfs/dbraw/zinc/51/96/63/1131519663.db2.gz RJMLENRQESJAPL-WLLOZRIZSA-N 1 2 296.748 3.885 20 30 CHEDLO C=CCc1cccc(C[N@@H+]2CCC[C@@H](F)C(F)(F)C2)c1O ZINC001138624339 1131527756 /nfs/dbraw/zinc/52/77/56/1131527756.db2.gz DWSYACSZYQZZIT-CQSZACIVSA-N 1 2 299.336 3.690 20 30 CHEDLO C=CCc1cccc(C[N@H+]2CCC[C@@H](F)C(F)(F)C2)c1O ZINC001138624339 1131527760 /nfs/dbraw/zinc/52/77/60/1131527760.db2.gz DWSYACSZYQZZIT-CQSZACIVSA-N 1 2 299.336 3.690 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CCCC[C@H]2c2ccccc2F)c1 ZINC001144080209 1131581587 /nfs/dbraw/zinc/58/15/87/1131581587.db2.gz YDLRSLQJNIQJKL-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)c1 ZINC001144080209 1131581590 /nfs/dbraw/zinc/58/15/90/1131581590.db2.gz YDLRSLQJNIQJKL-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cc(Cl)cnc1Cl ZINC001139358823 1131604413 /nfs/dbraw/zinc/60/44/13/1131604413.db2.gz ITLDREBUCBICCL-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cc(Cl)cnc1Cl ZINC001139358823 1131604414 /nfs/dbraw/zinc/60/44/14/1131604414.db2.gz ITLDREBUCBICCL-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C=C(C)[C@H]1CC=C(COC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000845486604 1131636914 /nfs/dbraw/zinc/63/69/14/1131636914.db2.gz XZEZVYVVNXJIFI-ZBFHGGJFSA-N 1 2 288.391 3.680 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2c(Cl)n1 ZINC000846982307 1131765631 /nfs/dbraw/zinc/76/56/31/1131765631.db2.gz OWVUOPOVBSHLSM-LBPRGKRZSA-N 1 2 273.767 3.670 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NC3(C(F)(F)F)CC3)c2c1 ZINC001160824904 1131778846 /nfs/dbraw/zinc/77/88/46/1131778846.db2.gz YMLFGOYQKMMJGY-UHFFFAOYSA-N 1 2 277.249 3.613 20 30 CHEDLO C=C[C@H](Oc1cc2c(cc1OC)CC[NH+]=C2)c1ccccc1 ZINC001228093375 1131808891 /nfs/dbraw/zinc/80/88/91/1131808891.db2.gz XWFVQJXNIHLPJU-KRWDZBQOSA-N 1 2 293.366 3.976 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(O)c1 ZINC001140628001 1131835286 /nfs/dbraw/zinc/83/52/86/1131835286.db2.gz GSXGSIQRQUDZDM-UHFFFAOYSA-N 1 2 298.333 3.509 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(O)c1 ZINC001140628001 1131835291 /nfs/dbraw/zinc/83/52/91/1131835291.db2.gz GSXGSIQRQUDZDM-UHFFFAOYSA-N 1 2 298.333 3.509 20 30 CHEDLO Cc1[nH]c2ccc(O[C@H](C#N)c3ccccc3F)cc2[nH+]1 ZINC001228329949 1131859252 /nfs/dbraw/zinc/85/92/52/1131859252.db2.gz SSAFHXMDCFDWHH-MRXNPFEDSA-N 1 2 281.290 3.654 20 30 CHEDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000037270318 1132026955 /nfs/dbraw/zinc/02/69/55/1132026955.db2.gz MFHXOBLETXKGQJ-CYBMUJFWSA-N 1 2 265.360 3.797 20 30 CHEDLO Cc1[nH]c(-c2cccc(NC(=O)C#CC(C)(C)C)c2)[nH+]c1C ZINC000837364489 1132069361 /nfs/dbraw/zinc/06/93/61/1132069361.db2.gz ZODOTIBOYVACEC-UHFFFAOYSA-N 1 2 295.386 3.682 20 30 CHEDLO Cc1ccc(CC[C@@H](C)[NH2+][C@@](C)(C#N)C(C)C)cc1 ZINC001171658221 1132070397 /nfs/dbraw/zinc/07/03/97/1132070397.db2.gz PQECARUUXNLXFF-WBVHZDCISA-N 1 2 258.409 3.844 20 30 CHEDLO Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@@H]2C#N)cc1 ZINC001171678013 1132077377 /nfs/dbraw/zinc/07/73/77/1132077377.db2.gz AKLHRZOKDPCXDS-NVXWUHKLSA-N 1 2 256.393 3.694 20 30 CHEDLO Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@H]2C#N)cc1 ZINC001171678013 1132077385 /nfs/dbraw/zinc/07/73/85/1132077385.db2.gz AKLHRZOKDPCXDS-NVXWUHKLSA-N 1 2 256.393 3.694 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccsc2)c1 ZINC001141377730 1132106279 /nfs/dbraw/zinc/10/62/79/1132106279.db2.gz ZAMBTEGSFXPICW-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccsc2)c1 ZINC001141377730 1132106282 /nfs/dbraw/zinc/10/62/82/1132106282.db2.gz ZAMBTEGSFXPICW-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)nc1C ZINC001141431040 1132123704 /nfs/dbraw/zinc/12/37/04/1132123704.db2.gz XJPRAJTUJFIDJM-UHFFFAOYSA-N 1 2 299.340 3.925 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)nc1C ZINC001141431040 1132123708 /nfs/dbraw/zinc/12/37/08/1132123708.db2.gz XJPRAJTUJFIDJM-UHFFFAOYSA-N 1 2 299.340 3.925 20 30 CHEDLO C=C[C@H](C#CC(C)(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953607 1132135607 /nfs/dbraw/zinc/13/56/07/1132135607.db2.gz BTVIUMNGRYMHIU-MRXNPFEDSA-N 1 2 280.371 3.855 20 30 CHEDLO C=CC[C@@H](CCC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954137 1132135854 /nfs/dbraw/zinc/13/58/54/1132135854.db2.gz JSEFQWKFOOJRNB-HNNXBMFYSA-N 1 2 256.349 3.996 20 30 CHEDLO C=C(C)C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(=C)C ZINC001230921047 1132227559 /nfs/dbraw/zinc/22/75/59/1132227559.db2.gz CUJRORAPIDDARE-MRXNPFEDSA-N 1 2 271.360 3.657 20 30 CHEDLO C[C@@H](CC(C)(C)S)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231083745 1132255022 /nfs/dbraw/zinc/25/50/22/1132255022.db2.gz GQIWUJOJVBQRTQ-NSHDSACASA-N 1 2 276.405 3.943 20 30 CHEDLO CSc1nc(C[N@@H+]2CC[C@H]2c2ccccc2)ccc1C#N ZINC001141941751 1132269694 /nfs/dbraw/zinc/26/96/94/1132269694.db2.gz WFVMNMPPFMPEKX-INIZCTEOSA-N 1 2 295.411 3.622 20 30 CHEDLO CSc1nc(C[N@H+]2CC[C@H]2c2ccccc2)ccc1C#N ZINC001141941751 1132269697 /nfs/dbraw/zinc/26/96/97/1132269697.db2.gz WFVMNMPPFMPEKX-INIZCTEOSA-N 1 2 295.411 3.622 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCCc2ncccc2C)c(O)c1 ZINC000840707846 1132272927 /nfs/dbraw/zinc/27/29/27/1132272927.db2.gz ALWIEMURNRHJGW-UYRXBGFRSA-N 1 2 298.386 3.546 20 30 CHEDLO Cc1c(F)ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001231476506 1132297242 /nfs/dbraw/zinc/29/72/42/1132297242.db2.gz RCBMVPMLEPOPNY-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1c(F)ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001231476506 1132297250 /nfs/dbraw/zinc/29/72/50/1132297250.db2.gz RCBMVPMLEPOPNY-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1c(C)nn(C(C)(C)C)c1C ZINC001142174839 1132336854 /nfs/dbraw/zinc/33/68/54/1132336854.db2.gz PXVRZXSYDABDJX-UHFFFAOYSA-N 1 2 290.455 3.771 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1c(C)nn(C(C)(C)C)c1C ZINC001142174839 1132336862 /nfs/dbraw/zinc/33/68/62/1132336862.db2.gz PXVRZXSYDABDJX-UHFFFAOYSA-N 1 2 290.455 3.771 20 30 CHEDLO CC(C)(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001231805193 1132366114 /nfs/dbraw/zinc/36/61/14/1132366114.db2.gz MCNNYNIEKIDFFO-HNNXBMFYSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001231805193 1132366121 /nfs/dbraw/zinc/36/61/21/1132366121.db2.gz MCNNYNIEKIDFFO-HNNXBMFYSA-N 1 2 272.392 3.599 20 30 CHEDLO N#CCC[N@H+](Cc1cnsc1)C1CCCCCCC1 ZINC001232226905 1132438855 /nfs/dbraw/zinc/43/88/55/1132438855.db2.gz FHQDWMNBNKZOAA-UHFFFAOYSA-N 1 2 277.437 3.972 20 30 CHEDLO N#CCC[N@@H+](Cc1cnsc1)C1CCCCCCC1 ZINC001232226905 1132438858 /nfs/dbraw/zinc/43/88/58/1132438858.db2.gz FHQDWMNBNKZOAA-UHFFFAOYSA-N 1 2 277.437 3.972 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001232609380 1132491572 /nfs/dbraw/zinc/49/15/72/1132491572.db2.gz ZYBNPFDXDGYHID-LLVKDONJSA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001232609380 1132491575 /nfs/dbraw/zinc/49/15/75/1132491575.db2.gz ZYBNPFDXDGYHID-LLVKDONJSA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1ccc(O)c(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC001232675533 1132504242 /nfs/dbraw/zinc/50/42/42/1132504242.db2.gz QBSCDQNDKHGFCA-UHFFFAOYSA-N 1 2 292.382 3.643 20 30 CHEDLO CC[C@@H](C#N)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685265 1132508655 /nfs/dbraw/zinc/50/86/55/1132508655.db2.gz PEOLEKSKCSNPOX-HJOIGYKYSA-N 1 2 268.404 3.705 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232878238 1132535137 /nfs/dbraw/zinc/53/51/37/1132535137.db2.gz ZBPYOVMWXZXCKH-SNVBAGLBSA-N 1 2 284.737 3.744 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232878238 1132535145 /nfs/dbraw/zinc/53/51/45/1132535145.db2.gz ZBPYOVMWXZXCKH-SNVBAGLBSA-N 1 2 284.737 3.744 20 30 CHEDLO C[N@H+](Cc1[nH]ccc1C#N)Cc1ccc2ccccc2c1 ZINC001233049022 1132568227 /nfs/dbraw/zinc/56/82/27/1132568227.db2.gz UUSDGDHCRYBDLY-UHFFFAOYSA-N 1 2 275.355 3.672 20 30 CHEDLO C[N@@H+](Cc1[nH]ccc1C#N)Cc1ccc2ccccc2c1 ZINC001233049022 1132568234 /nfs/dbraw/zinc/56/82/34/1132568234.db2.gz UUSDGDHCRYBDLY-UHFFFAOYSA-N 1 2 275.355 3.672 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCC3)c(C#N)c2)c(C)[nH+]1 ZINC001203376043 1132581351 /nfs/dbraw/zinc/58/13/51/1132581351.db2.gz HOKRHDHXSXXQJN-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(N)cc1Cl)C1CCCC1 ZINC001233375801 1132612597 /nfs/dbraw/zinc/61/25/97/1132612597.db2.gz BMBDKLUIOQWVHH-UHFFFAOYSA-N 1 2 277.799 3.580 20 30 CHEDLO CC(C)(Cc1ccc(F)cc1)Nc1cc(CC#N)cc[nH+]1 ZINC001155968438 1132673802 /nfs/dbraw/zinc/67/38/02/1132673802.db2.gz CJAXSVAULZYWJA-UHFFFAOYSA-N 1 2 283.350 3.720 20 30 CHEDLO N#C[C@H]1CC[C@H](Nc2cc3ccccc3c[nH+]2)CC1 ZINC001157049544 1132720159 /nfs/dbraw/zinc/72/01/59/1132720159.db2.gz DTFPHMNMTLXRTA-NNUKFRKNSA-N 1 2 251.333 3.729 20 30 CHEDLO N#CCc1cc[nH+]c(NCCc2ccc3ccccc3c2)c1 ZINC001157911068 1132755204 /nfs/dbraw/zinc/75/52/04/1132755204.db2.gz WHAQHFVHYGMZNH-UHFFFAOYSA-N 1 2 287.366 3.955 20 30 CHEDLO Cc1c(F)cc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001158785457 1132793234 /nfs/dbraw/zinc/79/32/34/1132793234.db2.gz XNHXYDZWVVUXIC-UHFFFAOYSA-N 1 2 259.328 3.558 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3cccnc3C#N)ccc21 ZINC001174381065 1132828343 /nfs/dbraw/zinc/82/83/43/1132828343.db2.gz SKHZWURUXHYISA-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524865 1132912732 /nfs/dbraw/zinc/91/27/32/1132912732.db2.gz SQKNOTRWPGYBDR-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1nc(NCCCS)cc(C2CCCCC2)[nH+]1 ZINC001159869553 1132916061 /nfs/dbraw/zinc/91/60/61/1132916061.db2.gz KBQDKRMAFKSAGV-UHFFFAOYSA-N 1 2 265.426 3.565 20 30 CHEDLO Cc1nc(N[C@@H]2CCc3c2cccc3C#N)cc(C(C)C)[nH+]1 ZINC001159913998 1132924039 /nfs/dbraw/zinc/92/40/39/1132924039.db2.gz BGXPMGVZJJZLIG-MRXNPFEDSA-N 1 2 292.386 3.880 20 30 CHEDLO Cc1cnc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c(C)c1 ZINC001160020641 1132935272 /nfs/dbraw/zinc/93/52/72/1132935272.db2.gz DORUCDWGMGWQSX-UHFFFAOYSA-N 1 2 291.354 3.594 20 30 CHEDLO Cc1cccc2c(C)cc(NCc3ncc(C#N)s3)[nH+]c12 ZINC001161000441 1132989098 /nfs/dbraw/zinc/98/90/98/1132989098.db2.gz DWDWDOZXFSIBLE-UHFFFAOYSA-N 1 2 294.383 3.792 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213031717 1132997056 /nfs/dbraw/zinc/99/70/56/1132997056.db2.gz OARQHRQOPWHYOX-UHFFFAOYSA-N 1 2 262.316 3.795 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1nc2ccccc2o1 ZINC001161965939 1133045036 /nfs/dbraw/zinc/04/50/36/1133045036.db2.gz GTUVNMRVPBXUKV-UHFFFAOYSA-N 1 2 279.343 3.872 20 30 CHEDLO C[C@@H]1CCCC[C@H]1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162527961 1133088793 /nfs/dbraw/zinc/08/87/93/1133088793.db2.gz ZSAMSRBLMCUJPX-KGLIPLIRSA-N 1 2 269.392 3.875 20 30 CHEDLO C=CCC[C@@H]1CCCN1c1cc(CC)[nH+]c(CC)n1 ZINC001164287400 1133211640 /nfs/dbraw/zinc/21/16/40/1133211640.db2.gz AISFCYMXXOZBFE-CQSZACIVSA-N 1 2 259.397 3.536 20 30 CHEDLO Cc1cccc2c1cc[nH+]c2N1CCc2cc(C#N)ccc2C1 ZINC001164482049 1133221516 /nfs/dbraw/zinc/22/15/16/1133221516.db2.gz POLCILJNLLNDIQ-UHFFFAOYSA-N 1 2 299.377 3.978 20 30 CHEDLO CC(C)(C)c1ccc(N2CCc3cc(C#N)ccc3C2)[nH+]c1 ZINC001164488587 1133221779 /nfs/dbraw/zinc/22/17/79/1133221779.db2.gz HWVPTPRRFOMEQP-UHFFFAOYSA-N 1 2 291.398 3.813 20 30 CHEDLO C#C[C@H]1CCCN(c2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001167005865 1133298948 /nfs/dbraw/zinc/29/89/48/1133298948.db2.gz GXELNGAZXCNGEI-LBPRGKRZSA-N 1 2 270.763 3.738 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC001204283807 1133428255 /nfs/dbraw/zinc/42/82/55/1133428255.db2.gz CYIZSVPPLUHHJB-UHFFFAOYSA-N 1 2 254.736 3.605 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC001204283807 1133428257 /nfs/dbraw/zinc/42/82/57/1133428257.db2.gz CYIZSVPPLUHHJB-UHFFFAOYSA-N 1 2 254.736 3.605 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001204317164 1133436547 /nfs/dbraw/zinc/43/65/47/1133436547.db2.gz ZZMFRCCSKJCICB-KRWDZBQOSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001204317164 1133436549 /nfs/dbraw/zinc/43/65/49/1133436549.db2.gz ZZMFRCCSKJCICB-KRWDZBQOSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCCCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204366757 1133440871 /nfs/dbraw/zinc/44/08/71/1133440871.db2.gz NVRUUGPUSRLAKN-KRWDZBQOSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCCCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204366757 1133440876 /nfs/dbraw/zinc/44/08/76/1133440876.db2.gz NVRUUGPUSRLAKN-KRWDZBQOSA-N 1 2 286.419 3.991 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(SC)o1)Cc1ccc(F)cc1 ZINC001204497874 1133453613 /nfs/dbraw/zinc/45/36/13/1133453613.db2.gz UXWAVCRYWFTARM-UHFFFAOYSA-N 1 2 289.375 3.776 20 30 CHEDLO C#CC[N@H+](Cc1ccc(SC)o1)Cc1ccc(F)cc1 ZINC001204497874 1133453616 /nfs/dbraw/zinc/45/36/16/1133453616.db2.gz UXWAVCRYWFTARM-UHFFFAOYSA-N 1 2 289.375 3.776 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001206837147 1133754010 /nfs/dbraw/zinc/75/40/10/1133754010.db2.gz VYOZGBJHUJRLBR-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC001208176632 1133896734 /nfs/dbraw/zinc/89/67/34/1133896734.db2.gz IUOXTZDPYVQYBN-OAHLLOKOSA-N 1 2 254.377 3.700 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2Cc3ccncc3C2)CC1 ZINC001208176632 1133896739 /nfs/dbraw/zinc/89/67/39/1133896739.db2.gz IUOXTZDPYVQYBN-OAHLLOKOSA-N 1 2 254.377 3.700 20 30 CHEDLO C=CCCC[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001209164363 1133982527 /nfs/dbraw/zinc/98/25/27/1133982527.db2.gz XDHBOFSGICEQQZ-OAHLLOKOSA-N 1 2 265.784 3.680 20 30 CHEDLO C=CCCC[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001209164363 1133982523 /nfs/dbraw/zinc/98/25/23/1133982523.db2.gz XDHBOFSGICEQQZ-OAHLLOKOSA-N 1 2 265.784 3.680 20 30 CHEDLO Cc1cc(Cl)ncc1C[N@H+](CCC#N)C1CCCC1 ZINC001209632687 1134045694 /nfs/dbraw/zinc/04/56/94/1134045694.db2.gz APRVCYUPRPVSLM-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO Cc1cc(Cl)ncc1C[N@@H+](CCC#N)C1CCCC1 ZINC001209632687 1134045699 /nfs/dbraw/zinc/04/56/99/1134045699.db2.gz APRVCYUPRPVSLM-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO C#Cc1cccc(Nc2ccc([NH+](C)C)c(C)c2)c1 ZINC001210041313 1134131189 /nfs/dbraw/zinc/13/11/89/1134131189.db2.gz KXSTWFAIGQPJKL-UHFFFAOYSA-N 1 2 250.345 3.786 20 30 CHEDLO Cc1cc(Nc2ccc(CC#N)cc2)ccc1[NH+](C)C ZINC001210040827 1134131455 /nfs/dbraw/zinc/13/14/55/1134131455.db2.gz CMPBBLCIXYFFRF-UHFFFAOYSA-N 1 2 265.360 3.871 20 30 CHEDLO Cc1cnc(C#N)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001210224863 1134172576 /nfs/dbraw/zinc/17/25/76/1134172576.db2.gz YSGDTZHBGAVRMP-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001210376340 1134203268 /nfs/dbraw/zinc/20/32/68/1134203268.db2.gz VWGHPIRTZAGXHR-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1cn2cccc(Nc3cc(C)cc(C#N)c3)c2[nH+]1 ZINC001210387404 1134205731 /nfs/dbraw/zinc/20/57/31/1134205731.db2.gz CWHUAMRXAYBNDE-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO C#Cc1cc(Nc2c(C)ccc3ccccc32)cc[nH+]1 ZINC001211118857 1134374727 /nfs/dbraw/zinc/37/47/27/1134374727.db2.gz VKQVELWUGAHTTI-UHFFFAOYSA-N 1 2 258.324 3.690 20 30 CHEDLO Cc1oc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C#N)c1C ZINC001213086703 1134424879 /nfs/dbraw/zinc/42/48/79/1134424879.db2.gz WDSOTUPIMZVRQY-UHFFFAOYSA-N 1 2 278.315 3.902 20 30 CHEDLO Cc1cnc(Nc2cc(C3CC3)c[nH+]c2C)c(C#N)c1 ZINC001213494677 1134454090 /nfs/dbraw/zinc/45/40/90/1134454090.db2.gz FSRYDTVWAPLUBK-UHFFFAOYSA-N 1 2 264.332 3.586 20 30 CHEDLO Cc1ccnc(C#N)c1Nc1cc(C2CC2)c[nH+]c1C ZINC001213496847 1134454178 /nfs/dbraw/zinc/45/41/78/1134454178.db2.gz ACZWAOZOWJSHDD-UHFFFAOYSA-N 1 2 264.332 3.586 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC001213513538 1134458161 /nfs/dbraw/zinc/45/81/61/1134458161.db2.gz UCLIVBRQROJSFT-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(F)c(CC#N)c2)c1C ZINC001213537208 1134462402 /nfs/dbraw/zinc/46/24/02/1134462402.db2.gz XBUOJIQTQITCEM-UHFFFAOYSA-N 1 2 255.296 3.647 20 30 CHEDLO C#Cc1cc(Nc2c(Cl)cc(F)cc2Cl)cc[nH+]1 ZINC001214472759 1134542182 /nfs/dbraw/zinc/54/21/82/1134542182.db2.gz CECAEGGSIOGVOI-UHFFFAOYSA-N 1 2 281.117 3.674 20 30 CHEDLO C#Cc1cc(Nc2c(F)cc(Cl)cc2Cl)cc[nH+]1 ZINC001214548128 1134549134 /nfs/dbraw/zinc/54/91/34/1134549134.db2.gz YBQKIXOVYWLTMN-UHFFFAOYSA-N 1 2 281.117 3.674 20 30 CHEDLO CCc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1C#N ZINC001216315770 1134849502 /nfs/dbraw/zinc/84/95/02/1134849502.db2.gz PCHXKANVPMPLDL-UHFFFAOYSA-N 1 2 292.386 3.859 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1cccc(C#N)c1F ZINC001216415263 1134888253 /nfs/dbraw/zinc/88/82/53/1134888253.db2.gz HIYVQINOABESIC-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO C#C[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001219010095 1135125156 /nfs/dbraw/zinc/12/51/56/1135125156.db2.gz ZRWFOCCSYGKRQB-MRXNPFEDSA-N 1 2 293.370 3.503 20 30 CHEDLO C=C[C@H](C#CC(C)(C)C)OCCCCC(=[NH2+])OCC ZINC001224964590 1135497329 /nfs/dbraw/zinc/49/73/29/1135497329.db2.gz ALTWUMSDICATFK-CQSZACIVSA-N 1 2 265.397 3.791 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Oc1cc[nH+]cc1 ZINC001225294209 1135536802 /nfs/dbraw/zinc/53/68/02/1135536802.db2.gz HFVKZWQCNDTNSM-ZDUSSCGKSA-N 1 2 255.317 3.786 20 30 CHEDLO CCC[C@H](C#Cc1ccccc1)Oc1cc[nH+]cc1 ZINC001225294129 1135536915 /nfs/dbraw/zinc/53/69/15/1135536915.db2.gz FUNHJFZWIGYHOY-MRXNPFEDSA-N 1 2 251.329 3.681 20 30 CHEDLO CC[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353421076 529472668 /nfs/dbraw/zinc/47/26/68/529472668.db2.gz YAYGNMFICQVAGP-KRWDZBQOSA-N 1 2 293.414 3.991 20 30 CHEDLO CC[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353421076 529472670 /nfs/dbraw/zinc/47/26/70/529472670.db2.gz YAYGNMFICQVAGP-KRWDZBQOSA-N 1 2 293.414 3.991 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000356105289 533149560 /nfs/dbraw/zinc/14/95/60/533149560.db2.gz CHEFTKCJCWDXEY-VIFPVBQESA-N 1 2 288.338 3.891 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000356105289 533149569 /nfs/dbraw/zinc/14/95/69/533149569.db2.gz CHEFTKCJCWDXEY-VIFPVBQESA-N 1 2 288.338 3.891 20 30 CHEDLO COc1ccc(C)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC000353418878 533385045 /nfs/dbraw/zinc/38/50/45/533385045.db2.gz HRJXTNYZDIESRT-UHFFFAOYSA-N 1 2 274.408 3.765 20 30 CHEDLO COc1ccc(C)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353418878 533385054 /nfs/dbraw/zinc/38/50/54/533385054.db2.gz HRJXTNYZDIESRT-UHFFFAOYSA-N 1 2 274.408 3.765 20 30 CHEDLO C=CCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000575131931 335070800 /nfs/dbraw/zinc/07/08/00/335070800.db2.gz KBRJFEJOVODINJ-INIZCTEOSA-N 1 2 281.346 3.694 20 30 CHEDLO C=CCCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000575131931 335070801 /nfs/dbraw/zinc/07/08/01/335070801.db2.gz KBRJFEJOVODINJ-INIZCTEOSA-N 1 2 281.346 3.694 20 30 CHEDLO CCOc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000353419887 228099383 /nfs/dbraw/zinc/09/93/83/228099383.db2.gz DFTTZLSZIPCVBU-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO CCOc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353419887 228099385 /nfs/dbraw/zinc/09/93/85/228099385.db2.gz DFTTZLSZIPCVBU-UHFFFAOYSA-N 1 2 274.408 3.847 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1C ZINC000356067791 228108575 /nfs/dbraw/zinc/10/85/75/228108575.db2.gz RQXNFJPYDMSXJJ-MRXNPFEDSA-N 1 2 297.427 3.969 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1C ZINC000356067791 228108577 /nfs/dbraw/zinc/10/85/77/228108577.db2.gz RQXNFJPYDMSXJJ-MRXNPFEDSA-N 1 2 297.427 3.969 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000356105286 228121933 /nfs/dbraw/zinc/12/19/33/228121933.db2.gz CHEFTKCJCWDXEY-SECBINFHSA-N 1 2 288.338 3.891 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000356105286 228121935 /nfs/dbraw/zinc/12/19/35/228121935.db2.gz CHEFTKCJCWDXEY-SECBINFHSA-N 1 2 288.338 3.891 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ncc(-c2ccccc2)o1 ZINC000332169889 228151129 /nfs/dbraw/zinc/15/11/29/228151129.db2.gz KRKANGQBFZNEBX-CFVMTHIKSA-N 1 2 281.359 3.684 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nccs1 ZINC000080266699 260179262 /nfs/dbraw/zinc/17/92/62/260179262.db2.gz LHWIZZSUKMYGTG-LBPRGKRZSA-N 1 2 274.389 3.559 20 30 CHEDLO N#CC[N@@H+](Cc1cccc(Br)c1)C1CCCC1 ZINC000083807900 260356905 /nfs/dbraw/zinc/35/69/05/260356905.db2.gz AKFMQMHYTPIPME-UHFFFAOYSA-N 1 2 293.208 3.717 20 30 CHEDLO N#CC[N@H+](Cc1cccc(Br)c1)C1CCCC1 ZINC000083807900 260356907 /nfs/dbraw/zinc/35/69/07/260356907.db2.gz AKFMQMHYTPIPME-UHFFFAOYSA-N 1 2 293.208 3.717 20 30 CHEDLO Cc1ccccc1CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000084678498 260366366 /nfs/dbraw/zinc/36/63/66/260366366.db2.gz PRHKKOKQEHHNCN-UHFFFAOYSA-N 1 2 293.414 3.739 20 30 CHEDLO Cc1ccccc1CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000084678498 260366368 /nfs/dbraw/zinc/36/63/68/260366368.db2.gz PRHKKOKQEHHNCN-UHFFFAOYSA-N 1 2 293.414 3.739 20 30 CHEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C#N)CC1 ZINC000152206657 261061059 /nfs/dbraw/zinc/06/10/59/261061059.db2.gz XXVDUHZPLDJMHZ-ZDUSSCGKSA-N 1 2 281.359 3.638 20 30 CHEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C#N)CC1 ZINC000152206740 261061334 /nfs/dbraw/zinc/06/13/34/261061334.db2.gz XXVDUHZPLDJMHZ-CYBMUJFWSA-N 1 2 281.359 3.638 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184085151 262007949 /nfs/dbraw/zinc/00/79/49/262007949.db2.gz UVFVURNJXLJJDW-CYBMUJFWSA-N 1 2 299.330 3.637 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000184091728 262008490 /nfs/dbraw/zinc/00/84/90/262008490.db2.gz VVLAFFZIOQBBRW-CYBMUJFWSA-N 1 2 282.334 3.687 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000184096429 262008720 /nfs/dbraw/zinc/00/87/20/262008720.db2.gz XZBOSZGKZPAFSE-CQSZACIVSA-N 1 2 285.416 3.900 20 30 CHEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(OCC3CC3)cc2)C1 ZINC000185729272 262068598 /nfs/dbraw/zinc/06/85/98/262068598.db2.gz UXRWFPXOLPLAKS-ZBFHGGJFSA-N 1 2 270.376 3.970 20 30 CHEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CCCC3)c(F)c2)C1 ZINC000185728113 262068827 /nfs/dbraw/zinc/06/88/27/262068827.db2.gz YGMNZBQCKMSJQQ-UONOGXRCSA-N 1 2 287.382 3.920 20 30 CHEDLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000310275481 262131612 /nfs/dbraw/zinc/13/16/12/262131612.db2.gz JLMBHFKEPYPHMR-LLVKDONJSA-N 1 2 293.208 3.695 20 30 CHEDLO C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000310275481 262131614 /nfs/dbraw/zinc/13/16/14/262131614.db2.gz JLMBHFKEPYPHMR-LLVKDONJSA-N 1 2 293.208 3.695 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000194134533 262233681 /nfs/dbraw/zinc/23/36/81/262233681.db2.gz NEXVOLOICNIBPO-DZGCQCFKSA-N 1 2 280.375 3.581 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000111250951 262258077 /nfs/dbraw/zinc/25/80/77/262258077.db2.gz XVNJRKHEJIRCJG-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000111250951 262258078 /nfs/dbraw/zinc/25/80/78/262258078.db2.gz XVNJRKHEJIRCJG-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000338307346 262515358 /nfs/dbraw/zinc/51/53/58/262515358.db2.gz MMELBRVADJMWBN-SNVBAGLBSA-N 1 2 277.368 3.523 20 30 CHEDLO C=CC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000338307346 262515360 /nfs/dbraw/zinc/51/53/60/262515360.db2.gz MMELBRVADJMWBN-SNVBAGLBSA-N 1 2 277.368 3.523 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1ncc(C)o1 ZINC000411137545 262680693 /nfs/dbraw/zinc/68/06/93/262680693.db2.gz OTPWDNSMMHKLHL-LBPRGKRZSA-N 1 2 262.378 3.794 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1ncc(C)o1 ZINC000411137545 262680694 /nfs/dbraw/zinc/68/06/94/262680694.db2.gz OTPWDNSMMHKLHL-LBPRGKRZSA-N 1 2 262.378 3.794 20 30 CHEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000274369527 263023677 /nfs/dbraw/zinc/02/36/77/263023677.db2.gz KILCDQJJGZKZJJ-OAHLLOKOSA-N 1 2 291.395 3.608 20 30 CHEDLO COc1c(C)c[nH+]c(CSCCC(C)(C)C#N)c1C ZINC000276632630 263037577 /nfs/dbraw/zinc/03/75/77/263037577.db2.gz QIPNNTOEPTXOMB-UHFFFAOYSA-N 1 2 278.421 3.880 20 30 CHEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCCC(C)(C)C#N)o1 ZINC000277825501 263043799 /nfs/dbraw/zinc/04/37/99/263043799.db2.gz VWLGPRSTKJIVOU-OAHLLOKOSA-N 1 2 290.407 3.681 20 30 CHEDLO Cc1ccc([C@H]2COCC[N@H+]2CCCCC(C)(C)C#N)o1 ZINC000277825501 263043800 /nfs/dbraw/zinc/04/38/00/263043800.db2.gz VWLGPRSTKJIVOU-OAHLLOKOSA-N 1 2 290.407 3.681 20 30 CHEDLO CCOc1ccc([NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000281226365 263067283 /nfs/dbraw/zinc/06/72/83/263067283.db2.gz OSQJGRWMVZTERL-UHFFFAOYSA-N 1 2 288.391 3.598 20 30 CHEDLO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)c(F)c1O ZINC000282224390 263075233 /nfs/dbraw/zinc/07/52/33/263075233.db2.gz ICOUTCAEYYXPDL-UNXYVOJBSA-N 1 2 294.345 3.651 20 30 CHEDLO CC[C@H]([NH2+]CCCCC#N)c1cccc(Cl)c1O ZINC000287765990 263102587 /nfs/dbraw/zinc/10/25/87/263102587.db2.gz RFWKCIFRAKDGJG-ZDUSSCGKSA-N 1 2 266.772 3.780 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763023 263181738 /nfs/dbraw/zinc/18/17/38/263181738.db2.gz RTYYHMIANWWXKU-MFKMUULPSA-N 1 2 278.758 3.529 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763023 263181740 /nfs/dbraw/zinc/18/17/40/263181740.db2.gz RTYYHMIANWWXKU-MFKMUULPSA-N 1 2 278.758 3.529 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1cccnc1 ZINC000340601920 263219570 /nfs/dbraw/zinc/21/95/70/263219570.db2.gz LRAWIRKVPHVMHR-CQSZACIVSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)c1cccnc1 ZINC000340601920 263219571 /nfs/dbraw/zinc/21/95/71/263219571.db2.gz LRAWIRKVPHVMHR-CQSZACIVSA-N 1 2 270.351 3.970 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000299452307 263242357 /nfs/dbraw/zinc/24/23/57/263242357.db2.gz SFWKYHZOBWQJLZ-SNVBAGLBSA-N 1 2 270.348 3.593 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000299452307 263242358 /nfs/dbraw/zinc/24/23/58/263242358.db2.gz SFWKYHZOBWQJLZ-SNVBAGLBSA-N 1 2 270.348 3.593 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000341999070 263375356 /nfs/dbraw/zinc/37/53/56/263375356.db2.gz WSAWIMQHXKABLG-UHFFFAOYSA-N 1 2 284.359 3.502 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)s1 ZINC000162789107 264334342 /nfs/dbraw/zinc/33/43/42/264334342.db2.gz JPIYZHGYJREJMP-UHFFFAOYSA-N 1 2 297.807 3.675 20 30 CHEDLO C=CC[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)s1 ZINC000162789107 264334344 /nfs/dbraw/zinc/33/43/44/264334344.db2.gz JPIYZHGYJREJMP-UHFFFAOYSA-N 1 2 297.807 3.675 20 30 CHEDLO C=CCCCN(C)c1cc(COC)[nH+]c2ccc(F)cc21 ZINC000357503181 266310254 /nfs/dbraw/zinc/31/02/54/266310254.db2.gz MYJYNHMZOUXADA-UHFFFAOYSA-N 1 2 288.366 3.923 20 30 CHEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000362959114 267067620 /nfs/dbraw/zinc/06/76/20/267067620.db2.gz YENOKXFVQCVQFM-CYBMUJFWSA-N 1 2 268.282 3.756 20 30 CHEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000362959114 267067623 /nfs/dbraw/zinc/06/76/23/267067623.db2.gz YENOKXFVQCVQFM-CYBMUJFWSA-N 1 2 268.282 3.756 20 30 CHEDLO C=CCCC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000368866563 267208772 /nfs/dbraw/zinc/20/87/72/267208772.db2.gz CUFRMQHMEKNUOI-UHFFFAOYSA-N 1 2 295.386 3.791 20 30 CHEDLO C(#Cc1ccccc1)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000370681487 267338900 /nfs/dbraw/zinc/33/89/00/267338900.db2.gz BFBBJWCSMPYKLW-NRFANRHFSA-N 1 2 298.389 3.812 20 30 CHEDLO CCCCCCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123499514 268056488 /nfs/dbraw/zinc/05/64/88/268056488.db2.gz VBALKXOCGFNOMO-HZPDHXFCSA-N 1 2 291.439 3.653 20 30 CHEDLO Cc1csc([C@@H]([NH2+]Cc2ccccc2C#N)C2CC2)n1 ZINC000179093482 327799174 /nfs/dbraw/zinc/79/91/74/327799174.db2.gz REDNFWWQWFDPPG-HNNXBMFYSA-N 1 2 283.400 3.564 20 30 CHEDLO Cc1cccc(CCSCCOc2cccc(C#N)c2)[nH+]1 ZINC000563143533 327929639 /nfs/dbraw/zinc/92/96/39/327929639.db2.gz ZGIITJUEHSCNDF-UHFFFAOYSA-N 1 2 298.411 3.616 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000563316715 328054328 /nfs/dbraw/zinc/05/43/28/328054328.db2.gz WJNQBABLDOFGTN-HNNXBMFYSA-N 1 2 286.419 3.811 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000569462555 327181745 /nfs/dbraw/zinc/18/17/45/327181745.db2.gz DJCBDBXXBWUAPZ-GFCCVEGCSA-N 1 2 286.272 3.511 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000569462555 327181747 /nfs/dbraw/zinc/18/17/47/327181747.db2.gz DJCBDBXXBWUAPZ-GFCCVEGCSA-N 1 2 286.272 3.511 20 30 CHEDLO CC#CC[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000559461272 327246679 /nfs/dbraw/zinc/24/66/79/327246679.db2.gz OFNNJUPTWFRNIJ-UHFFFAOYSA-N 1 2 262.422 3.646 20 30 CHEDLO CC#CC[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000559461272 327246680 /nfs/dbraw/zinc/24/66/80/327246680.db2.gz OFNNJUPTWFRNIJ-UHFFFAOYSA-N 1 2 262.422 3.646 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(C(F)(F)F)s2)c1 ZINC000562411811 327479703 /nfs/dbraw/zinc/47/97/03/327479703.db2.gz IENWEKFKMRQEHV-UHFFFAOYSA-N 1 2 297.305 3.840 20 30 CHEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cccc(C#N)n1 ZINC000535888427 328646208 /nfs/dbraw/zinc/64/62/08/328646208.db2.gz PKQWJWQUKNHOLC-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc2ccccc2n1 ZINC000173548631 329148966 /nfs/dbraw/zinc/14/89/66/329148966.db2.gz LHYNXJOPZGAJJD-UHFFFAOYSA-N 1 2 281.403 3.997 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc2ccccc2n1 ZINC000173548631 329148968 /nfs/dbraw/zinc/14/89/68/329148968.db2.gz LHYNXJOPZGAJJD-UHFFFAOYSA-N 1 2 281.403 3.997 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)s1 ZINC000179849450 329212865 /nfs/dbraw/zinc/21/28/65/329212865.db2.gz TWGZZIQQTLRFIB-UHFFFAOYSA-N 1 2 293.395 3.659 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)s1 ZINC000179849450 329212867 /nfs/dbraw/zinc/21/28/67/329212867.db2.gz TWGZZIQQTLRFIB-UHFFFAOYSA-N 1 2 293.395 3.659 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000184095504 329256111 /nfs/dbraw/zinc/25/61/11/329256111.db2.gz KWVLUGRTMPQBOK-INIZCTEOSA-N 1 2 283.350 3.670 20 30 CHEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186803981 329349261 /nfs/dbraw/zinc/34/92/61/329349261.db2.gz OEHBVRNTHSTFOX-LLVKDONJSA-N 1 2 274.751 3.998 20 30 CHEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186803981 329349262 /nfs/dbraw/zinc/34/92/62/329349262.db2.gz OEHBVRNTHSTFOX-LLVKDONJSA-N 1 2 274.751 3.998 20 30 CHEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)n1 ZINC000187504507 329358453 /nfs/dbraw/zinc/35/84/53/329358453.db2.gz HTNMNDNEJFMVCQ-SNVBAGLBSA-N 1 2 291.807 3.827 20 30 CHEDLO C=CCC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000188861374 329372740 /nfs/dbraw/zinc/37/27/40/329372740.db2.gz ILIODTMNOIVPND-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000189140076 329376451 /nfs/dbraw/zinc/37/64/51/329376451.db2.gz PHNGJXSDICWAFO-UHFFFAOYSA-N 1 2 299.349 3.696 20 30 CHEDLO Cc1cc2[nH+]cn(Cc3ccc(CC#N)cc3)c2cc1C ZINC000399130571 329448623 /nfs/dbraw/zinc/44/86/23/329448623.db2.gz NEKOAFHQXCLSKE-UHFFFAOYSA-N 1 2 275.355 3.768 20 30 CHEDLO N#Cc1cc(C[NH2+]C2(C(F)F)CCCCC2)ccc1F ZINC000510082013 332891453 /nfs/dbraw/zinc/89/14/53/332891453.db2.gz CBMSPXRPQVZKCA-UHFFFAOYSA-N 1 2 282.309 3.755 20 30 CHEDLO C=CCN(Cc1cccs1)Cc1c[nH+]c2ccc(C)cn12 ZINC000119949543 330381795 /nfs/dbraw/zinc/38/17/95/330381795.db2.gz NNHSIEPRIOFNRQ-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO CC(C)c1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433019418 330612454 /nfs/dbraw/zinc/61/24/54/330612454.db2.gz NSPFLDKOALPDHE-OAHLLOKOSA-N 1 2 298.390 3.718 20 30 CHEDLO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000446795345 330854231 /nfs/dbraw/zinc/85/42/31/330854231.db2.gz GXOJKNBRGZQOPB-JKSUJKDBSA-N 1 2 275.392 3.625 20 30 CHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450871212 331004034 /nfs/dbraw/zinc/00/40/34/331004034.db2.gz GJWPXYRUCRVGSR-HNNXBMFYSA-N 1 2 292.810 3.653 20 30 CHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450871212 331004035 /nfs/dbraw/zinc/00/40/35/331004035.db2.gz GJWPXYRUCRVGSR-HNNXBMFYSA-N 1 2 292.810 3.653 20 30 CHEDLO N#C[C@@H]1[N@H+](CCC2=CCCCC2)CCC[C@@]12CCCCO2 ZINC000450881427 331004531 /nfs/dbraw/zinc/00/45/31/331004531.db2.gz MDCMZPKDUXXGTE-ROUUACIJSA-N 1 2 288.435 3.804 20 30 CHEDLO N#C[C@@H]1[N@@H+](CCC2=CCCCC2)CCC[C@@]12CCCCO2 ZINC000450881427 331004532 /nfs/dbraw/zinc/00/45/32/331004532.db2.gz MDCMZPKDUXXGTE-ROUUACIJSA-N 1 2 288.435 3.804 20 30 CHEDLO C=CC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456846924 331207379 /nfs/dbraw/zinc/20/73/79/331207379.db2.gz UEYPOUXQSASOBU-GOSISDBHSA-N 1 2 294.398 3.675 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000463343368 331346279 /nfs/dbraw/zinc/34/62/79/331346279.db2.gz MKAOBBPBBWLBHU-UHFFFAOYSA-N 1 2 281.403 3.787 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000463343368 331346280 /nfs/dbraw/zinc/34/62/80/331346280.db2.gz MKAOBBPBBWLBHU-UHFFFAOYSA-N 1 2 281.403 3.787 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000510871844 332919376 /nfs/dbraw/zinc/91/93/76/332919376.db2.gz JBSSGVPSOHDQMO-CQSZACIVSA-N 1 2 282.309 3.744 20 30 CHEDLO Cc1cc2[nH+]cn(Cc3cccc(F)c3C#N)c2cc1C ZINC000488261718 331996426 /nfs/dbraw/zinc/99/64/26/331996426.db2.gz KDJOETBDIJHAJC-UHFFFAOYSA-N 1 2 279.318 3.712 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000489504180 332057174 /nfs/dbraw/zinc/05/71/74/332057174.db2.gz ZZNAAQVISDSQJG-NSHDSACASA-N 1 2 270.298 3.641 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000489504180 332057176 /nfs/dbraw/zinc/05/71/76/332057176.db2.gz ZZNAAQVISDSQJG-NSHDSACASA-N 1 2 270.298 3.641 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cncn1C(C)C)c1ccc(Cl)cc1 ZINC000491418807 332208215 /nfs/dbraw/zinc/20/82/15/332208215.db2.gz SKZBFRXGZAGZQF-MRXNPFEDSA-N 1 2 287.794 3.582 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1occc1C)c1ccc(Cl)cc1 ZINC000491650633 332264407 /nfs/dbraw/zinc/26/44/07/332264407.db2.gz AUWWAQGDRNUGON-CQSZACIVSA-N 1 2 259.736 3.706 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000491655458 332267547 /nfs/dbraw/zinc/26/75/47/332267547.db2.gz HCQTXTPGQRFARO-MRXNPFEDSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000491733111 332314511 /nfs/dbraw/zinc/31/45/11/332314511.db2.gz MPYPPKAEQJGODR-CYBMUJFWSA-N 1 2 276.792 3.569 20 30 CHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861556 332416513 /nfs/dbraw/zinc/41/65/13/332416513.db2.gz JVLXVXCHRDJHTA-KTKRTIGZSA-N 1 2 295.386 3.914 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000513491850 333022638 /nfs/dbraw/zinc/02/26/38/333022638.db2.gz VZZISPKWQBIESO-UHFFFAOYSA-N 1 2 284.172 3.740 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000186020576 333153564 /nfs/dbraw/zinc/15/35/64/333153564.db2.gz JSBVYZZDAPQOJE-GFCCVEGCSA-N 1 2 269.348 3.618 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229747946 333309245 /nfs/dbraw/zinc/30/92/45/333309245.db2.gz IHWHLVQJOWDADF-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229747946 333309246 /nfs/dbraw/zinc/30/92/46/333309246.db2.gz IHWHLVQJOWDADF-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C[N@H+](Cc1ccn(C2CCCC2)n1)Cc1cccc(C#N)c1 ZINC000315795513 333383865 /nfs/dbraw/zinc/38/38/65/333383865.db2.gz GZADLDLJEXBROO-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO C[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1cccc(C#N)c1 ZINC000315795513 333383866 /nfs/dbraw/zinc/38/38/66/333383866.db2.gz GZADLDLJEXBROO-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000547341382 334081477 /nfs/dbraw/zinc/08/14/77/334081477.db2.gz PNPNOVTXJBQFPC-UHFFFAOYSA-N 1 2 291.276 3.779 20 30 CHEDLO C[N@@H+](CC#Cc1ccccc1Cl)CCC(F)(F)F ZINC000135024401 334112530 /nfs/dbraw/zinc/11/25/30/334112530.db2.gz VYVOTMDWRSJWIY-UHFFFAOYSA-N 1 2 275.701 3.576 20 30 CHEDLO C[N@H+](CC#Cc1ccccc1Cl)CCC(F)(F)F ZINC000135024401 334112531 /nfs/dbraw/zinc/11/25/31/334112531.db2.gz VYVOTMDWRSJWIY-UHFFFAOYSA-N 1 2 275.701 3.576 20 30 CHEDLO C=CCC[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000547959195 334131475 /nfs/dbraw/zinc/13/14/75/334131475.db2.gz DVDIJERSZLSINB-QGZVFWFLSA-N 1 2 294.398 3.809 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000548926131 334180612 /nfs/dbraw/zinc/18/06/12/334180612.db2.gz NCGXNAAKGAGMNF-HNNXBMFYSA-N 1 2 297.402 3.541 20 30 CHEDLO C=CCC[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000549341435 334190327 /nfs/dbraw/zinc/19/03/27/334190327.db2.gz XUGSMFDPEXLUKO-UHFFFAOYSA-N 1 2 260.768 3.686 20 30 CHEDLO C=CCC[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000549341435 334190328 /nfs/dbraw/zinc/19/03/28/334190328.db2.gz XUGSMFDPEXLUKO-UHFFFAOYSA-N 1 2 260.768 3.686 20 30 CHEDLO N#CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000551428666 334250145 /nfs/dbraw/zinc/25/01/45/334250145.db2.gz WKHXHQBENWLSAC-LSDHHAIUSA-N 1 2 262.784 3.869 20 30 CHEDLO C=CCC(C)(C)c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000551497433 334251684 /nfs/dbraw/zinc/25/16/84/334251684.db2.gz YQCNDUTYLSOHGF-CQSZACIVSA-N 1 2 285.391 3.574 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(Br)c1)CC(C)(C)C#N ZINC000552085057 334287389 /nfs/dbraw/zinc/28/73/89/334287389.db2.gz NFQVRAJUMDSQKV-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(Br)c1)CC(C)(C)C#N ZINC000552085057 334287390 /nfs/dbraw/zinc/28/73/90/334287390.db2.gz NFQVRAJUMDSQKV-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cccc(C3CC3)c2)c1 ZINC000572950932 334893971 /nfs/dbraw/zinc/89/39/71/334893971.db2.gz DMCNWHFASVAENT-UHFFFAOYSA-N 1 2 263.344 3.637 20 30 CHEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 ZINC000184454792 335926416 /nfs/dbraw/zinc/92/64/16/335926416.db2.gz QRAAMKGZNAETRW-NWDGAFQWSA-N 1 2 290.436 3.535 20 30 CHEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329235779 534386304 /nfs/dbraw/zinc/38/63/04/534386304.db2.gz IXEWDWXPBQFLKO-RRFJBIMHSA-N 1 2 287.407 3.993 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@H]1c1cccnc1 ZINC000292686183 520475752 /nfs/dbraw/zinc/47/57/52/520475752.db2.gz AZUHWMCTYGQTJX-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@H]1c1cccnc1 ZINC000292686183 520475759 /nfs/dbraw/zinc/47/57/59/520475759.db2.gz AZUHWMCTYGQTJX-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCC(C)(C)C3)ccc2[nH+]1 ZINC000329067047 534512769 /nfs/dbraw/zinc/51/27/69/534512769.db2.gz LSKUBUIRQVWSAP-GFCCVEGCSA-N 1 2 286.379 3.547 20 30 CHEDLO N#Cc1ccc(SCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000356067041 534799049 /nfs/dbraw/zinc/79/90/49/534799049.db2.gz WHRXSGVQWBWWSJ-UHFFFAOYSA-N 1 2 283.331 3.637 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000353305741 526904194 /nfs/dbraw/zinc/90/41/94/526904194.db2.gz DBSNOGPYTFDZEE-UHFFFAOYSA-N 1 2 272.211 3.663 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(C2CCC2)cc1 ZINC000353584813 527660116 /nfs/dbraw/zinc/66/01/16/527660116.db2.gz LMFMRWXDPWUJQL-UHFFFAOYSA-N 1 2 254.377 3.856 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C2CCC2)cc1 ZINC000353584813 527660120 /nfs/dbraw/zinc/66/01/20/527660120.db2.gz LMFMRWXDPWUJQL-UHFFFAOYSA-N 1 2 254.377 3.856 20 30 CHEDLO CC(C)c1ccc(C[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356081071 528093271 /nfs/dbraw/zinc/09/32/71/528093271.db2.gz FDYSJMMNHNKKMU-UHFFFAOYSA-N 1 2 285.416 3.770 20 30 CHEDLO CC(C)c1ccc(C[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356081071 528093274 /nfs/dbraw/zinc/09/32/74/528093274.db2.gz FDYSJMMNHNKKMU-UHFFFAOYSA-N 1 2 285.416 3.770 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC)ccc1F ZINC000351403142 528750670 /nfs/dbraw/zinc/75/06/70/528750670.db2.gz XNJPUTXOWGPAGJ-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)ccc1F ZINC000351403142 528750674 /nfs/dbraw/zinc/75/06/74/528750674.db2.gz XNJPUTXOWGPAGJ-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CC1(C)CC(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000329157593 528879103 /nfs/dbraw/zinc/87/91/03/528879103.db2.gz DFQVQNDGXLGXLP-UHFFFAOYSA-N 1 2 283.375 3.969 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000127449734 1125460692 /nfs/dbraw/zinc/46/06/92/1125460692.db2.gz IPEXBYCBAYMGCZ-CQSZACIVSA-N 1 2 299.805 3.873 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000127449734 1125460694 /nfs/dbraw/zinc/46/06/94/1125460694.db2.gz IPEXBYCBAYMGCZ-CQSZACIVSA-N 1 2 299.805 3.873 20 30 CHEDLO C=CCOCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000549806805 1121453098 /nfs/dbraw/zinc/45/30/98/1121453098.db2.gz SXEPBQOKQLNQIZ-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC=C(Br)C1 ZINC000281767368 1123744792 /nfs/dbraw/zinc/74/47/92/1123744792.db2.gz ZHXAICAQDQORLE-NSHDSACASA-N 1 2 291.192 3.604 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC=C(Br)C1 ZINC000281767368 1123744794 /nfs/dbraw/zinc/74/47/94/1123744794.db2.gz ZHXAICAQDQORLE-NSHDSACASA-N 1 2 291.192 3.604 20 30 CHEDLO CSCCO[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000794574189 1123904110 /nfs/dbraw/zinc/90/41/10/1123904110.db2.gz YSLRTDFNVWVUMX-UHFFFAOYSA-N 1 2 293.219 3.679 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)s1 ZINC000352842711 1125399030 /nfs/dbraw/zinc/39/90/30/1125399030.db2.gz WYCLFCUBGGRQAP-ZETCQYMHSA-N 1 2 283.809 3.580 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccccc1SC ZINC001231784456 1132358703 /nfs/dbraw/zinc/35/87/03/1132358703.db2.gz JCXQMTLEDNRLAI-UHFFFAOYSA-N 1 2 262.422 3.924 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1SC ZINC001231784456 1132358711 /nfs/dbraw/zinc/35/87/11/1132358711.db2.gz JCXQMTLEDNRLAI-UHFFFAOYSA-N 1 2 262.422 3.924 20 30 CHEDLO CC(C)(C)c1ccc(N2CCC[C@H](CC#N)C2)[nH+]c1 ZINC001166741464 1133284087 /nfs/dbraw/zinc/28/40/87/1133284087.db2.gz DPHCAQFUZPORPU-CYBMUJFWSA-N 1 2 257.381 3.509 20 30 CHEDLO C[C@H](CC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653842 1133923076 /nfs/dbraw/zinc/92/30/76/1133923076.db2.gz JALLKTIQHBPVKJ-OCCSQVGLSA-N 1 2 281.465 3.723 20 30 CHEDLO C[C@H](CC[N@H+]1CC[C@@H]2SC(=O)C=C2C1)CC(C)(C)C ZINC001208653842 1133923080 /nfs/dbraw/zinc/92/30/80/1133923080.db2.gz JALLKTIQHBPVKJ-OCCSQVGLSA-N 1 2 281.465 3.723 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cscn1 ZINC000536628029 1125512573 /nfs/dbraw/zinc/51/25/73/1125512573.db2.gz SLZSPTGEAQDZTQ-LBPRGKRZSA-N 1 2 274.389 3.559 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120583073 1125548751 /nfs/dbraw/zinc/54/87/51/1125548751.db2.gz ZPFUWBGHHUZSMD-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120583073 1125548756 /nfs/dbraw/zinc/54/87/56/1125548756.db2.gz ZPFUWBGHHUZSMD-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO CCCCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC ZINC000093090725 1125764945 /nfs/dbraw/zinc/76/49/45/1125764945.db2.gz AOIFSJBMYWMZIM-CQSZACIVSA-N 1 2 290.407 3.608 20 30 CHEDLO CCCCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC ZINC000093090725 1125764950 /nfs/dbraw/zinc/76/49/50/1125764950.db2.gz AOIFSJBMYWMZIM-CQSZACIVSA-N 1 2 290.407 3.608 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000093090383 1125765187 /nfs/dbraw/zinc/76/51/87/1125765187.db2.gz SYFDBJPFTBPHED-ZDUSSCGKSA-N 1 2 254.333 3.681 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000093090383 1125765193 /nfs/dbraw/zinc/76/51/93/1125765193.db2.gz SYFDBJPFTBPHED-ZDUSSCGKSA-N 1 2 254.333 3.681 20 30 CHEDLO C=C1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000887889291 1126743251 /nfs/dbraw/zinc/74/32/51/1126743251.db2.gz GVFIUJHVVCNVGC-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000338383284 1126739628 /nfs/dbraw/zinc/73/96/28/1126739628.db2.gz PVQAOFURMQPOIG-NSHDSACASA-N 1 2 293.208 3.573 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000338383284 1126739629 /nfs/dbraw/zinc/73/96/29/1126739629.db2.gz PVQAOFURMQPOIG-NSHDSACASA-N 1 2 293.208 3.573 20 30 CHEDLO CC(C)n1ccnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000160870633 1126780689 /nfs/dbraw/zinc/78/06/89/1126780689.db2.gz IAEHWEXQUGQBRI-UHFFFAOYSA-N 1 2 296.418 3.746 20 30 CHEDLO CC(C)n1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000160870633 1126780693 /nfs/dbraw/zinc/78/06/93/1126780693.db2.gz IAEHWEXQUGQBRI-UHFFFAOYSA-N 1 2 296.418 3.746 20 30 CHEDLO CCCCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178390254 1126812923 /nfs/dbraw/zinc/81/29/23/1126812923.db2.gz IRMSRIOQXPLKNE-UHFFFAOYSA-N 1 2 259.397 3.768 20 30 CHEDLO CCCCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178390254 1126812925 /nfs/dbraw/zinc/81/29/25/1126812925.db2.gz IRMSRIOQXPLKNE-UHFFFAOYSA-N 1 2 259.397 3.768 20 30 CHEDLO COc1ccccc1CCC[N@H+](CCC#N)Cc1ccco1 ZINC000182529586 1126873367 /nfs/dbraw/zinc/87/33/67/1126873367.db2.gz WSKCRQDDMQKDAF-UHFFFAOYSA-N 1 2 298.386 3.637 20 30 CHEDLO COc1ccccc1CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000182529586 1126873371 /nfs/dbraw/zinc/87/33/71/1126873371.db2.gz WSKCRQDDMQKDAF-UHFFFAOYSA-N 1 2 298.386 3.637 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000187706855 1126913914 /nfs/dbraw/zinc/91/39/14/1126913914.db2.gz AOMUZRFRJLITNR-DYVFJYSZSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000187706855 1126913917 /nfs/dbraw/zinc/91/39/17/1126913917.db2.gz AOMUZRFRJLITNR-DYVFJYSZSA-N 1 2 298.411 3.754 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cc(Cl)cc2Cl)C1 ZINC001235749565 1130776726 /nfs/dbraw/zinc/77/67/26/1130776726.db2.gz GXYDCOLXWZXJDO-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)cc(Cl)cc2Cl)C1 ZINC001235749565 1130776732 /nfs/dbraw/zinc/77/67/32/1130776732.db2.gz GXYDCOLXWZXJDO-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO CC(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)n1 ZINC001238730934 1131239209 /nfs/dbraw/zinc/23/92/09/1131239209.db2.gz KAUIAHVCSMMKOH-UHFFFAOYSA-N 1 2 291.826 3.984 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1sccc1Br ZINC000129203080 1127006917 /nfs/dbraw/zinc/00/69/17/1127006917.db2.gz HIBRIRRZQZEKCR-MRVPVSSYSA-N 1 2 287.226 3.711 20 30 CHEDLO Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001236603792 1130981842 /nfs/dbraw/zinc/98/18/42/1130981842.db2.gz BKIKYEYURSWVJR-LLVKDONJSA-N 1 2 298.217 3.823 20 30 CHEDLO Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001236603792 1130981843 /nfs/dbraw/zinc/98/18/43/1130981843.db2.gz BKIKYEYURSWVJR-LLVKDONJSA-N 1 2 298.217 3.823 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000271123578 1127069741 /nfs/dbraw/zinc/06/97/41/1127069741.db2.gz JFKAMEXOOZMAKF-SECBINFHSA-N 1 2 288.725 3.533 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000271123578 1127069746 /nfs/dbraw/zinc/06/97/46/1127069746.db2.gz JFKAMEXOOZMAKF-SECBINFHSA-N 1 2 288.725 3.533 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)c(Cl)c1O ZINC001236814765 1131014921 /nfs/dbraw/zinc/01/49/21/1131014921.db2.gz YMBBEAFGXUPKHX-UHFFFAOYSA-N 1 2 296.798 3.570 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)c(Cl)c1O ZINC001236814765 1131014927 /nfs/dbraw/zinc/01/49/27/1131014927.db2.gz YMBBEAFGXUPKHX-UHFFFAOYSA-N 1 2 296.798 3.570 20 30 CHEDLO C=C(C)C[N@H+](Cc1ccc(Cl)o1)Cc1ccc(CO)o1 ZINC000348651519 1127123515 /nfs/dbraw/zinc/12/35/15/1127123515.db2.gz UDBKSLIVKLQLIV-UHFFFAOYSA-N 1 2 295.766 3.597 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ccc(Cl)o1)Cc1ccc(CO)o1 ZINC000348651519 1127123517 /nfs/dbraw/zinc/12/35/17/1127123517.db2.gz UDBKSLIVKLQLIV-UHFFFAOYSA-N 1 2 295.766 3.597 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(F)c3)n2c1 ZINC000151375294 1127133533 /nfs/dbraw/zinc/13/35/33/1127133533.db2.gz SGBPDCRXEXTXIO-VOTSOKGWSA-N 1 2 280.302 3.678 20 30 CHEDLO CCC(C)(C)c1ccc(C[N@@H+](CCC#N)CCOC)cc1 ZINC000586766016 1127139225 /nfs/dbraw/zinc/13/92/25/1127139225.db2.gz IWBINRWBIZRVDS-UHFFFAOYSA-N 1 2 288.435 3.736 20 30 CHEDLO CCC(C)(C)c1ccc(C[N@H+](CCC#N)CCOC)cc1 ZINC000586766016 1127139228 /nfs/dbraw/zinc/13/92/28/1127139228.db2.gz IWBINRWBIZRVDS-UHFFFAOYSA-N 1 2 288.435 3.736 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000352458767 1127233703 /nfs/dbraw/zinc/23/37/03/1127233703.db2.gz OOSJVCRZTWCIKT-UHFFFAOYSA-N 1 2 286.272 3.533 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166109 1127249783 /nfs/dbraw/zinc/24/97/83/1127249783.db2.gz PWUQHWWSYCTKBL-AAEUAGOBSA-N 1 2 299.805 3.872 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166109 1127249788 /nfs/dbraw/zinc/24/97/88/1127249788.db2.gz PWUQHWWSYCTKBL-AAEUAGOBSA-N 1 2 299.805 3.872 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cccc(Cl)c1C(=O)OCC ZINC001238043596 1131165261 /nfs/dbraw/zinc/16/52/61/1131165261.db2.gz HIYPSIXRYSGKJO-UHFFFAOYSA-N 1 2 293.794 3.691 20 30 CHEDLO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000590778703 1127271847 /nfs/dbraw/zinc/27/18/47/1127271847.db2.gz NBRKNTCVOCJASZ-ZIAGYGMSSA-N 1 2 264.319 3.569 20 30 CHEDLO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000590778700 1127272359 /nfs/dbraw/zinc/27/23/59/1127272359.db2.gz NBRKNTCVOCJASZ-KBPBESRZSA-N 1 2 264.319 3.569 20 30 CHEDLO C[C@H](c1ccccc1)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592072444 1127334586 /nfs/dbraw/zinc/33/45/86/1127334586.db2.gz DZRFQKRENBTNGN-CQSZACIVSA-N 1 2 277.371 3.679 20 30 CHEDLO C[C@H](c1ccccc1)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592072444 1127334589 /nfs/dbraw/zinc/33/45/89/1127334589.db2.gz DZRFQKRENBTNGN-CQSZACIVSA-N 1 2 277.371 3.679 20 30 CHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592071984 1127334699 /nfs/dbraw/zinc/33/46/99/1127334699.db2.gz ALHPMINFZAHVBZ-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071984 1127334703 /nfs/dbraw/zinc/33/47/03/1127334703.db2.gz ALHPMINFZAHVBZ-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO N#Cc1ccccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592144520 1127339292 /nfs/dbraw/zinc/33/92/92/1127339292.db2.gz KYHCIRNJLMZRDR-UHFFFAOYSA-N 1 2 280.346 3.866 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593650571 1127393452 /nfs/dbraw/zinc/39/34/52/1127393452.db2.gz VKZHRIGXFQDKET-JSGCOSHPSA-N 1 2 258.365 3.577 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@H+](CCC#N)CC1CC1 ZINC000593960224 1127404358 /nfs/dbraw/zinc/40/43/58/1127404358.db2.gz PYSXGLNJWIICLD-UHFFFAOYSA-N 1 2 286.419 3.944 20 30 CHEDLO COc1ccc(C(C)C)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000593960224 1127404359 /nfs/dbraw/zinc/40/43/59/1127404359.db2.gz PYSXGLNJWIICLD-UHFFFAOYSA-N 1 2 286.419 3.944 20 30 CHEDLO C=C(CC)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000358510228 1127424326 /nfs/dbraw/zinc/42/43/26/1127424326.db2.gz OYIXGHXLCZWTHX-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C=C(CC)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000358510228 1127424327 /nfs/dbraw/zinc/42/43/27/1127424327.db2.gz OYIXGHXLCZWTHX-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000594733956 1127429792 /nfs/dbraw/zinc/42/97/92/1127429792.db2.gz CFDXTDAYTAIYMW-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO N#CC1(c2ccc(C[NH2+][C@H]3CCCC3(F)F)cc2)CC1 ZINC000594958821 1127439928 /nfs/dbraw/zinc/43/99/28/1127439928.db2.gz VJQXKSQNENTMRY-AWEZNQCLSA-N 1 2 276.330 3.519 20 30 CHEDLO CCc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)o1 ZINC000595090926 1127454990 /nfs/dbraw/zinc/45/49/90/1127454990.db2.gz LBLNWAZUOXDSBX-CYBMUJFWSA-N 1 2 260.381 3.967 20 30 CHEDLO N#C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000595096103 1127455252 /nfs/dbraw/zinc/45/52/52/1127455252.db2.gz VMKDHVNHBGFIRG-BXUZGUMPSA-N 1 2 282.309 3.589 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000595431456 1127462950 /nfs/dbraw/zinc/46/29/50/1127462950.db2.gz QDJPYJWHZRZKMX-UHFFFAOYSA-N 1 2 298.308 3.553 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)ccn1 ZINC000595673476 1127472054 /nfs/dbraw/zinc/47/20/54/1127472054.db2.gz FLKMWJVHGSCMTI-QGZVFWFLSA-N 1 2 293.370 3.664 20 30 CHEDLO N#Cc1cc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)ccn1 ZINC000595673476 1127472056 /nfs/dbraw/zinc/47/20/56/1127472056.db2.gz FLKMWJVHGSCMTI-QGZVFWFLSA-N 1 2 293.370 3.664 20 30 CHEDLO C[C@H](C#N)[N@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000595709655 1127473577 /nfs/dbraw/zinc/47/35/77/1127473577.db2.gz HWQUGRZLRDGULP-VOMCLLRMSA-N 1 2 274.330 3.732 20 30 CHEDLO C[C@H](C#N)[N@@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000595709655 1127473579 /nfs/dbraw/zinc/47/35/79/1127473579.db2.gz HWQUGRZLRDGULP-VOMCLLRMSA-N 1 2 274.330 3.732 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@H+](CCC1CC1)CC1CC1 ZINC000595871829 1127479922 /nfs/dbraw/zinc/47/99/22/1127479922.db2.gz RNNGEUGNANZDNK-KRWDZBQOSA-N 1 2 254.377 3.763 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@@H+](CCC1CC1)CC1CC1 ZINC000595871829 1127479923 /nfs/dbraw/zinc/47/99/23/1127479923.db2.gz RNNGEUGNANZDNK-KRWDZBQOSA-N 1 2 254.377 3.763 20 30 CHEDLO CC(C)c1cc(N2CCC[C@@H](CC#N)C2)nc(C(C)C)[nH+]1 ZINC000596329621 1127492752 /nfs/dbraw/zinc/49/27/52/1127492752.db2.gz MJSFQUDRPLEODR-AWEZNQCLSA-N 1 2 286.423 3.853 20 30 CHEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](CC#N)C1 ZINC000596330151 1127493371 /nfs/dbraw/zinc/49/33/71/1127493371.db2.gz PKMPQADGTPJFBT-CQSZACIVSA-N 1 2 295.386 3.682 20 30 CHEDLO Cc1cccc2[nH]c(C[N@@H+](C[C@H](C)C#N)C3CC3)cc21 ZINC000597025873 1127525207 /nfs/dbraw/zinc/52/52/07/1127525207.db2.gz IIIZVHWHKHUMNG-GFCCVEGCSA-N 1 2 267.376 3.600 20 30 CHEDLO Cc1cccc2[nH]c(C[N@H+](C[C@H](C)C#N)C3CC3)cc21 ZINC000597025873 1127525209 /nfs/dbraw/zinc/52/52/09/1127525209.db2.gz IIIZVHWHKHUMNG-GFCCVEGCSA-N 1 2 267.376 3.600 20 30 CHEDLO Cc1ccc2cc(C[N@@H+](C[C@@H](C)C#N)C3CC3)[nH]c2c1 ZINC000597025611 1127525283 /nfs/dbraw/zinc/52/52/83/1127525283.db2.gz GVFKRRKCDCQQST-ZDUSSCGKSA-N 1 2 267.376 3.600 20 30 CHEDLO Cc1ccc2cc(C[N@H+](C[C@@H](C)C#N)C3CC3)[nH]c2c1 ZINC000597025611 1127525287 /nfs/dbraw/zinc/52/52/87/1127525287.db2.gz GVFKRRKCDCQQST-ZDUSSCGKSA-N 1 2 267.376 3.600 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000597228705 1127534812 /nfs/dbraw/zinc/53/48/12/1127534812.db2.gz GEMYTAVUTUNPJY-QGZVFWFLSA-N 1 2 284.334 3.821 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000597228705 1127534814 /nfs/dbraw/zinc/53/48/14/1127534814.db2.gz GEMYTAVUTUNPJY-QGZVFWFLSA-N 1 2 284.334 3.821 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230880 1127535826 /nfs/dbraw/zinc/53/58/26/1127535826.db2.gz UQGMEEUFZKXIBO-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230880 1127535828 /nfs/dbraw/zinc/53/58/28/1127535828.db2.gz UQGMEEUFZKXIBO-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@@H]1c1ccncc1 ZINC000293972147 1127537748 /nfs/dbraw/zinc/53/77/48/1127537748.db2.gz QQZSYYKUQOXWQJ-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@H]1c1ccncc1 ZINC000293972147 1127537751 /nfs/dbraw/zinc/53/77/51/1127537751.db2.gz QQZSYYKUQOXWQJ-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO N#Cc1c(Cl)cccc1NCCc1cn2ccccc2[nH+]1 ZINC000602084868 1127558694 /nfs/dbraw/zinc/55/86/94/1127558694.db2.gz MBWZYVHXIXRCQA-UHFFFAOYSA-N 1 2 296.761 3.514 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000361595519 1127575163 /nfs/dbraw/zinc/57/51/63/1127575163.db2.gz WJOOMNIRTUKZIK-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000361595519 1127575166 /nfs/dbraw/zinc/57/51/66/1127575166.db2.gz WJOOMNIRTUKZIK-UHFFFAOYSA-N 1 2 266.319 3.522 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1oc2ccccc2c1Cl ZINC000602607895 1127599307 /nfs/dbraw/zinc/59/93/07/1127599307.db2.gz NGYAIKPTDUXZII-UHFFFAOYSA-N 1 2 262.740 3.726 20 30 CHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1N)CC(C)(C)C#N ZINC000602676081 1127602922 /nfs/dbraw/zinc/60/29/22/1127602922.db2.gz QKMCQNOVMDCNIC-UHFFFAOYSA-N 1 2 286.206 3.557 20 30 CHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1N)CC(C)(C)C#N ZINC000602676081 1127602924 /nfs/dbraw/zinc/60/29/24/1127602924.db2.gz QKMCQNOVMDCNIC-UHFFFAOYSA-N 1 2 286.206 3.557 20 30 CHEDLO N#CCC1(C[N@@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000602832583 1127616264 /nfs/dbraw/zinc/61/62/64/1127616264.db2.gz KCBYNGLZLOCUJT-UHFFFAOYSA-N 1 2 279.387 3.541 20 30 CHEDLO N#CCC1(C[N@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000602832583 1127616265 /nfs/dbraw/zinc/61/62/65/1127616265.db2.gz KCBYNGLZLOCUJT-UHFFFAOYSA-N 1 2 279.387 3.541 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602801420 1127614372 /nfs/dbraw/zinc/61/43/72/1127614372.db2.gz DBQQZCLJNIEIQW-SFHVURJKSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000602801420 1127614376 /nfs/dbraw/zinc/61/43/76/1127614376.db2.gz DBQQZCLJNIEIQW-SFHVURJKSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981989 1127623849 /nfs/dbraw/zinc/62/38/49/1127623849.db2.gz MCYNKASYXITTOJ-YOEHRIQHSA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981989 1127623852 /nfs/dbraw/zinc/62/38/52/1127623852.db2.gz MCYNKASYXITTOJ-YOEHRIQHSA-N 1 2 271.408 3.638 20 30 CHEDLO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602976233 1127624806 /nfs/dbraw/zinc/62/48/06/1127624806.db2.gz NBQWFKKBMDTZLL-DYVFJYSZSA-N 1 2 299.349 3.605 20 30 CHEDLO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602976233 1127624809 /nfs/dbraw/zinc/62/48/09/1127624809.db2.gz NBQWFKKBMDTZLL-DYVFJYSZSA-N 1 2 299.349 3.605 20 30 CHEDLO CCCc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000598674429 1127632686 /nfs/dbraw/zinc/63/26/86/1127632686.db2.gz XBEJJONJPCPGLM-LBPRGKRZSA-N 1 2 262.422 3.825 20 30 CHEDLO CCCc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000598674429 1127632688 /nfs/dbraw/zinc/63/26/88/1127632688.db2.gz XBEJJONJPCPGLM-LBPRGKRZSA-N 1 2 262.422 3.825 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CC1(c2ccccc2)CCC1 ZINC000011121436 1127766339 /nfs/dbraw/zinc/76/63/39/1127766339.db2.gz KDUAUWSJHOZRNG-CPNJWEJPSA-N 1 2 265.356 3.933 20 30 CHEDLO CC#CC[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000607723961 1127825228 /nfs/dbraw/zinc/82/52/28/1127825228.db2.gz WCUANIXOVLXRTJ-UHFFFAOYSA-N 1 2 285.412 3.782 20 30 CHEDLO CC#CC[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000607723961 1127825230 /nfs/dbraw/zinc/82/52/30/1127825230.db2.gz WCUANIXOVLXRTJ-UHFFFAOYSA-N 1 2 285.412 3.782 20 30 CHEDLO C[C@H](CCC#N)[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000411693849 1127870138 /nfs/dbraw/zinc/87/01/38/1127870138.db2.gz MSLGASBAVHYNCD-DOMZBBRYSA-N 1 2 280.774 3.903 20 30 CHEDLO C[C@H](CCC#N)[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000411693849 1127870143 /nfs/dbraw/zinc/87/01/43/1127870143.db2.gz MSLGASBAVHYNCD-DOMZBBRYSA-N 1 2 280.774 3.903 20 30 CHEDLO CCCC[N@H+](CC#N)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256824729 1127975158 /nfs/dbraw/zinc/97/51/58/1127975158.db2.gz PITIZACIHRETOQ-SJORKVTESA-N 1 2 272.392 3.532 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256824729 1127975161 /nfs/dbraw/zinc/97/51/61/1127975161.db2.gz PITIZACIHRETOQ-SJORKVTESA-N 1 2 272.392 3.532 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(F)nc1C)c1ccc(Cl)cc1 ZINC000491338895 1128062028 /nfs/dbraw/zinc/06/20/28/1128062028.db2.gz MIPCCQYBNTZCGQ-OAHLLOKOSA-N 1 2 288.753 3.647 20 30 CHEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000925601000 1128133380 /nfs/dbraw/zinc/13/33/80/1128133380.db2.gz IYVNGIOZWGDYHT-HOTGVXAUSA-N 1 2 295.386 3.995 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)CC(C)(C)C#N ZINC000925720376 1128138232 /nfs/dbraw/zinc/13/82/32/1128138232.db2.gz GYCCWPAZKUMMKV-ZDUSSCGKSA-N 1 2 259.397 3.801 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925720376 1128138235 /nfs/dbraw/zinc/13/82/35/1128138235.db2.gz GYCCWPAZKUMMKV-ZDUSSCGKSA-N 1 2 259.397 3.801 20 30 CHEDLO C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000925760254 1128140807 /nfs/dbraw/zinc/14/08/07/1128140807.db2.gz WCAYLSNIOQKECA-CQSZACIVSA-N 1 2 286.423 3.812 20 30 CHEDLO CC[C@@H](Nc1ccc([NH+](C)C)cc1)c1cccc(C#N)c1O ZINC000926028758 1128150217 /nfs/dbraw/zinc/15/02/17/1128150217.db2.gz VCZKLUAJFDJRBP-QGZVFWFLSA-N 1 2 295.386 3.893 20 30 CHEDLO CC[C@@H]([NH2+]CC1(SC)CCC1)c1cccc(C#N)c1O ZINC000926312349 1128166513 /nfs/dbraw/zinc/16/65/13/1128166513.db2.gz AKKMNVSIXJEUFJ-CQSZACIVSA-N 1 2 290.432 3.590 20 30 CHEDLO C=CC[N@@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000494635218 1128184401 /nfs/dbraw/zinc/18/44/01/1128184401.db2.gz YVMDLCVIGQUGSR-UHFFFAOYSA-N 1 2 298.173 3.661 20 30 CHEDLO C=CC[N@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000494635218 1128184404 /nfs/dbraw/zinc/18/44/04/1128184404.db2.gz YVMDLCVIGQUGSR-UHFFFAOYSA-N 1 2 298.173 3.661 20 30 CHEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NC12CC(C1)C2 ZINC000842544702 1128236870 /nfs/dbraw/zinc/23/68/70/1128236870.db2.gz XQXDLXFJHBOYBQ-UHFFFAOYSA-N 1 2 298.217 3.535 20 30 CHEDLO CC(C)n1c[nH+]cc1CNc1cccc(OCCCC#N)c1 ZINC000316701168 1128336222 /nfs/dbraw/zinc/33/62/22/1128336222.db2.gz CGQQTXLAFWIQMV-UHFFFAOYSA-N 1 2 298.390 3.759 20 30 CHEDLO CC(C)(C#N)CC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000561887346 1128360062 /nfs/dbraw/zinc/36/00/62/1128360062.db2.gz UVIRNVKEPCHARE-UHFFFAOYSA-N 1 2 278.346 3.869 20 30 CHEDLO CC(C)(C#N)CC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000561887346 1128360066 /nfs/dbraw/zinc/36/00/66/1128360066.db2.gz UVIRNVKEPCHARE-UHFFFAOYSA-N 1 2 278.346 3.869 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000562261957 1128391261 /nfs/dbraw/zinc/39/12/61/1128391261.db2.gz VDYUXBAOKGUOLV-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000562261957 1128391266 /nfs/dbraw/zinc/39/12/66/1128391266.db2.gz VDYUXBAOKGUOLV-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000932153142 1128396933 /nfs/dbraw/zinc/39/69/33/1128396933.db2.gz VYXHJYRVBSFKBV-NHYWBVRUSA-N 1 2 260.768 3.563 20 30 CHEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000932153142 1128396938 /nfs/dbraw/zinc/39/69/38/1128396938.db2.gz VYXHJYRVBSFKBV-NHYWBVRUSA-N 1 2 260.768 3.563 20 30 CHEDLO Fc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000917022420 1128468695 /nfs/dbraw/zinc/46/86/95/1128468695.db2.gz ARCVPNSSXXCWML-UHFFFAOYSA-N 1 2 298.296 3.597 20 30 CHEDLO CCCOc1ccc(C[N@H+](CC)CCC#N)cc1OCC ZINC000127637265 1128481086 /nfs/dbraw/zinc/48/10/86/1128481086.db2.gz PXGOJDFJXDOWFL-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO CCCOc1ccc(C[N@@H+](CC)CCC#N)cc1OCC ZINC000127637265 1128481088 /nfs/dbraw/zinc/48/10/88/1128481088.db2.gz PXGOJDFJXDOWFL-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO Cc1nc(C[NH2+][C@H](CCC#N)c2ccccc2)cs1 ZINC000130570103 1128586988 /nfs/dbraw/zinc/58/69/88/1128586988.db2.gz RYDRAYLADDSGKW-OAHLLOKOSA-N 1 2 271.389 3.586 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2c(Cl)oc3ccccc32)nc1 ZINC000780555795 1128592739 /nfs/dbraw/zinc/59/27/39/1128592739.db2.gz SKXUNWVRWWYHMC-UHFFFAOYSA-N 1 2 297.745 3.643 20 30 CHEDLO C=CCC[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000570651654 1128628894 /nfs/dbraw/zinc/62/88/94/1128628894.db2.gz OVFOSFUSXXJMLE-UHFFFAOYSA-N 1 2 260.768 3.686 20 30 CHEDLO C=CCC[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000570651654 1128628896 /nfs/dbraw/zinc/62/88/96/1128628896.db2.gz OVFOSFUSXXJMLE-UHFFFAOYSA-N 1 2 260.768 3.686 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCC[C@@H]2C)c1O ZINC000920387681 1128679881 /nfs/dbraw/zinc/67/98/81/1128679881.db2.gz SJVDPZYMIDWKFV-VYBPFTPOSA-N 1 2 261.365 3.646 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCCC[C@H]2C)c1O ZINC000920387680 1128679934 /nfs/dbraw/zinc/67/99/34/1128679934.db2.gz SJVDPZYMIDWKFV-PDNFYRSKSA-N 1 2 261.365 3.646 20 30 CHEDLO Oc1cccc(/C=[NH+]\CCCn2ccc3ccccc32)c1O ZINC000920944515 1128696171 /nfs/dbraw/zinc/69/61/71/1128696171.db2.gz NFTPTFMUQIGNAZ-UYRXBGFRSA-N 1 2 294.354 3.562 20 30 CHEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CC=CCC2)c1O ZINC000920990746 1128696596 /nfs/dbraw/zinc/69/65/96/1128696596.db2.gz BCGDLWRVSHHCMI-KAECEXQPSA-N 1 2 259.349 3.566 20 30 CHEDLO Cc1cc2ccccc2[nH+]c1NCC1CCC(C#N)CC1 ZINC000578839961 1128731270 /nfs/dbraw/zinc/73/12/70/1128731270.db2.gz RBBFLHGPKOOVRW-UHFFFAOYSA-N 1 2 279.387 3.707 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCCOCC1CC1 ZINC000255024725 1117993023 /nfs/dbraw/zinc/99/30/23/1117993023.db2.gz ZMAKLRCWFKSADB-UNOMPAQXSA-N 1 2 283.371 3.781 20 30 CHEDLO C=CCN(Cc1ccccc1)c1nc(C)[nH+]c(C)c1C ZINC001167126972 1118042310 /nfs/dbraw/zinc/04/23/10/1118042310.db2.gz ZVWVPCQBOWHFFJ-UHFFFAOYSA-N 1 2 267.376 3.594 20 30 CHEDLO C=CCCCCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209438445 1118058521 /nfs/dbraw/zinc/05/85/21/1118058521.db2.gz LIKGDAIGAROXQQ-AWEZNQCLSA-N 1 2 275.383 3.605 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209438445 1118058526 /nfs/dbraw/zinc/05/85/26/1118058526.db2.gz LIKGDAIGAROXQQ-AWEZNQCLSA-N 1 2 275.383 3.605 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)s1 ZINC000901444306 1128765187 /nfs/dbraw/zinc/76/51/87/1128765187.db2.gz WRJCBVOEQYPMDD-SOFGYWHQSA-N 1 2 260.362 3.547 20 30 CHEDLO Cc1cc(C#N)cc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001210389034 1118270066 /nfs/dbraw/zinc/27/00/66/1118270066.db2.gz WMSQJOKBILMOCE-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO Cc1cc(C#N)cc(Nc2[nH+]cccc2N2CCCCC2)c1 ZINC001210389212 1118270697 /nfs/dbraw/zinc/27/06/97/1118270697.db2.gz ZCEVGPQAAUIBSM-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccnc(Cl)c3)n21 ZINC000782194381 1118486783 /nfs/dbraw/zinc/48/67/83/1118486783.db2.gz NTYJOILJYQSYFZ-AATRIKPKSA-N 1 2 297.745 3.587 20 30 CHEDLO C=CCC(C)(C)c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000340807690 1118508887 /nfs/dbraw/zinc/50/88/87/1118508887.db2.gz XFCJODIHUDVZMJ-UHFFFAOYSA-N 1 2 294.358 3.776 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000580932382 1118524500 /nfs/dbraw/zinc/52/45/00/1118524500.db2.gz OTZFQXXBZQYKKU-ZDUSSCGKSA-N 1 2 297.333 3.619 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC[C@H]1CCCCO1 ZINC000588409869 1118582361 /nfs/dbraw/zinc/58/23/61/1118582361.db2.gz FORRVOUWMQKNMN-JPVKTXQWSA-N 1 2 283.371 3.924 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000926205560 1118731612 /nfs/dbraw/zinc/73/16/12/1118731612.db2.gz GBKQTJRYTNSNSP-BDJLRTHQSA-N 1 2 291.345 3.666 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000255391270 1118750543 /nfs/dbraw/zinc/75/05/43/1118750543.db2.gz KIRSKLSEIUULKJ-HJWRWDBZSA-N 1 2 262.312 3.539 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1csc(C#N)c1 ZINC000891747730 1118756352 /nfs/dbraw/zinc/75/63/52/1118756352.db2.gz LLWRXYHQGRCQEM-GFCCVEGCSA-N 1 2 284.384 3.575 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891747730 1118756354 /nfs/dbraw/zinc/75/63/54/1118756354.db2.gz LLWRXYHQGRCQEM-GFCCVEGCSA-N 1 2 284.384 3.575 20 30 CHEDLO N#Cc1nccnc1Nc1ccc([NH2+]CC2CCCC2)cc1 ZINC000068901519 1128801892 /nfs/dbraw/zinc/80/18/92/1128801892.db2.gz SFQFVKVZJZUDNL-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000255424235 1118908513 /nfs/dbraw/zinc/90/85/13/1118908513.db2.gz SFJMXLSMSYHVHD-XLZBRSFNSA-N 1 2 295.382 3.979 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(F)cc3)c[nH+]c12 ZINC000255437116 1118927099 /nfs/dbraw/zinc/92/70/99/1118927099.db2.gz LIFOOPUPLSWUCG-HJWRWDBZSA-N 1 2 280.302 3.678 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000348716297 1118934386 /nfs/dbraw/zinc/93/43/86/1118934386.db2.gz RINAYBZUJJKQJM-UHFFFAOYSA-N 1 2 292.741 3.914 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000187706835 1118939756 /nfs/dbraw/zinc/93/97/56/1118939756.db2.gz AOMUZRFRJLITNR-GUYCJALGSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000187706835 1118939757 /nfs/dbraw/zinc/93/97/57/1118939757.db2.gz AOMUZRFRJLITNR-GUYCJALGSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000127506299 1119064255 /nfs/dbraw/zinc/06/42/55/1119064255.db2.gz XGQYOWJSCZYPRN-NWDGAFQWSA-N 1 2 298.390 3.651 20 30 CHEDLO CC(C)(C)Oc1cc[nH+]cc1NCc1cc(C#N)cs1 ZINC000158457943 1119108116 /nfs/dbraw/zinc/10/81/16/1119108116.db2.gz KAXAGQMHTNOAPH-UHFFFAOYSA-N 1 2 287.388 3.804 20 30 CHEDLO Cc1cc(NCc2ccccc2C#N)ccc1[NH+](C)C ZINC001167633072 1119246710 /nfs/dbraw/zinc/24/67/10/1119246710.db2.gz GBFDPSADOOQBAX-UHFFFAOYSA-N 1 2 265.360 3.545 20 30 CHEDLO Cc1[nH+]c(C(C)(C)C)nc(NCc2ccccc2C#N)c1C ZINC001167635465 1119251569 /nfs/dbraw/zinc/25/15/69/1119251569.db2.gz PJZKIGIRVIYFAM-UHFFFAOYSA-N 1 2 294.402 3.875 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000069221462 1128836997 /nfs/dbraw/zinc/83/69/97/1128836997.db2.gz WTQRSNWVYJPJSO-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000069221462 1128837002 /nfs/dbraw/zinc/83/70/02/1128837002.db2.gz WTQRSNWVYJPJSO-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO N#Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cs1 ZINC001213087809 1119343622 /nfs/dbraw/zinc/34/36/22/1119343622.db2.gz BBMLQLXFPYQNFO-UHFFFAOYSA-N 1 2 266.329 3.753 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(C)cn1)Cc1ccccc1F ZINC000156291987 1119356193 /nfs/dbraw/zinc/35/61/93/1119356193.db2.gz JSWKAEHPFUGNBI-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@H+](Cc1ccc(C)cn1)Cc1ccccc1F ZINC000156291987 1119356196 /nfs/dbraw/zinc/35/61/96/1119356196.db2.gz JSWKAEHPFUGNBI-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CCCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000156940801 1119375402 /nfs/dbraw/zinc/37/54/02/1119375402.db2.gz NPUTVPFQIZJHJS-ZDUSSCGKSA-N 1 2 296.484 3.759 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@H]3CC[C@H](C)CC3)ccc2[nH+]1 ZINC000329453410 1119416274 /nfs/dbraw/zinc/41/62/74/1119416274.db2.gz PHDGVLTYZPXSHT-AULYBMBSSA-N 1 2 286.379 3.547 20 30 CHEDLO Cc1cccc2c1C/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901472600 1128850754 /nfs/dbraw/zinc/85/07/54/1128850754.db2.gz NOAZTGMNBVLBQP-NTUHNPAUSA-N 1 2 266.344 3.595 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)o1 ZINC000255601646 1119599355 /nfs/dbraw/zinc/59/93/55/1119599355.db2.gz CQZGBPPJUOBUNO-VURMDHGXSA-N 1 2 280.327 3.694 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000255773969 1119744782 /nfs/dbraw/zinc/74/47/82/1119744782.db2.gz PRZGAQDRXPCEET-HJWRWDBZSA-N 1 2 262.312 3.539 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(-c2ccccc2)no1 ZINC000926628057 1119746202 /nfs/dbraw/zinc/74/62/02/1119746202.db2.gz SDXOMDDMMYMOOV-CYBMUJFWSA-N 1 2 281.359 3.686 20 30 CHEDLO CC(C)CCn1cccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406523 1119782952 /nfs/dbraw/zinc/78/29/52/1119782952.db2.gz ORLMDYGAZSPQHE-KRWDZBQOSA-N 1 2 273.424 3.660 20 30 CHEDLO CC(C)CCn1cccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406523 1119782956 /nfs/dbraw/zinc/78/29/56/1119782956.db2.gz ORLMDYGAZSPQHE-KRWDZBQOSA-N 1 2 273.424 3.660 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000612406085 1119783489 /nfs/dbraw/zinc/78/34/89/1119783489.db2.gz IBNLBOMZKHKGOW-WPTTZPOMSA-N 1 2 274.795 3.979 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000612406085 1119783494 /nfs/dbraw/zinc/78/34/94/1119783494.db2.gz IBNLBOMZKHKGOW-WPTTZPOMSA-N 1 2 274.795 3.979 20 30 CHEDLO CC1(C)CCc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000612407079 1119784312 /nfs/dbraw/zinc/78/43/12/1119784312.db2.gz YONADNHCEDYQJD-IBGZPJMESA-N 1 2 298.430 3.916 20 30 CHEDLO CC1(C)CCc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000612407079 1119784315 /nfs/dbraw/zinc/78/43/15/1119784315.db2.gz YONADNHCEDYQJD-IBGZPJMESA-N 1 2 298.430 3.916 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@@](C)(C#N)C1 ZINC000613183101 1119880843 /nfs/dbraw/zinc/88/08/43/1119880843.db2.gz QYSFNUMKQTULKW-SFHVURJKSA-N 1 2 279.387 3.982 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000617848942 1128877742 /nfs/dbraw/zinc/87/77/42/1128877742.db2.gz CUMLKXJQWWFWHZ-UHFFFAOYSA-N 1 2 275.154 3.772 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2cccc(C)c2[C@@H]1C ZINC000901489037 1128879240 /nfs/dbraw/zinc/87/92/40/1128879240.db2.gz LXEQIGIVMTZTAH-PWDRSIHYSA-N 1 2 266.344 3.595 20 30 CHEDLO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(Cl)c1O ZINC000903035568 1120063750 /nfs/dbraw/zinc/06/37/50/1120063750.db2.gz RHSPNGUDAXEBCP-ZDUSSCGKSA-N 1 2 278.783 3.780 20 30 CHEDLO CC(C)c1nc(C(=O)/C=C/c2cccc3[nH+]ccn32)cs1 ZINC000779358114 1128889998 /nfs/dbraw/zinc/88/99/98/1128889998.db2.gz MUQYHJRPILPRJC-VOTSOKGWSA-N 1 2 297.383 3.810 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000175993940 1120191606 /nfs/dbraw/zinc/19/16/06/1120191606.db2.gz YRDCZHGMZMGICM-NSHDSACASA-N 1 2 268.813 3.666 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000175993940 1120191610 /nfs/dbraw/zinc/19/16/10/1120191610.db2.gz YRDCZHGMZMGICM-NSHDSACASA-N 1 2 268.813 3.666 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)cc2F)nc(C(C)C)[nH+]1 ZINC000109542393 1120202647 /nfs/dbraw/zinc/20/26/47/1120202647.db2.gz DDHWVHNALNVIKN-UHFFFAOYSA-N 1 2 284.338 3.531 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(F)c1F ZINC000182721997 1120327053 /nfs/dbraw/zinc/32/70/53/1120327053.db2.gz SWNJUYHYQZIKRQ-BQYQJAHWSA-N 1 2 284.265 3.509 20 30 CHEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000661380672 1120759190 /nfs/dbraw/zinc/75/91/90/1120759190.db2.gz IINZYSAECYHWAL-SNVBAGLBSA-N 1 2 290.354 3.950 20 30 CHEDLO C=CC[C@@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000661380672 1120759195 /nfs/dbraw/zinc/75/91/95/1120759195.db2.gz IINZYSAECYHWAL-SNVBAGLBSA-N 1 2 290.354 3.950 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)n1 ZINC000075673936 1120800583 /nfs/dbraw/zinc/80/05/83/1120800583.db2.gz ZAGOUFULCLICQQ-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)n1 ZINC000075673936 1120800584 /nfs/dbraw/zinc/80/05/84/1120800584.db2.gz ZAGOUFULCLICQQ-UHFFFAOYSA-N 1 2 288.753 3.510 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000054180629 1120848678 /nfs/dbraw/zinc/84/86/78/1120848678.db2.gz XTMXBZSSNPCFCN-LLVKDONJSA-N 1 2 297.383 3.806 20 30 CHEDLO C=C(C)Nc1cc[nH+]c2cc(Br)ccc12 ZINC001174788041 1121032399 /nfs/dbraw/zinc/03/23/99/1121032399.db2.gz QFLGZHNLDDFSHY-UHFFFAOYSA-N 1 2 263.138 3.943 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000625702029 1121060172 /nfs/dbraw/zinc/06/01/72/1121060172.db2.gz MOXFIHMBLOUUHU-SECBINFHSA-N 1 2 276.327 3.560 20 30 CHEDLO C=CC[C@@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000625702029 1121060181 /nfs/dbraw/zinc/06/01/81/1121060181.db2.gz MOXFIHMBLOUUHU-SECBINFHSA-N 1 2 276.327 3.560 20 30 CHEDLO CN(C)c1ccc(Nc2cccc(C(C)(C)C#N)c2)c[nH+]1 ZINC001175343717 1121273897 /nfs/dbraw/zinc/27/38/97/1121273897.db2.gz MLHZURDVEYXSRI-UHFFFAOYSA-N 1 2 280.375 3.692 20 30 CHEDLO CN(C)c1ccc(Nc2c(F)cc(C#N)cc2Cl)c[nH+]1 ZINC001175345520 1121274004 /nfs/dbraw/zinc/27/40/04/1121274004.db2.gz DJLFFYYOQXGGIY-UHFFFAOYSA-N 1 2 290.729 3.555 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246691550 1121317109 /nfs/dbraw/zinc/31/71/09/1121317109.db2.gz ZPFUWBGHHUZSMD-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246691550 1121317116 /nfs/dbraw/zinc/31/71/16/1121317116.db2.gz ZPFUWBGHHUZSMD-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C=CCOCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000549806805 1121453096 /nfs/dbraw/zinc/45/30/96/1121453096.db2.gz SXEPBQOKQLNQIZ-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894002839 1121454045 /nfs/dbraw/zinc/45/40/45/1121454045.db2.gz WXELKOFKJKCTEG-VIFPVBQESA-N 1 2 279.796 3.684 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894002839 1121454048 /nfs/dbraw/zinc/45/40/48/1121454048.db2.gz WXELKOFKJKCTEG-VIFPVBQESA-N 1 2 279.796 3.684 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432915005 1121476824 /nfs/dbraw/zinc/47/68/24/1121476824.db2.gz CJCNZENTYIUENM-VIFPVBQESA-N 1 2 275.154 3.914 20 30 CHEDLO COc1cc[nH+]cc1Nc1c(C#N)ccc2ccccc21 ZINC001176121425 1121558058 /nfs/dbraw/zinc/55/80/58/1121558058.db2.gz ICYRQPUVSUCMAY-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO Cc1cc(F)c(C#N)c(NCc2c[nH+]c(C)cc2C)c1 ZINC000894117867 1121565859 /nfs/dbraw/zinc/56/58/59/1121565859.db2.gz KAULFTMVKGFQAB-UHFFFAOYSA-N 1 2 269.323 3.630 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000611091548 1121627411 /nfs/dbraw/zinc/62/74/11/1121627411.db2.gz WACUMFTUENPALH-LLVKDONJSA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000611091548 1121627415 /nfs/dbraw/zinc/62/74/15/1121627415.db2.gz WACUMFTUENPALH-LLVKDONJSA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 ZINC000611388591 1121642033 /nfs/dbraw/zinc/64/20/33/1121642033.db2.gz KQCCRZOFEANLIO-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO Cc1ccc(N[NH+]=Cc2ccccc2N2CCCCC2)nc1 ZINC000727263351 1121711305 /nfs/dbraw/zinc/71/13/05/1121711305.db2.gz ZEKROFCAFCDKPF-UHFFFAOYSA-N 1 2 294.402 3.826 20 30 CHEDLO CC[C@H](Cc1ccccc1)/[NH+]=C\c1ccccc1O ZINC000727781527 1121739884 /nfs/dbraw/zinc/73/98/84/1121739884.db2.gz PDSSSDKHPPGGIV-OKSBFYSISA-N 1 2 253.345 3.832 20 30 CHEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000619717275 1129008181 /nfs/dbraw/zinc/00/81/81/1129008181.db2.gz SJPIFOGMCFSZDA-GOSISDBHSA-N 1 2 295.382 3.513 20 30 CHEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000619717275 1129008183 /nfs/dbraw/zinc/00/81/83/1129008183.db2.gz SJPIFOGMCFSZDA-GOSISDBHSA-N 1 2 295.382 3.513 20 30 CHEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1cccs1 ZINC000730148583 1121794842 /nfs/dbraw/zinc/79/48/42/1121794842.db2.gz XWNSLBQSHOKEED-UHFFFAOYSA-N 1 2 281.384 3.944 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cscn1 ZINC000619755363 1129010618 /nfs/dbraw/zinc/01/06/18/1129010618.db2.gz FVDWJNKYQLPXEE-SECBINFHSA-N 1 2 277.780 3.519 20 30 CHEDLO Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731159835 1121852985 /nfs/dbraw/zinc/85/29/85/1121852985.db2.gz XPJAVNBYXMFQPJ-FPLPWBNLSA-N 1 2 295.367 3.738 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cc1C ZINC000731316801 1121861942 /nfs/dbraw/zinc/86/19/42/1121861942.db2.gz KBKKAPQTHCLJGK-UHFFFAOYSA-N 1 2 293.345 3.940 20 30 CHEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(F)cn2)cc1 ZINC000731318951 1121864674 /nfs/dbraw/zinc/86/46/74/1121864674.db2.gz PRPGXTZCZOBZFF-UHFFFAOYSA-N 1 2 286.354 3.513 20 30 CHEDLO C=C1CC[NH+](Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC001180007439 1121937422 /nfs/dbraw/zinc/93/74/22/1121937422.db2.gz XGSLAROPNIHFGJ-UHFFFAOYSA-N 1 2 285.309 3.866 20 30 CHEDLO C#C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc(Cl)cc1 ZINC001182159743 1122116497 /nfs/dbraw/zinc/11/64/97/1122116497.db2.gz BKBQSKCPDRMQAU-JKSUJKDBSA-N 1 2 282.774 3.686 20 30 CHEDLO Fc1ccccc1N[NH+]=C1CCCNc2ccccc21 ZINC000774373239 1122157843 /nfs/dbraw/zinc/15/78/43/1122157843.db2.gz WTDWATMQQGYUJR-UHFFFAOYSA-N 1 2 269.323 3.848 20 30 CHEDLO C=C(Br)C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000711819202 1122352005 /nfs/dbraw/zinc/35/20/05/1122352005.db2.gz UECWDUFRGPFHNY-SECBINFHSA-N 1 2 272.211 3.576 20 30 CHEDLO C=C(Br)C[N@H+]1CCc2ccsc2[C@H]1C ZINC000711819202 1122352008 /nfs/dbraw/zinc/35/20/08/1122352008.db2.gz UECWDUFRGPFHNY-SECBINFHSA-N 1 2 272.211 3.576 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000775397684 1122543320 /nfs/dbraw/zinc/54/33/20/1122543320.db2.gz AEBANCWRUBRONE-MRXNPFEDSA-N 1 2 298.317 3.588 20 30 CHEDLO CCCc1csc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000426038588 1122706065 /nfs/dbraw/zinc/70/60/65/1122706065.db2.gz YXPCHQVLWJHONX-UHFFFAOYSA-N 1 2 285.416 3.599 20 30 CHEDLO CCCc1csc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000426038588 1122706071 /nfs/dbraw/zinc/70/60/71/1122706071.db2.gz YXPCHQVLWJHONX-UHFFFAOYSA-N 1 2 285.416 3.599 20 30 CHEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439433306 1122779117 /nfs/dbraw/zinc/77/91/17/1122779117.db2.gz AVRSVLLLMYRVSQ-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439433306 1122779121 /nfs/dbraw/zinc/77/91/21/1122779121.db2.gz AVRSVLLLMYRVSQ-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439433307 1122779128 /nfs/dbraw/zinc/77/91/28/1122779128.db2.gz AVRSVLLLMYRVSQ-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439433307 1122779130 /nfs/dbraw/zinc/77/91/30/1122779130.db2.gz AVRSVLLLMYRVSQ-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1C#N ZINC001194562710 1122784010 /nfs/dbraw/zinc/78/40/10/1122784010.db2.gz NEBLGYGNNUWACL-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1C#N ZINC001194562710 1122784012 /nfs/dbraw/zinc/78/40/12/1122784012.db2.gz NEBLGYGNNUWACL-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@H](CC)CO1 ZINC001195863306 1122895462 /nfs/dbraw/zinc/89/54/62/1122895462.db2.gz RFXRQOCVIQTJRM-IAGOWNOFSA-N 1 2 291.822 3.581 20 30 CHEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](CC)CO1 ZINC001195863306 1122895469 /nfs/dbraw/zinc/89/54/69/1122895469.db2.gz RFXRQOCVIQTJRM-IAGOWNOFSA-N 1 2 291.822 3.581 20 30 CHEDLO C=CCOCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC001195920361 1122897856 /nfs/dbraw/zinc/89/78/56/1122897856.db2.gz YPIQNNWACOFFHC-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO C=CCOCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC001195920361 1122897866 /nfs/dbraw/zinc/89/78/66/1122897866.db2.gz YPIQNNWACOFFHC-UHFFFAOYSA-N 1 2 286.202 3.554 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cc(OCC)cc1F ZINC001143576070 1122898272 /nfs/dbraw/zinc/89/82/72/1122898272.db2.gz VZHPHFDEOYUXAV-UHFFFAOYSA-N 1 2 269.335 3.762 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(F)cc(OCC)cc1F ZINC001143576070 1122898283 /nfs/dbraw/zinc/89/82/83/1122898283.db2.gz VZHPHFDEOYUXAV-UHFFFAOYSA-N 1 2 269.335 3.762 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@H]1c1ccncc1 ZINC000334483623 1123054154 /nfs/dbraw/zinc/05/41/54/1123054154.db2.gz YNFSRZYXZUXAFR-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@H]1c1ccncc1 ZINC000334483623 1123054160 /nfs/dbraw/zinc/05/41/60/1123054160.db2.gz YNFSRZYXZUXAFR-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO Cc1cc(C)c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c(C)[nH+]1 ZINC000328922008 1123114383 /nfs/dbraw/zinc/11/43/83/1123114383.db2.gz UEZAISKCRVCAPY-TVQRCGJNSA-N 1 2 274.364 3.600 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[N@H+](CC)C[C@@H](C)C#N ZINC000155214402 1129099970 /nfs/dbraw/zinc/09/99/70/1129099970.db2.gz JGYMUVOGXBVWRZ-XHDPSFHLSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+](CC)C[C@@H](C)C#N ZINC000155214402 1129099972 /nfs/dbraw/zinc/09/99/72/1129099972.db2.gz JGYMUVOGXBVWRZ-XHDPSFHLSA-N 1 2 266.335 3.897 20 30 CHEDLO CCOc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178943056 1123135394 /nfs/dbraw/zinc/13/53/94/1123135394.db2.gz RHLFEXJPFFHGMR-DHZHZOJOSA-N 1 2 292.338 3.629 20 30 CHEDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(C#N)c1 ZINC000776218422 1123157127 /nfs/dbraw/zinc/15/71/27/1123157127.db2.gz IMYSHPAINXCGLS-NSHDSACASA-N 1 2 286.762 3.768 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000183813947 1129106154 /nfs/dbraw/zinc/10/61/54/1129106154.db2.gz OWTPSGNDVAPFHG-NSHDSACASA-N 1 2 274.751 3.849 20 30 CHEDLO C=CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000850502056 1123275342 /nfs/dbraw/zinc/27/53/42/1123275342.db2.gz JEIAZBLTVLKKNK-QMMMGPOBSA-N 1 2 288.160 3.521 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(F)cc(F)c1O ZINC000850552197 1123289895 /nfs/dbraw/zinc/28/98/95/1123289895.db2.gz YFALHEGFYGJJIH-LLVKDONJSA-N 1 2 294.345 3.795 20 30 CHEDLO CCc1nc(C)c(C[N@@H+](CCC#N)CC(CC)CC)o1 ZINC000428243472 1123300178 /nfs/dbraw/zinc/30/01/78/1123300178.db2.gz IJGJALKLSCLYJP-UHFFFAOYSA-N 1 2 277.412 3.697 20 30 CHEDLO CCc1nc(C)c(C[N@H+](CCC#N)CC(CC)CC)o1 ZINC000428243472 1123300179 /nfs/dbraw/zinc/30/01/79/1123300179.db2.gz IJGJALKLSCLYJP-UHFFFAOYSA-N 1 2 277.412 3.697 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428246379 1123307787 /nfs/dbraw/zinc/30/77/87/1123307787.db2.gz LLQKRYJHZCNKLI-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428246379 1123307788 /nfs/dbraw/zinc/30/77/88/1123307788.db2.gz LLQKRYJHZCNKLI-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1 ZINC000442805805 1123338798 /nfs/dbraw/zinc/33/87/98/1123338798.db2.gz ZITGGUYIOOAPHA-UHFFFAOYSA-N 1 2 295.308 3.617 20 30 CHEDLO C=CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1 ZINC000442805805 1123338803 /nfs/dbraw/zinc/33/88/03/1123338803.db2.gz ZITGGUYIOOAPHA-UHFFFAOYSA-N 1 2 295.308 3.617 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](CC)C[C@@H](C)C#N ZINC000338944319 1123403099 /nfs/dbraw/zinc/40/30/99/1123403099.db2.gz DXVMFXNOROULKD-AWEZNQCLSA-N 1 2 273.424 3.749 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000338944319 1123403101 /nfs/dbraw/zinc/40/31/01/1123403101.db2.gz DXVMFXNOROULKD-AWEZNQCLSA-N 1 2 273.424 3.749 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686594 1123411924 /nfs/dbraw/zinc/41/19/24/1123411924.db2.gz JEANZHURMPEGIE-HUUCEWRRSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686594 1123411929 /nfs/dbraw/zinc/41/19/29/1123411929.db2.gz JEANZHURMPEGIE-HUUCEWRRSA-N 1 2 260.768 3.563 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCC1(C(F)(F)F)CC1 ZINC000853618039 1123445052 /nfs/dbraw/zinc/44/50/52/1123445052.db2.gz XFCFILQHZHIBKT-UHFFFAOYSA-N 1 2 298.308 3.628 20 30 CHEDLO C/C(Cl)=C/C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000528392964 1123531018 /nfs/dbraw/zinc/53/10/18/1123531018.db2.gz HMVYOHLKUBCJTO-KTDOTMJKSA-N 1 2 274.795 3.901 20 30 CHEDLO C/C(Cl)=C/C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000528392964 1123531022 /nfs/dbraw/zinc/53/10/22/1123531022.db2.gz HMVYOHLKUBCJTO-KTDOTMJKSA-N 1 2 274.795 3.901 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C#N)C1CCCCC1 ZINC000115606055 1123619910 /nfs/dbraw/zinc/61/99/10/1123619910.db2.gz DIIOWNAECUCHNW-KRWDZBQOSA-N 1 2 271.408 3.945 20 30 CHEDLO CCCCCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991029 1123627824 /nfs/dbraw/zinc/62/78/24/1123627824.db2.gz YWFHWMOSOVGPFO-CQSZACIVSA-N 1 2 277.412 3.585 20 30 CHEDLO CCCCCCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984955 1123627926 /nfs/dbraw/zinc/62/79/26/1123627926.db2.gz FZWDZWLGHVCMJQ-OAHLLOKOSA-N 1 2 291.439 3.975 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc(F)c(Br)cc1Cl ZINC001141927876 1123642436 /nfs/dbraw/zinc/64/24/36/1123642436.db2.gz OPICHXAHYYSADQ-UHFFFAOYSA-N 1 2 292.579 3.859 20 30 CHEDLO C=CC[N@H+](C)Cc1cc(F)c(Br)cc1Cl ZINC001141927876 1123642437 /nfs/dbraw/zinc/64/24/37/1123642437.db2.gz OPICHXAHYYSADQ-UHFFFAOYSA-N 1 2 292.579 3.859 20 30 CHEDLO CC[N@H+](CCC#N)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000081040325 1129148629 /nfs/dbraw/zinc/14/86/29/1129148629.db2.gz XMOHDHVHBULBOU-SNVBAGLBSA-N 1 2 254.736 3.776 20 30 CHEDLO CC[N@@H+](CCC#N)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000081040325 1129148630 /nfs/dbraw/zinc/14/86/30/1129148630.db2.gz XMOHDHVHBULBOU-SNVBAGLBSA-N 1 2 254.736 3.776 20 30 CHEDLO CC[C@@](C)([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000173496984 1123841165 /nfs/dbraw/zinc/84/11/65/1123841165.db2.gz YMHJOJDNYDLLFB-OAHLLOKOSA-N 1 2 289.379 3.569 20 30 CHEDLO C#CC[N@@H+](Cc1oc(CCC)nc1C)Cc1ccccc1 ZINC000794551186 1123893145 /nfs/dbraw/zinc/89/31/45/1123893145.db2.gz DKADLIZNCSLHKH-UHFFFAOYSA-N 1 2 282.387 3.571 20 30 CHEDLO C#CC[N@H+](Cc1oc(CCC)nc1C)Cc1ccccc1 ZINC000794551186 1123893150 /nfs/dbraw/zinc/89/31/50/1123893150.db2.gz DKADLIZNCSLHKH-UHFFFAOYSA-N 1 2 282.387 3.571 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)cc2)ccc1[NH+](C)C ZINC000120174048 1123940189 /nfs/dbraw/zinc/94/01/89/1123940189.db2.gz RNMDLARFDXVYPH-UHFFFAOYSA-N 1 2 265.360 3.545 20 30 CHEDLO Cc1ccccc1CC(N)=[NH+]O[C@@H](C)c1ccc(C#N)cc1 ZINC000794719195 1123943458 /nfs/dbraw/zinc/94/34/58/1123943458.db2.gz CEZUOYNLYOXWPH-AWEZNQCLSA-N 1 2 293.370 3.669 20 30 CHEDLO C[C@H](Cc1cccs1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866222428 1124038460 /nfs/dbraw/zinc/03/84/60/1124038460.db2.gz DAVLRERRWLVJRF-VXGBXAGGSA-N 1 2 286.400 3.607 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc(C#N)c1O ZINC000866249118 1124041618 /nfs/dbraw/zinc/04/16/18/1124041618.db2.gz HWVGRAAJPFXRDF-DIFFPNOSSA-N 1 2 296.345 3.741 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1cccc(C#N)c1 ZINC000866276734 1124046221 /nfs/dbraw/zinc/04/62/21/1124046221.db2.gz URQPFNNMGUUQCO-BJOOFOGMSA-N 1 2 296.345 3.681 20 30 CHEDLO Cc1ccsc1CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866312482 1124051238 /nfs/dbraw/zinc/05/12/38/1124051238.db2.gz USVGUPPSCDFXTH-LBPRGKRZSA-N 1 2 286.400 3.527 20 30 CHEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2O)ccc1[NH+](C)C ZINC000866327540 1124053069 /nfs/dbraw/zinc/05/30/69/1124053069.db2.gz FOWBKSYUGRBNHL-ZDUSSCGKSA-N 1 2 295.386 3.811 20 30 CHEDLO CSCCCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866335669 1124053744 /nfs/dbraw/zinc/05/37/44/1124053744.db2.gz KXNOYYSAISIODP-ZDUSSCGKSA-N 1 2 292.448 3.838 20 30 CHEDLO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866339491 1124054979 /nfs/dbraw/zinc/05/49/79/1124054979.db2.gz KSJQXUUIDWWYDO-KOLCDFICSA-N 1 2 286.297 3.645 20 30 CHEDLO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866354230 1124056245 /nfs/dbraw/zinc/05/62/45/1124056245.db2.gz ZGAIPDCXHQBNNR-NEPJUHHUSA-N 1 2 294.345 3.740 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1F ZINC000444717713 1124057948 /nfs/dbraw/zinc/05/79/48/1124057948.db2.gz SWDWPAIPLCRXFX-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1F ZINC000444717713 1124057955 /nfs/dbraw/zinc/05/79/55/1124057955.db2.gz SWDWPAIPLCRXFX-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)CC(F)(F)F ZINC000866374320 1124059206 /nfs/dbraw/zinc/05/92/06/1124059206.db2.gz CAVDBSNWBGPMEB-UWVGGRQHSA-N 1 2 286.297 3.503 20 30 CHEDLO C=CC[N@H+](Cc1c(F)cccc1Cl)[C@H](C)COC ZINC000621317778 1129166496 /nfs/dbraw/zinc/16/64/96/1129166496.db2.gz ZEUJINYBWPWHLG-LLVKDONJSA-N 1 2 271.763 3.502 20 30 CHEDLO C=CC[N@@H+](Cc1c(F)cccc1Cl)[C@H](C)COC ZINC000621317778 1129166500 /nfs/dbraw/zinc/16/65/00/1129166500.db2.gz ZEUJINYBWPWHLG-LLVKDONJSA-N 1 2 271.763 3.502 20 30 CHEDLO COc1cc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001238792285 1131248774 /nfs/dbraw/zinc/24/87/74/1131248774.db2.gz HICGLWZHRFTMQB-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001238792285 1131248777 /nfs/dbraw/zinc/24/87/77/1131248777.db2.gz HICGLWZHRFTMQB-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(C3CC3)nc2)cc1C#N ZINC001238856206 1131258551 /nfs/dbraw/zinc/25/85/51/1131258551.db2.gz UKNZMXWOQHHMNZ-CIAFOILYSA-N 1 2 290.370 3.719 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(F)CC1 ZINC000526969372 1124535035 /nfs/dbraw/zinc/53/50/35/1124535035.db2.gz KRRVHKMZADCVEB-UHFFFAOYSA-N 1 2 259.777 3.892 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)CC1(F)CC1 ZINC000526969372 1124535032 /nfs/dbraw/zinc/53/50/32/1124535032.db2.gz KRRVHKMZADCVEB-UHFFFAOYSA-N 1 2 259.777 3.892 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(O)ccc1F ZINC000872087455 1124680574 /nfs/dbraw/zinc/68/05/74/1124680574.db2.gz DZRPKSGPCGFQTR-LBPRGKRZSA-N 1 2 276.355 3.656 20 30 CHEDLO CC(C)n1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001239069160 1131300163 /nfs/dbraw/zinc/30/01/63/1131300163.db2.gz AEWKYKSJFOCBPS-XDHOZWIPSA-N 1 2 280.375 3.829 20 30 CHEDLO CCCCCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874142018 1124819509 /nfs/dbraw/zinc/81/95/09/1124819509.db2.gz UXZKQXVHDIEPEA-HUUCEWRRSA-N 1 2 291.439 3.722 20 30 CHEDLO CCCCCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874142018 1124819513 /nfs/dbraw/zinc/81/95/13/1124819513.db2.gz UXZKQXVHDIEPEA-HUUCEWRRSA-N 1 2 291.439 3.722 20 30 CHEDLO Cc1cccc2c1C/C(=C\c1c[nH+]c3c(C)cccn13)C2=O ZINC000125369327 1124885906 /nfs/dbraw/zinc/88/59/06/1124885906.db2.gz ZWYHLSJAHMMTDU-NTEUORMPSA-N 1 2 288.350 3.774 20 30 CHEDLO SCCCNc1[nH+]ccc2cc(Cl)ccc21 ZINC001159870178 1131318231 /nfs/dbraw/zinc/31/82/31/1131318231.db2.gz MBBRWODKQAMCFP-UHFFFAOYSA-N 1 2 252.770 3.620 20 30 CHEDLO CCOc1ccccc1C1=CC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450300524 1124972450 /nfs/dbraw/zinc/97/24/50/1124972450.db2.gz SJSMYFNLOZKPAI-UHFFFAOYSA-N 1 2 296.414 3.868 20 30 CHEDLO CCOc1ccccc1C1=CC[N@@H+](CC2(C#N)CCC2)CC1 ZINC000450300524 1124972457 /nfs/dbraw/zinc/97/24/57/1124972457.db2.gz SJSMYFNLOZKPAI-UHFFFAOYSA-N 1 2 296.414 3.868 20 30 CHEDLO N#CCC[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1ccco1 ZINC000878159728 1125125235 /nfs/dbraw/zinc/12/52/35/1125125235.db2.gz SQEKKFPVDILNIP-ZDUSSCGKSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@H+](CC[C@@H]1CCCC1(F)F)Cc1ccco1 ZINC000878159728 1125125240 /nfs/dbraw/zinc/12/52/40/1125125240.db2.gz SQEKKFPVDILNIP-ZDUSSCGKSA-N 1 2 282.334 3.821 20 30 CHEDLO C=C(C)C[N@H+](Cc1nocc1C)Cc1ccccc1 ZINC000878534313 1125159928 /nfs/dbraw/zinc/15/99/28/1125159928.db2.gz ZQUCTYAWIMZQOH-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nocc1C)Cc1ccccc1 ZINC000878534313 1125159930 /nfs/dbraw/zinc/15/99/30/1125159930.db2.gz ZQUCTYAWIMZQOH-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccccc1OC(C)C ZINC001137139049 1125184608 /nfs/dbraw/zinc/18/46/08/1125184608.db2.gz CPWOUEKRAFVIFA-UHFFFAOYSA-N 1 2 274.408 3.990 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1OC(C)C ZINC001137139049 1125184611 /nfs/dbraw/zinc/18/46/11/1125184611.db2.gz CPWOUEKRAFVIFA-UHFFFAOYSA-N 1 2 274.408 3.990 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)o1 ZINC000878916178 1125186250 /nfs/dbraw/zinc/18/62/50/1125186250.db2.gz HJXLNKTXWZEUSI-MRXNPFEDSA-N 1 2 282.343 3.862 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)o1 ZINC000878916178 1125186253 /nfs/dbraw/zinc/18/62/53/1125186253.db2.gz HJXLNKTXWZEUSI-MRXNPFEDSA-N 1 2 282.343 3.862 20 30 CHEDLO CCCCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000127505172 1125302791 /nfs/dbraw/zinc/30/27/91/1125302791.db2.gz PFZIHURRXDPBNW-STQMWFEESA-N 1 2 298.390 3.696 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cccc2cn(C)nc21 ZINC001168201393 1125393369 /nfs/dbraw/zinc/39/33/69/1125393369.db2.gz YSRXXASDDGLNEO-UHFFFAOYSA-N 1 2 292.386 3.617 20 30 CHEDLO Cc1cc(NCc2ccc(O[C@@H](C)C#N)cc2)c[nH+]c1C ZINC000883342085 1125398422 /nfs/dbraw/zinc/39/84/22/1125398422.db2.gz JZKNLHKDPZESSE-ZDUSSCGKSA-N 1 2 281.359 3.601 20 30 CHEDLO Cc1ccc2c(Nc3ncccc3C#N)cccc2[nH+]1 ZINC001212794922 1125414266 /nfs/dbraw/zinc/41/42/66/1125414266.db2.gz DNOHXEWIVKRQKV-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cc(C#N)ccn1 ZINC001168235666 1125421519 /nfs/dbraw/zinc/42/15/19/1125421519.db2.gz WVKGHCMWGAVGKS-STQMWFEESA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cc(C#N)ccn1 ZINC001168235666 1125421520 /nfs/dbraw/zinc/42/15/20/1125421520.db2.gz WVKGHCMWGAVGKS-STQMWFEESA-N 1 2 295.361 3.600 20 30 CHEDLO C=C(Br)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000133325982 1125446962 /nfs/dbraw/zinc/44/69/62/1125446962.db2.gz HJWWTKWPNBHHFO-SECBINFHSA-N 1 2 297.221 3.856 20 30 CHEDLO CCOc1ccc(C[N@H+](CCC#N)CC(CC)CC)nc1 ZINC000088535236 1129206534 /nfs/dbraw/zinc/20/65/34/1129206534.db2.gz FDSQMRUJHOIAET-UHFFFAOYSA-N 1 2 289.423 3.632 20 30 CHEDLO CCOc1ccc(C[N@@H+](CCC#N)CC(CC)CC)nc1 ZINC000088535236 1129206537 /nfs/dbraw/zinc/20/65/37/1129206537.db2.gz FDSQMRUJHOIAET-UHFFFAOYSA-N 1 2 289.423 3.632 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1sccc1C ZINC000733747341 1129268919 /nfs/dbraw/zinc/26/89/19/1129268919.db2.gz JPEKLMALRRGTGG-UHFFFAOYSA-N 1 2 281.384 3.863 20 30 CHEDLO CCCCCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733872364 1129271736 /nfs/dbraw/zinc/27/17/36/1129271736.db2.gz OIROXZIDJOBJQQ-UHFFFAOYSA-N 1 2 259.353 3.633 20 30 CHEDLO Cc1ccc(F)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000734979424 1129326706 /nfs/dbraw/zinc/32/67/06/1129326706.db2.gz PDUAGPMLENDEIX-UHFFFAOYSA-N 1 2 279.318 3.550 20 30 CHEDLO Fc1cccc(F)c1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000735615802 1129353041 /nfs/dbraw/zinc/35/30/41/1129353041.db2.gz YHMWJXCPVHVUHI-UHFFFAOYSA-N 1 2 298.296 3.597 20 30 CHEDLO C=CCCC[N@H+](C)Cc1cccc(Br)c1O ZINC000093533621 1129425654 /nfs/dbraw/zinc/42/56/54/1129425654.db2.gz BZUIDLFKTYECAM-UHFFFAOYSA-N 1 2 284.197 3.553 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccccc1OC(F)F ZINC000739914395 1129408789 /nfs/dbraw/zinc/40/87/89/1129408789.db2.gz JSPCZARBLHCIGP-UHFFFAOYSA-N 1 2 282.334 3.660 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccc1OC(F)F ZINC000739914395 1129408790 /nfs/dbraw/zinc/40/87/90/1129408790.db2.gz JSPCZARBLHCIGP-UHFFFAOYSA-N 1 2 282.334 3.660 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCc2cc(C)cc(C)c2)c1 ZINC000740763272 1129418891 /nfs/dbraw/zinc/41/88/91/1129418891.db2.gz FBDZJTDVEHXUHQ-XDHOZWIPSA-N 1 2 283.371 3.679 20 30 CHEDLO C=CCCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000093533621 1129425652 /nfs/dbraw/zinc/42/56/52/1129425652.db2.gz BZUIDLFKTYECAM-UHFFFAOYSA-N 1 2 284.197 3.553 20 30 CHEDLO Cc1cccc([C@H](C)C/[NH+]=C/c2cccc(O)c2O)c1 ZINC000741164861 1129430841 /nfs/dbraw/zinc/43/08/41/1129430841.db2.gz BQVVKKVNOQZACA-VBEHJTROSA-N 1 2 269.344 3.629 20 30 CHEDLO Cc1ccsc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000741468082 1129436801 /nfs/dbraw/zinc/43/68/01/1129436801.db2.gz SSYKRWVNTMNVOC-WAYWQWQTSA-N 1 2 282.368 3.909 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CC(C2CC2)C2CC2)c(O)c1 ZINC000743044560 1129512065 /nfs/dbraw/zinc/51/20/65/1129512065.db2.gz LPPORJSHINRQPA-ZDLGFXPLSA-N 1 2 273.376 3.646 20 30 CHEDLO Cc1cccc(C(C)(C)C/[NH+]=C\c2cccc(O)c2O)c1 ZINC000745021951 1129592651 /nfs/dbraw/zinc/59/26/51/1129592651.db2.gz VOTICSCEUVVESP-ODLFYWEKSA-N 1 2 283.371 3.803 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(Br)s1 ZINC001137646676 1131391131 /nfs/dbraw/zinc/39/11/31/1131391131.db2.gz ORQDWVXZIFLJCR-UHFFFAOYSA-N 1 2 287.226 3.636 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(Br)s1 ZINC001137646676 1131391133 /nfs/dbraw/zinc/39/11/33/1131391133.db2.gz ORQDWVXZIFLJCR-UHFFFAOYSA-N 1 2 287.226 3.636 20 30 CHEDLO N#CC12CCC(Nc3[nH+]cccc3-n3cccc3)(CC1)CC2 ZINC001169746750 1129751681 /nfs/dbraw/zinc/75/16/81/1129751681.db2.gz MLDDTSDVHPFACX-UHFFFAOYSA-N 1 2 292.386 3.901 20 30 CHEDLO C[Si](C)(C)c1ccc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001169746481 1129751816 /nfs/dbraw/zinc/75/18/16/1129751816.db2.gz INYILWPGFITWRO-UHFFFAOYSA-N 1 2 299.494 3.655 20 30 CHEDLO CC(C)Oc1cc(NC23CCC(C#N)(CC2)CC3)cc[nH+]1 ZINC001169750791 1129752729 /nfs/dbraw/zinc/75/27/29/1129752729.db2.gz MMHYHAQFJMKTAY-UHFFFAOYSA-N 1 2 285.391 3.897 20 30 CHEDLO Cc1cc(NC2=CC(=O)CC(C)(C)C2)ccc1[NH+](C)C ZINC001169952655 1129767353 /nfs/dbraw/zinc/76/73/53/1129767353.db2.gz CVLPBGJPLMUTTK-UHFFFAOYSA-N 1 2 272.392 3.746 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(C#N)c1 ZINC001137704899 1131404349 /nfs/dbraw/zinc/40/43/49/1131404349.db2.gz YXVCPOKQHYDLRM-SFHVURJKSA-N 1 2 278.355 3.514 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(C#N)c1 ZINC001137704899 1131404351 /nfs/dbraw/zinc/40/43/51/1131404351.db2.gz YXVCPOKQHYDLRM-SFHVURJKSA-N 1 2 278.355 3.514 20 30 CHEDLO COCC1(C/[NH+]=C\c2c(O)ccc3ccccc32)CCC1 ZINC000800721194 1129885874 /nfs/dbraw/zinc/88/58/74/1129885874.db2.gz KPTSTUMHGHNSQJ-ODLFYWEKSA-N 1 2 283.371 3.781 20 30 CHEDLO COc1ccc(C)cc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901443211 1129925469 /nfs/dbraw/zinc/92/54/69/1129925469.db2.gz MMQYCIPVOHGRKL-SREVYHEPSA-N 1 2 284.359 3.677 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2cc(F)ccc2C1=O ZINC000901481603 1129928704 /nfs/dbraw/zinc/92/87/04/1129928704.db2.gz XBWISEZTOWLGEI-MDWZMJQESA-N 1 2 284.334 3.816 20 30 CHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C)CCO2 ZINC000901486268 1129929820 /nfs/dbraw/zinc/92/98/20/1129929820.db2.gz ZFLOMMUXMDCPRA-RIYZIHGNSA-N 1 2 296.370 3.592 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc2c(s1)CCCC2 ZINC000901486289 1129929832 /nfs/dbraw/zinc/92/98/32/1129929832.db2.gz ZUXITUHRCFDHFG-BQYQJAHWSA-N 1 2 286.400 3.739 20 30 CHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c(C)c1 ZINC000901520894 1129933412 /nfs/dbraw/zinc/93/34/12/1129933412.db2.gz ZOVASRSEDVNQDT-VMPITWQZSA-N 1 2 284.359 3.677 20 30 CHEDLO Oc1cccc(/C=[NH+]/CC2(Cc3ccccc3)CC2)c1O ZINC000771835899 1129990534 /nfs/dbraw/zinc/99/05/34/1129990534.db2.gz GQJDQLAIKAQNPU-XDHOZWIPSA-N 1 2 281.355 3.540 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000785996614 1130073007 /nfs/dbraw/zinc/07/30/07/1130073007.db2.gz GBLFQISYEFHNJO-AWEZNQCLSA-N 1 2 293.794 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000785996614 1130073011 /nfs/dbraw/zinc/07/30/11/1130073011.db2.gz GBLFQISYEFHNJO-AWEZNQCLSA-N 1 2 293.794 3.789 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cc(C#N)ccn1 ZINC000902898761 1130079914 /nfs/dbraw/zinc/07/99/14/1130079914.db2.gz UWGJNHJGIKLOOG-CYBMUJFWSA-N 1 2 280.375 3.501 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Br)ccc1F ZINC000903105578 1130113570 /nfs/dbraw/zinc/11/35/70/1130113570.db2.gz FBERPGIZMCRVNZ-VIFPVBQESA-N 1 2 297.171 3.543 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1nc2c(s1)CCCC2 ZINC000903109793 1130114482 /nfs/dbraw/zinc/11/44/82/1130114482.db2.gz VJEHJVKTORILHM-LBPRGKRZSA-N 1 2 289.448 3.756 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cccc(C#N)c1O ZINC000903284278 1130146229 /nfs/dbraw/zinc/14/62/29/1130146229.db2.gz WAOHSTZXUVWMIR-YPMHNXCESA-N 1 2 290.432 3.589 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1occc1Br ZINC000787311087 1130147103 /nfs/dbraw/zinc/14/71/03/1130147103.db2.gz RJQMGPDRYQVHOE-JTQLQIEISA-N 1 2 270.170 3.583 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1occc1Br ZINC000787311087 1130147107 /nfs/dbraw/zinc/14/71/07/1130147107.db2.gz RJQMGPDRYQVHOE-JTQLQIEISA-N 1 2 270.170 3.583 20 30 CHEDLO CCC(O)(CC)CC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000788284035 1130181638 /nfs/dbraw/zinc/18/16/38/1130181638.db2.gz AOLGIQPLUJFUAW-CPNJWEJPSA-N 1 2 285.387 3.906 20 30 CHEDLO C#CCC1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCCCC1 ZINC000788491478 1130189845 /nfs/dbraw/zinc/18/98/45/1130189845.db2.gz KIJKQJMUUFIAEO-UHFFFAOYSA-N 1 2 295.386 3.784 20 30 CHEDLO CC(C)COc1cc(NCc2ccc(C#N)c(F)c2)cc[nH+]1 ZINC001170096108 1130225695 /nfs/dbraw/zinc/22/56/95/1130225695.db2.gz LMRXXNMNCPPSCJ-UHFFFAOYSA-N 1 2 299.349 3.739 20 30 CHEDLO C[Si](C)(C)C#Cc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240217672 1130236231 /nfs/dbraw/zinc/23/62/31/1130236231.db2.gz UHKGFACBXZQHKY-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO CCc1cc(-c2ccc3[nH+]ccn3c2)cc(CC)c1C#N ZINC001240218596 1130236919 /nfs/dbraw/zinc/23/69/19/1130236919.db2.gz FVMHZRBPICJWPO-UHFFFAOYSA-N 1 2 275.355 3.998 20 30 CHEDLO N#Cc1cc2ccc(-c3ccc4[nH+]ccn4c3)cc2cc1C#N ZINC001240219034 1130237171 /nfs/dbraw/zinc/23/71/71/1130237171.db2.gz VYKAVAOQBOALKH-UHFFFAOYSA-N 1 2 294.317 3.898 20 30 CHEDLO N#Cc1ccc(CNc2cc3cc(F)ccc3c[nH+]2)s1 ZINC001170199154 1130462268 /nfs/dbraw/zinc/46/22/68/1130462268.db2.gz JZZHPNMENNCIAL-UHFFFAOYSA-N 1 2 283.331 3.919 20 30 CHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccccc1F ZINC000792630490 1130480822 /nfs/dbraw/zinc/48/08/22/1130480822.db2.gz IMDMGLXWEALIOR-UHFFFAOYSA-N 1 2 283.350 3.629 20 30 CHEDLO CC(C[NH+]1Cc2ccccc2C1)=NOCc1ccccc1 ZINC000792631341 1130481073 /nfs/dbraw/zinc/48/10/73/1130481073.db2.gz RPYZOUOCNBSTCO-UHFFFAOYSA-N 1 2 280.371 3.595 20 30 CHEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365374 1130485553 /nfs/dbraw/zinc/48/55/53/1130485553.db2.gz XPSVDXPPMLPIGS-JLAWEPINSA-N 1 2 295.430 3.918 20 30 CHEDLO Cc1cc(NCC#Cc2ccccc2)[nH+]cc1C(F)(F)F ZINC001170423746 1130510228 /nfs/dbraw/zinc/51/02/28/1130510228.db2.gz FXHICZVDJGVQPK-UHFFFAOYSA-N 1 2 290.288 3.872 20 30 CHEDLO Cc1ccc(F)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240923034 1130518955 /nfs/dbraw/zinc/51/89/55/1130518955.db2.gz RVLJXSZDPPYHEW-RGVLZGJSSA-N 1 2 281.334 3.894 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1F)c1ccc(N)cc1C ZINC000758116665 1130598369 /nfs/dbraw/zinc/59/83/69/1130598369.db2.gz HXRXCSQUNYQOPG-UHFFFAOYSA-N 1 2 275.302 3.692 20 30 CHEDLO Cc1ccc(F)c(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000759665984 1130668564 /nfs/dbraw/zinc/66/85/64/1130668564.db2.gz STOUIMGMBJCWIV-UHFFFAOYSA-N 1 2 298.365 3.575 20 30 CHEDLO CC(=[NH+]Nc1c(C)cccc1C(C)C)c1csc(N)n1 ZINC000812232414 1130674958 /nfs/dbraw/zinc/67/49/58/1130674958.db2.gz GWKFRINZNABFLT-UHFFFAOYSA-N 1 2 288.420 3.993 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(C)ccc1OC)c1ccc(F)cc1 ZINC000812792506 1130712340 /nfs/dbraw/zinc/71/23/40/1130712340.db2.gz BABXRCGQONGZQA-KRWDZBQOSA-N 1 2 283.346 3.607 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235665283 1130764269 /nfs/dbraw/zinc/76/42/69/1130764269.db2.gz VBZCXWMJJQVYST-GFCCVEGCSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235665283 1130764273 /nfs/dbraw/zinc/76/42/73/1130764273.db2.gz VBZCXWMJJQVYST-GFCCVEGCSA-N 1 2 298.336 3.783 20 30 CHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccccc1F ZINC000783697973 1130850362 /nfs/dbraw/zinc/85/03/62/1130850362.db2.gz WDVGAWGKHLTNLN-AATRIKPKSA-N 1 2 298.342 3.969 20 30 CHEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1ccc(Cl)c(N)c1 ZINC000814787136 1130914987 /nfs/dbraw/zinc/91/49/87/1130914987.db2.gz WPGPHMORBSQCRF-UHFFFAOYSA-N 1 2 284.750 3.630 20 30 CHEDLO CCC(=[NH+]Nc1cccc(F)c1)c1cccc(N)c1 ZINC000814815436 1130915954 /nfs/dbraw/zinc/91/59/54/1130915954.db2.gz XUJYFCPGEKUHET-UHFFFAOYSA-N 1 2 257.312 3.634 20 30 CHEDLO CCC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1cccc(N)c1 ZINC000814864187 1130925540 /nfs/dbraw/zinc/92/55/40/1130925540.db2.gz SSRVWSJEHOVGNX-UHFFFAOYSA-N 1 2 293.292 3.912 20 30 CHEDLO CCC(=[NH+]Nc1cc(F)cc(OC)c1)c1cccc(N)c1 ZINC000814870628 1130926885 /nfs/dbraw/zinc/92/68/85/1130926885.db2.gz LTARXSHNRCEUSN-UHFFFAOYSA-N 1 2 287.338 3.643 20 30 CHEDLO CC(C)(S)CNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001159266120 1130950685 /nfs/dbraw/zinc/95/06/85/1130950685.db2.gz BCHNWDNAFGCOMC-UHFFFAOYSA-N 1 2 293.823 3.917 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(C)cc(Cl)nc2Cl)C1 ZINC001236603845 1130981519 /nfs/dbraw/zinc/98/15/19/1130981519.db2.gz DEDJBYPMVUEYCN-LLVKDONJSA-N 1 2 283.202 3.542 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(C)cc(Cl)nc2Cl)C1 ZINC001236603845 1130981522 /nfs/dbraw/zinc/98/15/22/1130981522.db2.gz DEDJBYPMVUEYCN-LLVKDONJSA-N 1 2 283.202 3.542 20 30 CHEDLO Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001236603795 1130982132 /nfs/dbraw/zinc/98/21/32/1130982132.db2.gz BKIKYEYURSWVJR-NSHDSACASA-N 1 2 298.217 3.823 20 30 CHEDLO Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001236603795 1130982131 /nfs/dbraw/zinc/98/21/31/1130982131.db2.gz BKIKYEYURSWVJR-NSHDSACASA-N 1 2 298.217 3.823 20 30 CHEDLO C=C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000798902541 1131056173 /nfs/dbraw/zinc/05/61/73/1131056173.db2.gz DCFQSPKKIWWJLC-HNNXBMFYSA-N 1 2 284.359 3.630 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cccc(OC)c1Cl ZINC001237190802 1131069489 /nfs/dbraw/zinc/06/94/89/1131069489.db2.gz CABHJTQRBSAAGB-UHFFFAOYSA-N 1 2 251.757 3.523 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816504236 1131102537 /nfs/dbraw/zinc/10/25/37/1131102537.db2.gz FDUXRXDFYPXOQD-UHFFFAOYSA-N 1 2 298.789 3.946 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816504236 1131102539 /nfs/dbraw/zinc/10/25/39/1131102539.db2.gz FDUXRXDFYPXOQD-UHFFFAOYSA-N 1 2 298.789 3.946 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(F)cc(Cl)c1O)C1CCCC1 ZINC001237812285 1131142419 /nfs/dbraw/zinc/14/24/19/1131142419.db2.gz FHHQVQVGRYVMJG-UHFFFAOYSA-N 1 2 296.773 3.843 20 30 CHEDLO N#CCC[N@H+](Cc1cc(F)cc(Cl)c1O)C1CCCC1 ZINC001237812285 1131142421 /nfs/dbraw/zinc/14/24/21/1131142421.db2.gz FHHQVQVGRYVMJG-UHFFFAOYSA-N 1 2 296.773 3.843 20 30 CHEDLO C=CC[N@H+](Cc1scnc1Br)C(C)(C)C ZINC001238039156 1131163987 /nfs/dbraw/zinc/16/39/87/1131163987.db2.gz JUROQFWMPXNLDT-UHFFFAOYSA-N 1 2 289.242 3.692 20 30 CHEDLO C=CC[N@@H+](Cc1scnc1Br)C(C)(C)C ZINC001238039156 1131163988 /nfs/dbraw/zinc/16/39/88/1131163988.db2.gz JUROQFWMPXNLDT-UHFFFAOYSA-N 1 2 289.242 3.692 20 30 CHEDLO CC(C)(C)OC(=O)C(C)(C)CC/[NH+]=C/c1ccccc1O ZINC000818991745 1131224652 /nfs/dbraw/zinc/22/46/52/1131224652.db2.gz IVVZELLSKKDOHS-LDADJPATSA-N 1 2 291.391 3.569 20 30 CHEDLO CN(C)c1cccc(Cl)c1C=[NH+]Nc1cccc(C#N)c1 ZINC001118516914 1131230104 /nfs/dbraw/zinc/23/01/04/1131230104.db2.gz OLTZJHWMLXOFDS-UHFFFAOYSA-N 1 2 298.777 3.724 20 30 CHEDLO N#Cc1cccc(OCC[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001171017241 1131428301 /nfs/dbraw/zinc/42/83/01/1131428301.db2.gz BFOSPTIXFMXXAW-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO N#Cc1cccc(OCC[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001171017241 1131428304 /nfs/dbraw/zinc/42/83/04/1131428304.db2.gz BFOSPTIXFMXXAW-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO Cc1ccc(F)c(C[NH+]2CCC(C#N)CC2)c1Cl ZINC001138022892 1131452633 /nfs/dbraw/zinc/45/26/33/1131452633.db2.gz QIBNNJCXCGXYCX-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001143371355 1131518651 /nfs/dbraw/zinc/51/86/51/1131518651.db2.gz PXCWBKMVQPYEAG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001143371355 1131518654 /nfs/dbraw/zinc/51/86/54/1131518654.db2.gz PXCWBKMVQPYEAG-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCCC(F)(F)CC1 ZINC001143716836 1131525632 /nfs/dbraw/zinc/52/56/32/1131525632.db2.gz XDMQXFXHYDYUQI-UHFFFAOYSA-N 1 2 284.737 3.833 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001143716836 1131525634 /nfs/dbraw/zinc/52/56/34/1131525634.db2.gz XDMQXFXHYDYUQI-UHFFFAOYSA-N 1 2 284.737 3.833 20 30 CHEDLO N#Cc1cccc(Cl)c1C[NH+]1CC2(C1)CCCC2 ZINC001143718929 1131525732 /nfs/dbraw/zinc/52/57/32/1131525732.db2.gz QCEBEQJDGPWCEX-UHFFFAOYSA-N 1 2 260.768 3.588 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143847560 1131537108 /nfs/dbraw/zinc/53/71/08/1131537108.db2.gz RBFADJYJRHZOPI-UHFFFAOYSA-N 1 2 284.762 3.613 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143847560 1131537112 /nfs/dbraw/zinc/53/71/12/1131537112.db2.gz RBFADJYJRHZOPI-UHFFFAOYSA-N 1 2 284.762 3.613 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417433 1131608249 /nfs/dbraw/zinc/60/82/49/1131608249.db2.gz HDTJFLVTPRYTBX-GFCCVEGCSA-N 1 2 286.762 3.945 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001139417433 1131608252 /nfs/dbraw/zinc/60/82/52/1131608252.db2.gz HDTJFLVTPRYTBX-GFCCVEGCSA-N 1 2 286.762 3.945 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001139480104 1131610688 /nfs/dbraw/zinc/61/06/88/1131610688.db2.gz UDIKFDJMJPUPBF-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001139649000 1131626628 /nfs/dbraw/zinc/62/66/28/1131626628.db2.gz JMLASNYRDKTTAR-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001139649000 1131626630 /nfs/dbraw/zinc/62/66/30/1131626630.db2.gz JMLASNYRDKTTAR-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO C=CCn1cc(C[N@@H+](C)[C@@H](C)c2ccccc2Cl)cn1 ZINC001139771123 1131636418 /nfs/dbraw/zinc/63/64/18/1131636418.db2.gz OUGFBWWQSMHRGQ-ZDUSSCGKSA-N 1 2 289.810 3.916 20 30 CHEDLO C=CCn1cc(C[N@H+](C)[C@@H](C)c2ccccc2Cl)cn1 ZINC001139771123 1131636419 /nfs/dbraw/zinc/63/64/19/1131636419.db2.gz OUGFBWWQSMHRGQ-ZDUSSCGKSA-N 1 2 289.810 3.916 20 30 CHEDLO C=CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845520518 1131639436 /nfs/dbraw/zinc/63/94/36/1131639436.db2.gz ALEFBUZNDRQQAV-GOEBONIOSA-N 1 2 284.359 3.695 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1C(F)(F)F)C1CCCC1 ZINC001144531793 1131652415 /nfs/dbraw/zinc/65/24/15/1131652415.db2.gz ZEOUCPCIOVNCTM-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1C(F)(F)F)C1CCCC1 ZINC001144531793 1131652417 /nfs/dbraw/zinc/65/24/17/1131652417.db2.gz ZEOUCPCIOVNCTM-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO Cc1ccc2n[nH]c(C[N@H+](CCC#N)C3CCCC3)c2c1 ZINC001140330530 1131700286 /nfs/dbraw/zinc/70/02/86/1131700286.db2.gz DKJUQBBNEASVGJ-UHFFFAOYSA-N 1 2 282.391 3.530 20 30 CHEDLO Cc1ccc2n[nH]c(C[N@@H+](CCC#N)C3CCCC3)c2c1 ZINC001140330530 1131700290 /nfs/dbraw/zinc/70/02/90/1131700290.db2.gz DKJUQBBNEASVGJ-UHFFFAOYSA-N 1 2 282.391 3.530 20 30 CHEDLO N#CCC[N@@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140345568 1131704331 /nfs/dbraw/zinc/70/43/31/1131704331.db2.gz WNVXAMVLNNSHQJ-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO N#CCC[N@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140345568 1131704335 /nfs/dbraw/zinc/70/43/35/1131704335.db2.gz WNVXAMVLNNSHQJ-UHFFFAOYSA-N 1 2 278.783 3.704 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140437732 1131737459 /nfs/dbraw/zinc/73/74/59/1131737459.db2.gz IZMYBNBBWLCCRF-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140437732 1131737464 /nfs/dbraw/zinc/73/74/64/1131737464.db2.gz IZMYBNBBWLCCRF-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO Cc1ccc(Cl)nc1C[N@H+](CCC#N)C1CCCC1 ZINC001140447716 1131741857 /nfs/dbraw/zinc/74/18/57/1131741857.db2.gz JHCNGKAMEZQZKF-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO Cc1ccc(Cl)nc1C[N@@H+](CCC#N)C1CCCC1 ZINC001140447716 1131741858 /nfs/dbraw/zinc/74/18/58/1131741858.db2.gz JHCNGKAMEZQZKF-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO C#C[C@@H](Oc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC001228327819 1131858254 /nfs/dbraw/zinc/85/82/54/1131858254.db2.gz WCXVOWQAUXSODR-QGZVFWFLSA-N 1 2 262.312 3.625 20 30 CHEDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000037270316 1132027627 /nfs/dbraw/zinc/02/76/27/1132027627.db2.gz MFHXOBLETXKGQJ-ZDUSSCGKSA-N 1 2 265.360 3.797 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141314918 1132079911 /nfs/dbraw/zinc/07/99/11/1132079911.db2.gz IRSIWUBKDNTUHT-UHFFFAOYSA-N 1 2 284.334 3.963 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141314918 1132079919 /nfs/dbraw/zinc/07/99/19/1132079919.db2.gz IRSIWUBKDNTUHT-UHFFFAOYSA-N 1 2 284.334 3.963 20 30 CHEDLO N#C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC001229954018 1132136172 /nfs/dbraw/zinc/13/61/72/1132136172.db2.gz IDSVJPMJQMVWLX-KRWDZBQOSA-N 1 2 293.301 3.655 20 30 CHEDLO C=CCC[C@@H](CC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954535 1132137295 /nfs/dbraw/zinc/13/72/95/1132137295.db2.gz QOFSAILFTSOCIO-OAHLLOKOSA-N 1 2 256.349 3.996 20 30 CHEDLO C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C#N ZINC001229955143 1132137314 /nfs/dbraw/zinc/13/73/14/1132137314.db2.gz XMUBVEJXMRLNNW-CQSZACIVSA-N 1 2 289.338 3.884 20 30 CHEDLO C[C@H](C#C[Si](C)(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229955000 1132137434 /nfs/dbraw/zinc/13/74/34/1132137434.db2.gz XCCMZQZCGXPTMV-CQSZACIVSA-N 1 2 284.435 3.520 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001172314595 1132156471 /nfs/dbraw/zinc/15/64/71/1132156471.db2.gz KSHFULBPGCLKHL-IUODEOHRSA-N 1 2 296.336 3.558 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001172314595 1132156472 /nfs/dbraw/zinc/15/64/72/1132156472.db2.gz KSHFULBPGCLKHL-IUODEOHRSA-N 1 2 296.336 3.558 20 30 CHEDLO C#CC[N@@H+](C)Cc1c(Br)ccc2ccccc21 ZINC001141721450 1132239621 /nfs/dbraw/zinc/23/96/21/1132239621.db2.gz XJVAKYQCJZCEIH-UHFFFAOYSA-N 1 2 288.188 3.667 20 30 CHEDLO C#CC[N@H+](C)Cc1c(Br)ccc2ccccc21 ZINC001141721450 1132239625 /nfs/dbraw/zinc/23/96/25/1132239625.db2.gz XJVAKYQCJZCEIH-UHFFFAOYSA-N 1 2 288.188 3.667 20 30 CHEDLO C[C@@H](C#C[Si](C)(C)C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083953 1132254532 /nfs/dbraw/zinc/25/45/32/1132254532.db2.gz QPSDCVFNUNJTAW-AWEZNQCLSA-N 1 2 298.462 3.735 20 30 CHEDLO C#C[C@@H](CCCC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083970 1132255391 /nfs/dbraw/zinc/25/53/91/1132255391.db2.gz RLHMKDPUYKOKHD-HNNXBMFYSA-N 1 2 268.360 3.658 20 30 CHEDLO COc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)cc1C(C)C ZINC001231627125 1132329596 /nfs/dbraw/zinc/32/95/96/1132329596.db2.gz WOUQUINGEIGMRF-OAHLLOKOSA-N 1 2 286.419 3.863 20 30 CHEDLO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)cc1C(C)C ZINC001231627125 1132329602 /nfs/dbraw/zinc/32/96/02/1132329602.db2.gz WOUQUINGEIGMRF-OAHLLOKOSA-N 1 2 286.419 3.863 20 30 CHEDLO C#Cc1cccc(C[N@@H+](C)Cc2csc(C(C)C)n2)c1 ZINC001231662934 1132339941 /nfs/dbraw/zinc/33/99/41/1132339941.db2.gz LSIAOJQSJMMFHU-UHFFFAOYSA-N 1 2 284.428 3.880 20 30 CHEDLO C#Cc1cccc(C[N@H+](C)Cc2csc(C(C)C)n2)c1 ZINC001231662934 1132339948 /nfs/dbraw/zinc/33/99/48/1132339948.db2.gz LSIAOJQSJMMFHU-UHFFFAOYSA-N 1 2 284.428 3.880 20 30 CHEDLO N#Cc1ccc(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212696868 1132377063 /nfs/dbraw/zinc/37/70/63/1132377063.db2.gz QTKYIQAMUINKCB-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO C#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001212699864 1132377500 /nfs/dbraw/zinc/37/75/00/1132377500.db2.gz HWMKTQWKJGOGGX-UHFFFAOYSA-N 1 2 291.329 3.795 20 30 CHEDLO Cc1cccc(C#N)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697573 1132377561 /nfs/dbraw/zinc/37/75/61/1132377561.db2.gz GPVAHFPUXWPEIP-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1scnc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001232204415 1132435723 /nfs/dbraw/zinc/43/57/23/1132435723.db2.gz OAQGKQCLJJAEKM-UHFFFAOYSA-N 1 2 297.427 3.509 20 30 CHEDLO Cc1[nH]c(CN(CCC#N)C2CCCCCCC2)c[nH+]1 ZINC001232462465 1132473176 /nfs/dbraw/zinc/47/31/76/1132473176.db2.gz PIUIGNAQHJKANF-UHFFFAOYSA-N 1 2 274.412 3.547 20 30 CHEDLO Cc1[nH]cc(CN(CCC#N)C2CCCCCCC2)[nH+]1 ZINC001232462465 1132473180 /nfs/dbraw/zinc/47/31/80/1132473180.db2.gz PIUIGNAQHJKANF-UHFFFAOYSA-N 1 2 274.412 3.547 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1c(C)cccc1OC ZINC001232628429 1132498795 /nfs/dbraw/zinc/49/87/95/1132498795.db2.gz VRSOVRLHRNNQDJ-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1c(C)cccc1OC ZINC001232628429 1132498799 /nfs/dbraw/zinc/49/87/99/1132498799.db2.gz VRSOVRLHRNNQDJ-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001232677118 1132504480 /nfs/dbraw/zinc/50/44/80/1132504480.db2.gz ZXNRQIJQBAKQTQ-QGZVFWFLSA-N 1 2 292.382 3.643 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001232677118 1132504487 /nfs/dbraw/zinc/50/44/87/1132504487.db2.gz ZXNRQIJQBAKQTQ-QGZVFWFLSA-N 1 2 292.382 3.643 20 30 CHEDLO N#Cc1ccc(O)c(C[NH+]2CCC(c3cccs3)CC2)c1 ZINC001232679750 1132505194 /nfs/dbraw/zinc/50/51/94/1132505194.db2.gz RLIZMDMDXLGCGQ-UHFFFAOYSA-N 1 2 298.411 3.705 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C#N)ccc1O)C1CCCCC1 ZINC001232680944 1132505936 /nfs/dbraw/zinc/50/59/36/1132505936.db2.gz IXGAUOJXTWTIPQ-UHFFFAOYSA-N 1 2 270.376 3.585 20 30 CHEDLO C=CC[N@H+](Cc1cc(C#N)ccc1O)C1CCCCC1 ZINC001232680944 1132505943 /nfs/dbraw/zinc/50/59/43/1132505943.db2.gz IXGAUOJXTWTIPQ-UHFFFAOYSA-N 1 2 270.376 3.585 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232735642 1132512034 /nfs/dbraw/zinc/51/20/34/1132512034.db2.gz ZRLFFMGKYYHKKA-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232735642 1132512040 /nfs/dbraw/zinc/51/20/40/1132512040.db2.gz ZRLFFMGKYYHKKA-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C=CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001151979183 1132576810 /nfs/dbraw/zinc/57/68/10/1132576810.db2.gz MZHCYTKFDZZDNS-OAHLLOKOSA-N 1 2 291.354 3.610 20 30 CHEDLO Cc1cc(Cl)c(C)c(NCc2ccccc2C#N)[nH+]1 ZINC001156786595 1132710269 /nfs/dbraw/zinc/71/02/69/1132710269.db2.gz HIFYOFIULPEQGM-UHFFFAOYSA-N 1 2 271.751 3.836 20 30 CHEDLO C=CCN(c1cc(N2CCC[C@@H](C)C2)[nH+]cn1)C(C)(C)C ZINC001157585945 1132735625 /nfs/dbraw/zinc/73/56/25/1132735625.db2.gz XIORUVSJTKRRRW-CQSZACIVSA-N 1 2 288.439 3.504 20 30 CHEDLO C=CCN(c1cc(N2CCC[C@@H](C)C2)nc[nH+]1)C(C)(C)C ZINC001157585945 1132735630 /nfs/dbraw/zinc/73/56/30/1132735630.db2.gz XIORUVSJTKRRRW-CQSZACIVSA-N 1 2 288.439 3.504 20 30 CHEDLO C[C@@H]1C[C@@H](Nc2cc(CC#N)cc[nH+]2)c2ccccc21 ZINC001158470232 1132779228 /nfs/dbraw/zinc/77/92/28/1132779228.db2.gz BVBGVUZCEKBSFN-MLGOLLRUSA-N 1 2 263.344 3.808 20 30 CHEDLO C#C[C@@](C)(CC)Nc1cc(-c2ccccc2)cc[nH+]1 ZINC001158738279 1132789936 /nfs/dbraw/zinc/78/99/36/1132789936.db2.gz ZPUWBXBALAMKCI-KRWDZBQOSA-N 1 2 250.345 3.962 20 30 CHEDLO C#C[C@@](C)(CC)Nc1cc(C)c2cc(OC)ccc2[nH+]1 ZINC001158737491 1132790679 /nfs/dbraw/zinc/79/06/79/1132790679.db2.gz HQIZWXPGKXTEJV-KRWDZBQOSA-N 1 2 268.360 3.766 20 30 CHEDLO N#Cc1ccc(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174524024 1132913442 /nfs/dbraw/zinc/91/34/42/1132913442.db2.gz ABZYRZYFCDQGKU-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1cncc(CNc2[nH+]ccc3cc(Cl)ccc32)c1 ZINC001160992251 1132989121 /nfs/dbraw/zinc/98/91/21/1132989121.db2.gz HGCYWLNSISYGKI-UHFFFAOYSA-N 1 2 294.745 3.767 20 30 CHEDLO CC(C)(Nc1cc2cc[nH]c2c[nH+]1)c1ccc(C#N)cc1 ZINC001165719789 1133249357 /nfs/dbraw/zinc/24/93/57/1133249357.db2.gz NJPFESXXRGUPBO-UHFFFAOYSA-N 1 2 276.343 3.782 20 30 CHEDLO N#CC[C@@H]1CCCN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001166740135 1133283521 /nfs/dbraw/zinc/28/35/21/1133283521.db2.gz BFNHCGSDULUPNZ-HNNXBMFYSA-N 1 2 277.371 3.879 20 30 CHEDLO COC(C)(C)[C@@H]1CCCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166793269 1133287764 /nfs/dbraw/zinc/28/77/64/1133287764.db2.gz ZQSZAQCAADHACA-INIZCTEOSA-N 1 2 295.386 3.500 20 30 CHEDLO CC(=O)c1ccc(Nc2cc(C)c[nH+]c2C)c(C#N)c1 ZINC001203663512 1133351308 /nfs/dbraw/zinc/35/13/08/1133351308.db2.gz NMQAJXLAUMRTOV-UHFFFAOYSA-N 1 2 265.316 3.516 20 30 CHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1F ZINC001204037627 1133402728 /nfs/dbraw/zinc/40/27/28/1133402728.db2.gz YPBGGXQDNWKCBV-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)nc1 ZINC001205429956 1133577277 /nfs/dbraw/zinc/57/72/77/1133577277.db2.gz IRIBBCQDHKIVBT-UHFFFAOYSA-N 1 2 285.313 3.616 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)nc1 ZINC001205429956 1133577278 /nfs/dbraw/zinc/57/72/78/1133577278.db2.gz IRIBBCQDHKIVBT-UHFFFAOYSA-N 1 2 285.313 3.616 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H]2C#N)cc1 ZINC001207932840 1133864347 /nfs/dbraw/zinc/86/43/47/1133864347.db2.gz QKQYIXYMGFJAID-QAPCUYQASA-N 1 2 270.420 3.977 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]2C#N)cc1 ZINC001207932840 1133864351 /nfs/dbraw/zinc/86/43/51/1133864351.db2.gz QKQYIXYMGFJAID-QAPCUYQASA-N 1 2 270.420 3.977 20 30 CHEDLO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCCC[C@@H]1C#N ZINC001208217790 1133908735 /nfs/dbraw/zinc/90/87/35/1133908735.db2.gz LBXCUOQDCRXWSJ-JKSUJKDBSA-N 1 2 280.456 3.986 20 30 CHEDLO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC[C@@H]1C#N ZINC001208217790 1133908738 /nfs/dbraw/zinc/90/87/38/1133908738.db2.gz LBXCUOQDCRXWSJ-JKSUJKDBSA-N 1 2 280.456 3.986 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C#N)cc1OC ZINC001209328910 1134005343 /nfs/dbraw/zinc/00/53/43/1134005343.db2.gz RIOYCPCGRVXHSX-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO C#Cc1cc(Nc2ccc([NH+](C)C)c(C)c2)ccc1F ZINC001210042709 1134131714 /nfs/dbraw/zinc/13/17/14/1134131714.db2.gz AWWKMCLHTXXDHV-UHFFFAOYSA-N 1 2 268.335 3.925 20 30 CHEDLO C#Cc1ccccc1Nc1ccc([NH+](C)C)c(C)c1 ZINC001210042817 1134132496 /nfs/dbraw/zinc/13/24/96/1134132496.db2.gz DBAAAQPTSWHZAV-UHFFFAOYSA-N 1 2 250.345 3.786 20 30 CHEDLO N#Cc1cc2cccnc2nc1Nc1ccc2c[nH+]ccc2c1 ZINC001210043547 1134133262 /nfs/dbraw/zinc/13/32/62/1134133262.db2.gz GRBBVQZUFCMNEX-UHFFFAOYSA-N 1 2 297.321 3.793 20 30 CHEDLO N#Cc1cnc(Nc2ccc3c[nH+]ccc3c2)c(Cl)c1 ZINC001210044292 1134133332 /nfs/dbraw/zinc/13/33/32/1134133332.db2.gz OLOYBFAEONFPCF-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO Cc1cccc(C#N)c1Nc1ccc([NH+](C)C)c(C)c1 ZINC001210043703 1134133626 /nfs/dbraw/zinc/13/36/26/1134133626.db2.gz QTGJLQYYKFCJHF-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO Cc1[nH+]cc(Nc2cc(C#N)ccc2C(F)(F)F)cc1N ZINC001210289558 1134186630 /nfs/dbraw/zinc/18/66/30/1134186630.db2.gz RERDVVCKXOUVHZ-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1[nH+]cccc1N1CCCC1 ZINC001210501231 1134231023 /nfs/dbraw/zinc/23/10/23/1134231023.db2.gz YTIPMFMUVWPGFK-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C#Cc1cc(Nc2ccc(C)cc2C(F)(F)F)cc[nH+]1 ZINC001210524216 1134239212 /nfs/dbraw/zinc/23/92/12/1134239212.db2.gz JJFZMNHSIOJIBY-UHFFFAOYSA-N 1 2 276.261 3.556 20 30 CHEDLO CCc1ccc(C)[nH+]c1Nc1ccc(C)cc1C#N ZINC001210564686 1134249782 /nfs/dbraw/zinc/24/97/82/1134249782.db2.gz CYBROSAWDBTHLJ-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1 ZINC001210566558 1134250994 /nfs/dbraw/zinc/25/09/94/1134250994.db2.gz IFYDKPALBUFXDE-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO C#Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)cc[nH+]1 ZINC001210684818 1134274795 /nfs/dbraw/zinc/27/47/95/1134274795.db2.gz UWWGZKDNADFPCB-UHFFFAOYSA-N 1 2 276.261 3.556 20 30 CHEDLO COc1cc(Nc2cccc(Cl)c2C#N)cc(C)[nH+]1 ZINC001210780441 1134294979 /nfs/dbraw/zinc/29/49/79/1134294979.db2.gz KFIMMNOUYABLLD-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO N#Cc1cc(F)cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213088922 1134425375 /nfs/dbraw/zinc/42/53/75/1134425375.db2.gz KUEBPSCKYHRDNV-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO N#CCc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213090849 1134425635 /nfs/dbraw/zinc/42/56/35/1134425635.db2.gz JFSZVCNGJAWYLC-UHFFFAOYSA-N 1 2 274.327 3.886 20 30 CHEDLO N#Cc1cc(F)cc(F)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091083 1134426054 /nfs/dbraw/zinc/42/60/54/1134426054.db2.gz VQGHATMINUUIHH-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C#N)cc1C#N ZINC001213503527 1134456659 /nfs/dbraw/zinc/45/66/59/1134456659.db2.gz KTFQAISTFXOGBA-UHFFFAOYSA-N 1 2 274.327 3.754 20 30 CHEDLO Cc1cc(C)c(Nc2c(C)ccc(C)c2C#N)c[nH+]1 ZINC001213520788 1134459520 /nfs/dbraw/zinc/45/95/20/1134459520.db2.gz HXUOIAFHDWQELF-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(C#N)c(F)c2F)c[nH+]1 ZINC001213518444 1134459561 /nfs/dbraw/zinc/45/95/61/1134459561.db2.gz OQOZJBJXTUVAEZ-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000301759899 1134489943 /nfs/dbraw/zinc/48/99/43/1134489943.db2.gz IDIPTSJGVRYOFW-OAHLLOKOSA-N 1 2 286.419 3.813 20 30 CHEDLO Cc1cn2cccc(Nc3ccc(C)c(C#N)c3)c2[nH+]1 ZINC001216072581 1134766311 /nfs/dbraw/zinc/76/63/11/1134766311.db2.gz UVTDRMASEVCOLL-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(C)c(C#N)c2)[nH+]1 ZINC001216073008 1134766429 /nfs/dbraw/zinc/76/64/29/1134766429.db2.gz MIJZHGBWOSWJPR-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001216176442 1134795542 /nfs/dbraw/zinc/79/55/42/1134795542.db2.gz QQAJYGIREWEJEH-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CSc1cc(Nc2cccc(C#N)c2C)cc[nH+]1 ZINC001216176389 1134796051 /nfs/dbraw/zinc/79/60/51/1134796051.db2.gz OKUSAPUYUQJLHO-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO CCc1cc(Nc2cccc3[nH+]c(C)cn32)ccc1C#N ZINC001216313780 1134848241 /nfs/dbraw/zinc/84/82/41/1134848241.db2.gz VQDJRWAMLLEDFA-UHFFFAOYSA-N 1 2 276.343 3.820 20 30 CHEDLO CCc1cccc(Nc2ccc(C#N)c(CC)c2)[nH+]1 ZINC001216316236 1134848727 /nfs/dbraw/zinc/84/87/27/1134848727.db2.gz LSOJFNQBGDJODW-UHFFFAOYSA-N 1 2 251.333 3.822 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(Cl)ccc2C#N)c1 ZINC000404465806 1134946354 /nfs/dbraw/zinc/94/63/54/1134946354.db2.gz BFZPQDWCGGAGQY-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cc(CO[C@H](CC#N)c2ccccc2)cc(C)[nH+]1 ZINC001223426178 1135345302 /nfs/dbraw/zinc/34/53/02/1135345302.db2.gz ZROJNQIAMJPIRL-QGZVFWFLSA-N 1 2 266.344 3.870 20 30 CHEDLO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2c(C)cc[nH+]c2C)O1 ZINC001227264170 1135812918 /nfs/dbraw/zinc/81/29/18/1135812918.db2.gz KJMXWITVWWWSIL-WMLDXEAASA-N 1 2 275.392 3.980 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000227354313 262388634 /nfs/dbraw/zinc/38/86/34/262388634.db2.gz DDSMXGQKCJXCDT-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C=CCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000575131932 335070695 /nfs/dbraw/zinc/07/06/95/335070695.db2.gz KBRJFEJOVODINJ-MRXNPFEDSA-N 1 2 281.346 3.694 20 30 CHEDLO C=CCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000575131932 335070696 /nfs/dbraw/zinc/07/06/96/335070696.db2.gz KBRJFEJOVODINJ-MRXNPFEDSA-N 1 2 281.346 3.694 20 30 CHEDLO C[C@H]1CCC[C@H](C)C1[NH2+]c1ccc(OCC#N)cc1 ZINC000020126420 171010259 /nfs/dbraw/zinc/01/02/59/171010259.db2.gz UEFGDYUDSOZVOH-STQMWFEESA-N 1 2 258.365 3.826 20 30 CHEDLO Cc1nc(CC2CC2)oc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000330004790 228013800 /nfs/dbraw/zinc/01/38/00/228013800.db2.gz BKRQEQABWLNMGX-UHFFFAOYSA-N 1 2 299.374 3.892 20 30 CHEDLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356056741 228103288 /nfs/dbraw/zinc/10/32/88/228103288.db2.gz DDGPAVXECWIPEO-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356056741 228103291 /nfs/dbraw/zinc/10/32/91/228103291.db2.gz DDGPAVXECWIPEO-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO COc1cc(C)ccc1[NH2+]CCCC1(C#N)CCOCC1 ZINC000347848263 533683671 /nfs/dbraw/zinc/68/36/71/533683671.db2.gz HCAIEELANCJADN-UHFFFAOYSA-N 1 2 288.391 3.516 20 30 CHEDLO C=CCOc1ccccc1CNc1c[nH+]ccc1C ZINC000071413719 260162602 /nfs/dbraw/zinc/16/26/02/260162602.db2.gz DLWWPHUHPSFNKX-UHFFFAOYSA-N 1 2 254.333 3.567 20 30 CHEDLO C=CC[C@@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000187726016 260254013 /nfs/dbraw/zinc/25/40/13/260254013.db2.gz NRKZMVQEWFFXEL-OAHLLOKOSA-N 1 2 266.344 3.688 20 30 CHEDLO N#CCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000071115068 260271802 /nfs/dbraw/zinc/27/18/02/260271802.db2.gz CDSKFQJAIDXVDV-UHFFFAOYSA-N 1 2 262.403 3.725 20 30 CHEDLO Cc1c[nH+]ccc1CCNc1cc(Cl)ccc1C#N ZINC000301823821 261342001 /nfs/dbraw/zinc/34/20/01/261342001.db2.gz HWHRBCQEWWVQIY-UHFFFAOYSA-N 1 2 271.751 3.570 20 30 CHEDLO CC[C@H](Nc1cccc(OCCCC#N)c1)c1[nH+]ccn1C ZINC000179822377 261818207 /nfs/dbraw/zinc/81/82/07/261818207.db2.gz XLMSGQYJEGCCGQ-INIZCTEOSA-N 1 2 298.390 3.666 20 30 CHEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCCCC#N ZINC000189495963 262172343 /nfs/dbraw/zinc/17/23/43/262172343.db2.gz GHZBNDVWOQLMSS-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCCCC#N ZINC000189495963 262172344 /nfs/dbraw/zinc/17/23/44/262172344.db2.gz GHZBNDVWOQLMSS-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO CCCCCCCC[S@](=O)Cc1cn2ccccc2[nH+]1 ZINC000190818046 262186019 /nfs/dbraw/zinc/18/60/19/262186019.db2.gz GJQVSLOHLVXIEM-FQEVSTJZSA-N 1 2 292.448 3.944 20 30 CHEDLO CC(C)N(C)c1ccc(/C=C/C(=O)c2ccsc2)c[nH+]1 ZINC000191289254 262191141 /nfs/dbraw/zinc/19/11/41/262191141.db2.gz HQBAPDPDOJLUPT-GQCTYLIASA-N 1 2 286.400 3.884 20 30 CHEDLO Cc1ccc2ncc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc2c1 ZINC000411398965 262691583 /nfs/dbraw/zinc/69/15/83/262691583.db2.gz DQPPQHBGRLEDJZ-CQSZACIVSA-N 1 2 279.387 3.667 20 30 CHEDLO Cc1ccc2ncc(C[N@H+](C[C@H](C)C#N)C3CC3)cc2c1 ZINC000411398965 262691584 /nfs/dbraw/zinc/69/15/84/262691584.db2.gz DQPPQHBGRLEDJZ-CQSZACIVSA-N 1 2 279.387 3.667 20 30 CHEDLO COc1cc(CNc2ccc3c(c2)CCC[NH2+]3)ccc1C#N ZINC000414848706 263065039 /nfs/dbraw/zinc/06/50/39/263065039.db2.gz KUOZQZRQTLROIG-UHFFFAOYSA-N 1 2 293.370 3.537 20 30 CHEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000286936726 263100300 /nfs/dbraw/zinc/10/03/00/263100300.db2.gz LOXSZFDQEAGETO-OCCSQVGLSA-N 1 2 273.405 3.575 20 30 CHEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000286936726 263100301 /nfs/dbraw/zinc/10/03/01/263100301.db2.gz LOXSZFDQEAGETO-OCCSQVGLSA-N 1 2 273.405 3.575 20 30 CHEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000286936731 263100440 /nfs/dbraw/zinc/10/04/40/263100440.db2.gz LOXSZFDQEAGETO-TZMCWYRMSA-N 1 2 273.405 3.575 20 30 CHEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000286936731 263100441 /nfs/dbraw/zinc/10/04/41/263100441.db2.gz LOXSZFDQEAGETO-TZMCWYRMSA-N 1 2 273.405 3.575 20 30 CHEDLO C=CC[N@@H+](CCC#N)C[C@H](OC(C)C)c1ccccc1 ZINC000292038490 263127699 /nfs/dbraw/zinc/12/76/99/263127699.db2.gz AFXGHLWLIXSIBO-KRWDZBQOSA-N 1 2 272.392 3.554 20 30 CHEDLO C=CC[N@H+](CCC#N)C[C@H](OC(C)C)c1ccccc1 ZINC000292038490 263127700 /nfs/dbraw/zinc/12/77/00/263127700.db2.gz AFXGHLWLIXSIBO-KRWDZBQOSA-N 1 2 272.392 3.554 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000292318907 263130936 /nfs/dbraw/zinc/13/09/36/263130936.db2.gz VTRROBNPZKFTKQ-GFCCVEGCSA-N 1 2 280.318 3.751 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000292318907 263130937 /nfs/dbraw/zinc/13/09/37/263130937.db2.gz VTRROBNPZKFTKQ-GFCCVEGCSA-N 1 2 280.318 3.751 20 30 CHEDLO CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292754490 263134638 /nfs/dbraw/zinc/13/46/38/263134638.db2.gz ODMCLRSCUYSBGU-CYBMUJFWSA-N 1 2 266.335 3.912 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763010 263181776 /nfs/dbraw/zinc/18/17/76/263181776.db2.gz RTYYHMIANWWXKU-GWCFXTLKSA-N 1 2 278.758 3.529 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763010 263181777 /nfs/dbraw/zinc/18/17/77/263181777.db2.gz RTYYHMIANWWXKU-GWCFXTLKSA-N 1 2 278.758 3.529 20 30 CHEDLO C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2nccn21 ZINC000296662457 263194775 /nfs/dbraw/zinc/19/47/75/263194775.db2.gz FIKJSRQWINHHLY-KBMXLJTQSA-N 1 2 280.375 3.524 20 30 CHEDLO C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2nccn21 ZINC000296662453 263194844 /nfs/dbraw/zinc/19/48/44/263194844.db2.gz FIKJSRQWINHHLY-FVQBIDKESA-N 1 2 280.375 3.524 20 30 CHEDLO CC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(F)F ZINC000453253977 263211012 /nfs/dbraw/zinc/21/10/12/263211012.db2.gz XNMRWYQPWXPTNW-LSDHHAIUSA-N 1 2 278.346 3.959 20 30 CHEDLO Cc1csc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000187688868 263265619 /nfs/dbraw/zinc/26/56/19/263265619.db2.gz UGAWFMBWXQXWIP-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1csc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000187688868 263265620 /nfs/dbraw/zinc/26/56/20/263265620.db2.gz UGAWFMBWXQXWIP-GFCCVEGCSA-N 1 2 271.389 3.516 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356190559 266067529 /nfs/dbraw/zinc/06/75/29/266067529.db2.gz IEWOFQZQFQYJRC-QMMMGPOBSA-N 1 2 262.300 3.501 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356190559 266067533 /nfs/dbraw/zinc/06/75/33/266067533.db2.gz IEWOFQZQFQYJRC-QMMMGPOBSA-N 1 2 262.300 3.501 20 30 CHEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC000356473476 266120627 /nfs/dbraw/zinc/12/06/27/266120627.db2.gz KEUDSVVOFHVUET-QWRGUYRKSA-N 1 2 252.308 3.507 20 30 CHEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC000356473476 266120630 /nfs/dbraw/zinc/12/06/30/266120630.db2.gz KEUDSVVOFHVUET-QWRGUYRKSA-N 1 2 252.308 3.507 20 30 CHEDLO N#CC1(C[NH2+]Cc2csc(Cl)c2Cl)CCC1 ZINC000418143455 267365020 /nfs/dbraw/zinc/36/50/20/267365020.db2.gz PNLYQEYMCPGQHF-UHFFFAOYSA-N 1 2 275.204 3.838 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000183826237 327766116 /nfs/dbraw/zinc/76/61/16/327766116.db2.gz SGYKJCVGAMYASG-OAHLLOKOSA-N 1 2 280.371 3.515 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000565169697 328073686 /nfs/dbraw/zinc/07/36/86/328073686.db2.gz BJFJSFJTVPYRMB-SNVBAGLBSA-N 1 2 297.280 3.628 20 30 CHEDLO C[C@H](CCC#N)[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767704 328099265 /nfs/dbraw/zinc/09/92/65/328099265.db2.gz OJJZRMIEEYXESX-ABAIWWIYSA-N 1 2 282.309 3.528 20 30 CHEDLO C[C@H](CCC#N)[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767704 328099266 /nfs/dbraw/zinc/09/92/66/328099266.db2.gz OJJZRMIEEYXESX-ABAIWWIYSA-N 1 2 282.309 3.528 20 30 CHEDLO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336713285 328137023 /nfs/dbraw/zinc/13/70/23/328137023.db2.gz OLRBMPFUMOYFAE-NSHDSACASA-N 1 2 293.208 3.553 20 30 CHEDLO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336713285 328137025 /nfs/dbraw/zinc/13/70/25/328137025.db2.gz OLRBMPFUMOYFAE-NSHDSACASA-N 1 2 293.208 3.553 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000275265512 328214815 /nfs/dbraw/zinc/21/48/15/328214815.db2.gz KMCUECMHLKZGRS-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281884818 328506196 /nfs/dbraw/zinc/50/61/96/328506196.db2.gz SJZMMOCNXCKEAF-LSDHHAIUSA-N 1 2 289.423 3.559 20 30 CHEDLO C=CCCCCCN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290733039 328530850 /nfs/dbraw/zinc/53/08/50/328530850.db2.gz PLEOQPGQUPNWBL-UHFFFAOYSA-N 1 2 286.379 3.544 20 30 CHEDLO C=CCC(C)(C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000292964685 328542537 /nfs/dbraw/zinc/54/25/37/328542537.db2.gz GFFXNAPFAVUTKO-UHFFFAOYSA-N 1 2 269.348 3.618 20 30 CHEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000558888102 327129600 /nfs/dbraw/zinc/12/96/00/327129600.db2.gz VTQUJYHIVJAPSY-UHFFFAOYSA-N 1 2 296.761 3.743 20 30 CHEDLO C=CCC(C)(C)c1noc(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000560021514 327277996 /nfs/dbraw/zinc/27/79/96/327277996.db2.gz DFEDZLOPDZCGLD-UHFFFAOYSA-N 1 2 296.374 3.585 20 30 CHEDLO Cc1ccc2[nH]c(C[N@@H+](C)CC(C)(C)C#N)cc2c1C ZINC000560569885 327326224 /nfs/dbraw/zinc/32/62/24/327326224.db2.gz VUSLOMKUJUMIRG-UHFFFAOYSA-N 1 2 269.392 3.766 20 30 CHEDLO Cc1ccc2[nH]c(C[N@H+](C)CC(C)(C)C#N)cc2c1C ZINC000560569885 327326225 /nfs/dbraw/zinc/32/62/25/327326225.db2.gz VUSLOMKUJUMIRG-UHFFFAOYSA-N 1 2 269.392 3.766 20 30 CHEDLO Cc1ccc[nH+]c1CCNc1cccc(C(F)F)c1C#N ZINC000569824402 327549807 /nfs/dbraw/zinc/54/98/07/327549807.db2.gz HOAVXBHOEPBRSZ-UHFFFAOYSA-N 1 2 287.313 3.854 20 30 CHEDLO CC(C)([NH2+]CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000177190192 329180746 /nfs/dbraw/zinc/18/07/46/329180746.db2.gz ZSBMTMQFKNNXJE-UHFFFAOYSA-N 1 2 290.819 3.673 20 30 CHEDLO C=CC[N@@H+](Cc1cnn(CCC)c1)Cc1ccccc1F ZINC000179565765 329209760 /nfs/dbraw/zinc/20/97/60/329209760.db2.gz VNNYXPIBTIYJJV-UHFFFAOYSA-N 1 2 287.382 3.620 20 30 CHEDLO C=CC[N@H+](Cc1cnn(CCC)c1)Cc1ccccc1F ZINC000179565765 329209761 /nfs/dbraw/zinc/20/97/61/329209761.db2.gz VNNYXPIBTIYJJV-UHFFFAOYSA-N 1 2 287.382 3.620 20 30 CHEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)CC1CCCCC1 ZINC000182782957 329244584 /nfs/dbraw/zinc/24/45/84/329244584.db2.gz KLWDILPPWXOLSK-UHFFFAOYSA-N 1 2 290.455 3.502 20 30 CHEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)CC1CCCCC1 ZINC000182782957 329244585 /nfs/dbraw/zinc/24/45/85/329244585.db2.gz KLWDILPPWXOLSK-UHFFFAOYSA-N 1 2 290.455 3.502 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)o1 ZINC000186558771 329345488 /nfs/dbraw/zinc/34/54/88/329345488.db2.gz YITBQOYZZSVPNA-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)o1 ZINC000186558771 329345490 /nfs/dbraw/zinc/34/54/90/329345490.db2.gz YITBQOYZZSVPNA-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO N#Cc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)s1 ZINC000192148756 329429418 /nfs/dbraw/zinc/42/94/18/329429418.db2.gz NWDJVWKXHCFEDU-UHFFFAOYSA-N 1 2 283.278 3.646 20 30 CHEDLO C=CCCSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000028894959 329539427 /nfs/dbraw/zinc/53/94/27/329539427.db2.gz XMNMMOANXXQMDU-UHFFFAOYSA-N 1 2 296.399 3.543 20 30 CHEDLO Cc1cc(OCC2(C#N)CCC2)c2ccccc2[nH+]1 ZINC000418965655 329702622 /nfs/dbraw/zinc/70/26/22/329702622.db2.gz UMGVINJINNVANM-UHFFFAOYSA-N 1 2 252.317 3.616 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)cc1 ZINC000510106969 332892621 /nfs/dbraw/zinc/89/26/21/332892621.db2.gz WTYWQUDDUIXMRW-UHFFFAOYSA-N 1 2 264.319 3.616 20 30 CHEDLO C=C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000264464883 330061530 /nfs/dbraw/zinc/06/15/30/330061530.db2.gz HRIZZAIJYPGKGP-UHFFFAOYSA-N 1 2 250.411 3.593 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000572426217 330069987 /nfs/dbraw/zinc/06/99/87/330069987.db2.gz YGINNTDRSJMBQT-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000572426217 330069988 /nfs/dbraw/zinc/06/99/88/330069988.db2.gz YGINNTDRSJMBQT-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO CSc1ccc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000572451178 330099649 /nfs/dbraw/zinc/09/96/49/330099649.db2.gz GXBBOAVNCHQTKZ-UHFFFAOYSA-N 1 2 275.402 3.543 20 30 CHEDLO C#CCC1(C(=O)Nc2cc[nH+]cc2CC)CCCCC1 ZINC000276455971 330113796 /nfs/dbraw/zinc/11/37/96/330113796.db2.gz NROVOBBCKGQYHR-UHFFFAOYSA-N 1 2 270.376 3.556 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1ncc(C(F)(F)F)s1 ZINC000278833551 330120652 /nfs/dbraw/zinc/12/06/52/330120652.db2.gz AAUYQHHBMSYIKP-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1ncc(C(F)(F)F)s1 ZINC000278833551 330120653 /nfs/dbraw/zinc/12/06/53/330120653.db2.gz AAUYQHHBMSYIKP-UHFFFAOYSA-N 1 2 264.316 3.560 20 30 CHEDLO Cc1ccccc1OCCC[N@H+](CCC#N)Cc1ccco1 ZINC000081518119 330212360 /nfs/dbraw/zinc/21/23/60/330212360.db2.gz WDIPXBLMRRYTDH-UHFFFAOYSA-N 1 2 298.386 3.773 20 30 CHEDLO Cc1ccccc1OCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000081518119 330212361 /nfs/dbraw/zinc/21/23/61/330212361.db2.gz WDIPXBLMRRYTDH-UHFFFAOYSA-N 1 2 298.386 3.773 20 30 CHEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000533068544 330326413 /nfs/dbraw/zinc/32/64/13/330326413.db2.gz MZFUDCRHHIBPRV-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC000105936873 330330838 /nfs/dbraw/zinc/33/08/38/330330838.db2.gz YIYURGHTRYMGCB-UHFFFAOYSA-N 1 2 294.398 3.622 20 30 CHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC000105936873 330330839 /nfs/dbraw/zinc/33/08/39/330330839.db2.gz YIYURGHTRYMGCB-UHFFFAOYSA-N 1 2 294.398 3.622 20 30 CHEDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057872839 330379196 /nfs/dbraw/zinc/37/91/96/330379196.db2.gz NKWDMBYODMQLHJ-JTQLQIEISA-N 1 2 266.747 3.776 20 30 CHEDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057872841 330379228 /nfs/dbraw/zinc/37/92/28/330379228.db2.gz NKWDMBYODMQLHJ-SNVBAGLBSA-N 1 2 266.747 3.776 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000451972433 331049088 /nfs/dbraw/zinc/04/90/88/331049088.db2.gz OKLZIWGMIJDNHP-HNNXBMFYSA-N 1 2 276.330 3.796 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000451972433 331049089 /nfs/dbraw/zinc/04/90/89/331049089.db2.gz OKLZIWGMIJDNHP-HNNXBMFYSA-N 1 2 276.330 3.796 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1ccncn1)c1ccc(F)c(F)c1 ZINC000453199465 331100556 /nfs/dbraw/zinc/10/05/56/331100556.db2.gz QFGMVRSNMHZWPN-ZBEGNZNMSA-N 1 2 289.329 3.723 20 30 CHEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccco1 ZINC000453332545 331117837 /nfs/dbraw/zinc/11/78/37/331117837.db2.gz AXQHVAUELXKXHI-HZSPNIEDSA-N 1 2 271.364 3.779 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000489465248 332054218 /nfs/dbraw/zinc/05/42/18/332054218.db2.gz SEWCFKRQHSGKTR-LBPRGKRZSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000489465248 332054219 /nfs/dbraw/zinc/05/42/19/332054219.db2.gz SEWCFKRQHSGKTR-LBPRGKRZSA-N 1 2 264.438 3.981 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnc(CC)s1)c1ccc(Cl)cc1 ZINC000491264682 332176821 /nfs/dbraw/zinc/17/68/21/332176821.db2.gz HWPDFGYQLKUHLA-CQSZACIVSA-N 1 2 290.819 3.823 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1scnc1C)c1ccc(Cl)cc1F ZINC000491266959 332177500 /nfs/dbraw/zinc/17/75/00/332177500.db2.gz RKIKDVFLKKKSPW-CYBMUJFWSA-N 1 2 294.782 3.708 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ncc(CC)s1)c1ccc(Cl)cc1 ZINC000491628434 332251458 /nfs/dbraw/zinc/25/14/58/332251458.db2.gz KRKGWXLBZGZYMC-AWEZNQCLSA-N 1 2 290.819 3.823 20 30 CHEDLO C#C[C@H]([NH2+]Cc1scnc1C)c1ccc(Cl)cc1 ZINC000491631202 332253736 /nfs/dbraw/zinc/25/37/36/332253736.db2.gz QCNHPJDFRHKONW-ZDUSSCGKSA-N 1 2 276.792 3.569 20 30 CHEDLO C#C[C@H]([NH2+]Cc1occc1C)c1ccc(Cl)cc1 ZINC000491650632 332264452 /nfs/dbraw/zinc/26/44/52/332264452.db2.gz AUWWAQGDRNUGON-AWEZNQCLSA-N 1 2 259.736 3.706 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000491692453 332289138 /nfs/dbraw/zinc/28/91/38/332289138.db2.gz HLFGMOKRDMUELP-INIZCTEOSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC000491771979 332338338 /nfs/dbraw/zinc/33/83/38/332338338.db2.gz PROJCPYPPNMAGY-INIZCTEOSA-N 1 2 287.794 3.582 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000513472703 333021588 /nfs/dbraw/zinc/02/15/88/333021588.db2.gz KIYXNBJMCQKLPG-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccco1 ZINC000177231429 333055556 /nfs/dbraw/zinc/05/55/56/333055556.db2.gz KTSPPEFMSOJEEF-UHFFFAOYSA-N 1 2 293.288 3.782 20 30 CHEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccco1 ZINC000177231429 333055557 /nfs/dbraw/zinc/05/55/57/333055557.db2.gz KTSPPEFMSOJEEF-UHFFFAOYSA-N 1 2 293.288 3.782 20 30 CHEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N ZINC000177264196 333056295 /nfs/dbraw/zinc/05/62/95/333056295.db2.gz HLPSMGSVIVKDSB-ZDUSSCGKSA-N 1 2 294.320 3.538 20 30 CHEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N ZINC000177264196 333056296 /nfs/dbraw/zinc/05/62/96/333056296.db2.gz HLPSMGSVIVKDSB-ZDUSSCGKSA-N 1 2 294.320 3.538 20 30 CHEDLO C=CC[C@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000188907072 333175773 /nfs/dbraw/zinc/17/57/73/333175773.db2.gz SCHGCQYHUDQUEQ-INIZCTEOSA-N 1 2 266.344 3.688 20 30 CHEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000191961908 333227662 /nfs/dbraw/zinc/22/76/62/333227662.db2.gz MIDVOEUWDFTCCI-FXAWDEMLSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000191961908 333227663 /nfs/dbraw/zinc/22/76/63/333227663.db2.gz MIDVOEUWDFTCCI-FXAWDEMLSA-N 1 2 291.394 3.500 20 30 CHEDLO CCc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000194960733 333280078 /nfs/dbraw/zinc/28/00/78/333280078.db2.gz YGDZOEBOXOWVLY-UHFFFAOYSA-N 1 2 297.427 3.742 20 30 CHEDLO CCc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000194960733 333280079 /nfs/dbraw/zinc/28/00/79/333280079.db2.gz YGDZOEBOXOWVLY-UHFFFAOYSA-N 1 2 297.427 3.742 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000132099442 333972385 /nfs/dbraw/zinc/97/23/85/333972385.db2.gz QEWCWKXVHQAURB-UHFFFAOYSA-N 1 2 290.313 3.794 20 30 CHEDLO C=C(C)COCCNc1[nH+]cccc1OCc1ccccc1 ZINC000546182181 334018707 /nfs/dbraw/zinc/01/87/07/334018707.db2.gz CGACUSAVIWNYCR-UHFFFAOYSA-N 1 2 298.386 3.665 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC(C)(C)C#N ZINC000552317025 334316076 /nfs/dbraw/zinc/31/60/76/334316076.db2.gz YZWLAUPYXNCCAL-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC(C)(C)C#N ZINC000552317025 334316078 /nfs/dbraw/zinc/31/60/78/334316078.db2.gz YZWLAUPYXNCCAL-UHFFFAOYSA-N 1 2 271.191 3.975 20 30 CHEDLO N#CC1(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000553614954 334393475 /nfs/dbraw/zinc/39/34/75/334393475.db2.gz BXYHYHIWNCKAKY-UHFFFAOYSA-N 1 2 281.186 3.876 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccccc2)s1 ZINC000156092178 334734670 /nfs/dbraw/zinc/73/46/70/334734670.db2.gz OZNZANUKUNAAHO-UHFFFAOYSA-N 1 2 270.401 3.984 20 30 CHEDLO N#Cc1csc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000177694175 335379544 /nfs/dbraw/zinc/37/95/44/335379544.db2.gz JWNHUPZWMAXKRR-UHFFFAOYSA-N 1 2 295.367 3.565 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(Cl)cc1Cl ZINC000182034913 335795571 /nfs/dbraw/zinc/79/55/71/335795571.db2.gz RJZICEDOMQXBSU-UHFFFAOYSA-N 1 2 257.164 3.562 20 30 CHEDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356051656 534125719 /nfs/dbraw/zinc/12/57/19/534125719.db2.gz GMQWQYFWSKQEPD-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356051656 534125723 /nfs/dbraw/zinc/12/57/23/534125723.db2.gz GMQWQYFWSKQEPD-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO C=CC[N@@H+](Cc1ccnn1C(C)C)Cc1cccc(C#N)c1 ZINC000279688353 518792057 /nfs/dbraw/zinc/79/20/57/518792057.db2.gz QNAIEDCRPOPFGE-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO C=CC[N@H+](Cc1ccnn1C(C)C)Cc1cccc(C#N)c1 ZINC000279688353 518792064 /nfs/dbraw/zinc/79/20/64/518792064.db2.gz QNAIEDCRPOPFGE-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO CCC[N@H+](Cc1nccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000160792459 521694525 /nfs/dbraw/zinc/69/45/25/521694525.db2.gz ARKZYZHHGYOCRP-UHFFFAOYSA-N 1 2 296.418 3.748 20 30 CHEDLO CCC[N@@H+](Cc1nccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000160792459 521694529 /nfs/dbraw/zinc/69/45/29/521694529.db2.gz ARKZYZHHGYOCRP-UHFFFAOYSA-N 1 2 296.418 3.748 20 30 CHEDLO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000037502115 525300146 /nfs/dbraw/zinc/30/01/46/525300146.db2.gz QWHBYRQTLZLYKI-CYBMUJFWSA-N 1 2 280.375 3.953 20 30 CHEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCC3)cc2)c(F)c1 ZINC000298074599 526628273 /nfs/dbraw/zinc/62/82/73/526628273.db2.gz GDOJAJYVNXFYAV-UHFFFAOYSA-N 1 2 295.361 3.910 20 30 CHEDLO N#Cc1ccccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000081577846 526736882 /nfs/dbraw/zinc/73/68/82/526736882.db2.gz JOEJFLRHNCANHY-UHFFFAOYSA-N 1 2 283.400 3.574 20 30 CHEDLO CC(C)([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1F ZINC000352276487 527289601 /nfs/dbraw/zinc/28/96/01/527289601.db2.gz UHDQWFFFJWRQCR-UHFFFAOYSA-N 1 2 266.747 3.608 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000355451192 527645878 /nfs/dbraw/zinc/64/58/78/527645878.db2.gz UPVBGRWTSYLEHT-NSHDSACASA-N 1 2 275.377 3.533 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000353421930 527715360 /nfs/dbraw/zinc/71/53/60/527715360.db2.gz LSMLHLFSRMFKDA-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000353421930 527715364 /nfs/dbraw/zinc/71/53/64/527715364.db2.gz LSMLHLFSRMFKDA-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC1(C#N)CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000335973189 528840737 /nfs/dbraw/zinc/84/07/37/528840737.db2.gz VIFYWWLLWVQTIU-UHFFFAOYSA-N 1 2 269.323 3.504 20 30 CHEDLO CC[C@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353421078 529334491 /nfs/dbraw/zinc/33/44/91/529334491.db2.gz YAYGNMFICQVAGP-QGZVFWFLSA-N 1 2 293.414 3.991 20 30 CHEDLO CC[C@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000353421078 529334495 /nfs/dbraw/zinc/33/44/95/529334495.db2.gz YAYGNMFICQVAGP-QGZVFWFLSA-N 1 2 293.414 3.991 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000934473619 1119084868 /nfs/dbraw/zinc/08/48/68/1119084868.db2.gz XWSYHYFQFFHSBQ-GFCCVEGCSA-N 1 2 250.411 3.591 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000934473619 1119084872 /nfs/dbraw/zinc/08/48/72/1119084872.db2.gz XWSYHYFQFFHSBQ-GFCCVEGCSA-N 1 2 250.411 3.591 20 30 CHEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000127331121 1125177994 /nfs/dbraw/zinc/17/79/94/1125177994.db2.gz WFRBNFPAGNVWIT-LLVKDONJSA-N 1 2 269.797 3.538 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600837 1131821605 /nfs/dbraw/zinc/82/16/05/1131821605.db2.gz XBWUPTWCQDFHPL-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C=CCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000348315925 1125538090 /nfs/dbraw/zinc/53/80/90/1125538090.db2.gz MFHFQTACJBIMDL-HNNXBMFYSA-N 1 2 282.391 3.575 20 30 CHEDLO C=CCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000348315925 1125538097 /nfs/dbraw/zinc/53/80/97/1125538097.db2.gz MFHFQTACJBIMDL-HNNXBMFYSA-N 1 2 282.391 3.575 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C#N)CCC#N ZINC000121001545 1125556426 /nfs/dbraw/zinc/55/64/26/1125556426.db2.gz IKTZIIUKQHRITR-GFCCVEGCSA-N 1 2 296.201 3.869 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C#N)CCC#N ZINC000121001545 1125556434 /nfs/dbraw/zinc/55/64/34/1125556434.db2.gz IKTZIIUKQHRITR-GFCCVEGCSA-N 1 2 296.201 3.869 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000136410068 1125631778 /nfs/dbraw/zinc/63/17/78/1125631778.db2.gz UECZVALJQNDATH-UHFFFAOYSA-N 1 2 292.810 3.647 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000136410068 1125631781 /nfs/dbraw/zinc/63/17/81/1125631781.db2.gz UECZVALJQNDATH-UHFFFAOYSA-N 1 2 292.810 3.647 20 30 CHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1C ZINC000162254988 1125743882 /nfs/dbraw/zinc/74/38/82/1125743882.db2.gz QRHBRKDJGNFIHH-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO Cc1ccc(C)c(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162259053 1125746789 /nfs/dbraw/zinc/74/67/89/1125746789.db2.gz UDBKFOAIJHWWBT-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO C[C@@H]1CCC[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799551 1125762674 /nfs/dbraw/zinc/76/26/74/1125762674.db2.gz NJQKTJNKWPRFPU-HZPDHXFCSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@@H]1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799551 1125762681 /nfs/dbraw/zinc/76/26/81/1125762681.db2.gz NJQKTJNKWPRFPU-HZPDHXFCSA-N 1 2 271.408 3.624 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC[C@H]1CCCO1 ZINC000887270638 1125781192 /nfs/dbraw/zinc/78/11/92/1125781192.db2.gz QLBRXQGPXKFRGH-CRRKTRLDSA-N 1 2 269.344 3.533 20 30 CHEDLO C=CCC[NH2+][C@@H](c1ccc(Br)cc1)C(F)F ZINC000621764673 1129191020 /nfs/dbraw/zinc/19/10/20/1129191020.db2.gz KRSPDZOMQINPFI-NSHDSACASA-N 1 2 290.151 3.921 20 30 CHEDLO N#Cc1cc(-c2cc[nH+]c(N3CCCC3)c2)ccc1Cl ZINC001240400586 1126727602 /nfs/dbraw/zinc/72/76/02/1126727602.db2.gz IVIFXFCMYYIDTE-UHFFFAOYSA-N 1 2 283.762 3.874 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338331817 1126735196 /nfs/dbraw/zinc/73/51/96/1126735196.db2.gz YKAXZTXVFSSALZ-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338331817 1126735198 /nfs/dbraw/zinc/73/51/98/1126735198.db2.gz YKAXZTXVFSSALZ-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000338343382 1126735538 /nfs/dbraw/zinc/73/55/38/1126735538.db2.gz BJMHFRDNHUACNP-LBPRGKRZSA-N 1 2 254.333 3.557 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000338343382 1126735540 /nfs/dbraw/zinc/73/55/40/1126735540.db2.gz BJMHFRDNHUACNP-LBPRGKRZSA-N 1 2 254.333 3.557 20 30 CHEDLO CC(C)Oc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338354708 1126736669 /nfs/dbraw/zinc/73/66/69/1126736669.db2.gz UWBCIMBSCJNNDQ-AWEZNQCLSA-N 1 2 272.392 3.598 20 30 CHEDLO CC(C)Oc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338354708 1126736672 /nfs/dbraw/zinc/73/66/72/1126736672.db2.gz UWBCIMBSCJNNDQ-AWEZNQCLSA-N 1 2 272.392 3.598 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000483072764 1126766701 /nfs/dbraw/zinc/76/67/01/1126766701.db2.gz WJHREIFMOVFGNN-UGSOOPFHSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000483072764 1126766704 /nfs/dbraw/zinc/76/67/04/1126766704.db2.gz WJHREIFMOVFGNN-UGSOOPFHSA-N 1 2 280.346 3.890 20 30 CHEDLO COc1cccc(CCC[N@H+](CCC#N)Cc2ccco2)c1 ZINC000176290327 1126789113 /nfs/dbraw/zinc/78/91/13/1126789113.db2.gz CUDHANICDZCZEC-UHFFFAOYSA-N 1 2 298.386 3.637 20 30 CHEDLO COc1cccc(CCC[N@@H+](CCC#N)Cc2ccco2)c1 ZINC000176290327 1126789118 /nfs/dbraw/zinc/78/91/18/1126789118.db2.gz CUDHANICDZCZEC-UHFFFAOYSA-N 1 2 298.386 3.637 20 30 CHEDLO C[C@@H](C[N@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000176359021 1126789882 /nfs/dbraw/zinc/78/98/82/1126789882.db2.gz ORKUSEQSSUHGCU-INIZCTEOSA-N 1 2 279.387 3.601 20 30 CHEDLO C[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000176359021 1126789886 /nfs/dbraw/zinc/78/98/86/1126789886.db2.gz ORKUSEQSSUHGCU-INIZCTEOSA-N 1 2 279.387 3.601 20 30 CHEDLO C[C@@H]1CCC[C@@H](C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360277 1126826988 /nfs/dbraw/zinc/82/69/88/1126826988.db2.gz IGUBHGRGDVNPPZ-HZPDHXFCSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@@H]1CCC[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360277 1126826990 /nfs/dbraw/zinc/82/69/90/1126826990.db2.gz IGUBHGRGDVNPPZ-HZPDHXFCSA-N 1 2 271.408 3.624 20 30 CHEDLO Cc1ccc(CCC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000181958707 1126863318 /nfs/dbraw/zinc/86/33/18/1126863318.db2.gz ZFGDKYOAUGGJRH-UHFFFAOYSA-N 1 2 293.414 3.739 20 30 CHEDLO Cc1ccc(CCC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000181958707 1126863321 /nfs/dbraw/zinc/86/33/21/1126863321.db2.gz ZFGDKYOAUGGJRH-UHFFFAOYSA-N 1 2 293.414 3.739 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(F)c(F)c1 ZINC000186455470 1126906632 /nfs/dbraw/zinc/90/66/32/1126906632.db2.gz ROBHZRRAHWHAOB-ZBEGNZNMSA-N 1 2 289.329 3.723 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000187360805 1126910099 /nfs/dbraw/zinc/91/00/99/1126910099.db2.gz PXCRXTBEBNYZIZ-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000187360805 1126910101 /nfs/dbraw/zinc/91/01/01/1126910101.db2.gz PXCRXTBEBNYZIZ-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000192238760 1126959233 /nfs/dbraw/zinc/95/92/33/1126959233.db2.gz DEUYCUYRPWDHOS-LBPRGKRZSA-N 1 2 288.778 3.929 20 30 CHEDLO C#CC[N@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000192238760 1126959235 /nfs/dbraw/zinc/95/92/35/1126959235.db2.gz DEUYCUYRPWDHOS-LBPRGKRZSA-N 1 2 288.778 3.929 20 30 CHEDLO CC(C)c1ccc(C[NH+]2CCC(C#N)CC2)c(Cl)n1 ZINC001238725907 1131239218 /nfs/dbraw/zinc/23/92/18/1131239218.db2.gz SLOMGFNURVUYQT-UHFFFAOYSA-N 1 2 277.799 3.594 20 30 CHEDLO CC[N@H+](Cc1nccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000269698546 1127044940 /nfs/dbraw/zinc/04/49/40/1127044940.db2.gz XZDKLXHCPVUMNI-LBPRGKRZSA-N 1 2 271.389 3.598 20 30 CHEDLO CC[N@@H+](Cc1nccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000269698546 1127044943 /nfs/dbraw/zinc/04/49/43/1127044943.db2.gz XZDKLXHCPVUMNI-LBPRGKRZSA-N 1 2 271.389 3.598 20 30 CHEDLO NC(=[NH+]OCc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000029465037 1127124082 /nfs/dbraw/zinc/12/40/82/1127124082.db2.gz YGYOHABIDLEDLM-UHFFFAOYSA-N 1 2 295.169 3.831 20 30 CHEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000349565458 1127154292 /nfs/dbraw/zinc/15/42/92/1127154292.db2.gz OIIMWMURRNQFQF-UHFFFAOYSA-N 1 2 294.807 3.651 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cccc(C)c1OC ZINC001237512229 1131107857 /nfs/dbraw/zinc/10/78/57/1131107857.db2.gz YSWUHGWKNLWSFV-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000589173322 1127213784 /nfs/dbraw/zinc/21/37/84/1127213784.db2.gz XBMOSHLBYBPFLN-ZENLRNHISA-N 1 2 276.330 3.604 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000589173322 1127213786 /nfs/dbraw/zinc/21/37/86/1127213786.db2.gz XBMOSHLBYBPFLN-ZENLRNHISA-N 1 2 276.330 3.604 20 30 CHEDLO CC[C@](C)([NH2+]Cc1cccc(C#N)c1F)c1nccs1 ZINC000352892327 1127248937 /nfs/dbraw/zinc/24/89/37/1127248937.db2.gz JSEHPDUEPSQDJQ-HNNXBMFYSA-N 1 2 289.379 3.569 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)cn1 ZINC000352913335 1127250358 /nfs/dbraw/zinc/25/03/58/1127250358.db2.gz GZKZSLGMEANJKN-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)cn1 ZINC000352913335 1127250361 /nfs/dbraw/zinc/25/03/61/1127250361.db2.gz GZKZSLGMEANJKN-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO Cc1cc(C)c(CNc2nc(C(C)(C)C)ccc2C#N)c[nH+]1 ZINC000590737092 1127271293 /nfs/dbraw/zinc/27/12/93/1127271293.db2.gz NFPSJYLUNYGCTE-UHFFFAOYSA-N 1 2 294.402 3.875 20 30 CHEDLO CC(C)(CC#N)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000591367964 1127299803 /nfs/dbraw/zinc/29/98/03/1127299803.db2.gz FRQGKXXKCJDZHU-UHFFFAOYSA-N 1 2 297.337 3.602 20 30 CHEDLO CCc1ccc(C[N@H+](Cc2ccncc2C#N)C2CC2)cc1 ZINC000592059707 1127333797 /nfs/dbraw/zinc/33/37/97/1127333797.db2.gz SBABWMILDWMXND-UHFFFAOYSA-N 1 2 291.398 3.680 20 30 CHEDLO CCc1ccc(C[N@@H+](Cc2ccncc2C#N)C2CC2)cc1 ZINC000592059707 1127333803 /nfs/dbraw/zinc/33/38/03/1127333803.db2.gz SBABWMILDWMXND-UHFFFAOYSA-N 1 2 291.398 3.680 20 30 CHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072381 1127334107 /nfs/dbraw/zinc/33/41/07/1127334107.db2.gz JLFMAVXDCCVBTG-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072381 1127334112 /nfs/dbraw/zinc/33/41/12/1127334112.db2.gz JLFMAVXDCCVBTG-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO CC[N@H+](Cc1ccncc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000592063800 1127334575 /nfs/dbraw/zinc/33/45/75/1127334575.db2.gz JDQDEFDSXOLDFU-ZDUSSCGKSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000592063800 1127334576 /nfs/dbraw/zinc/33/45/76/1127334576.db2.gz JDQDEFDSXOLDFU-ZDUSSCGKSA-N 1 2 283.350 3.675 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000355445072 1127342414 /nfs/dbraw/zinc/34/24/14/1127342414.db2.gz GYWSMDVKJDUFPO-CQSZACIVSA-N 1 2 283.375 3.780 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCC[C@@H]2CCCCO2)c(O)c1 ZINC000761016176 1127382315 /nfs/dbraw/zinc/38/23/15/1127382315.db2.gz VGKDBJLDSUYLNP-LUJRCDHRSA-N 1 2 291.391 3.559 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccco1 ZINC000289623262 1127384474 /nfs/dbraw/zinc/38/44/74/1127384474.db2.gz DRGZSAPYQOJESO-CYBMUJFWSA-N 1 2 292.404 3.680 20 30 CHEDLO N#CC1(C[NH2+]Cc2c(F)cccc2Cl)CCCC1 ZINC000593649432 1127393221 /nfs/dbraw/zinc/39/32/21/1127393221.db2.gz CREWGQWKDCIERJ-UHFFFAOYSA-N 1 2 266.747 3.653 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000593978147 1127401690 /nfs/dbraw/zinc/40/16/90/1127401690.db2.gz YPMMUQMGBKQVTP-MRXNPFEDSA-N 1 2 278.346 3.523 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000593978147 1127401691 /nfs/dbraw/zinc/40/16/91/1127401691.db2.gz YPMMUQMGBKQVTP-MRXNPFEDSA-N 1 2 278.346 3.523 20 30 CHEDLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358587498 1127428240 /nfs/dbraw/zinc/42/82/40/1127428240.db2.gz KLIMNPZOOYOSRM-UWVGGRQHSA-N 1 2 289.379 3.874 20 30 CHEDLO Cc1c[nH+]c(C)c(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594741764 1127431120 /nfs/dbraw/zinc/43/11/20/1127431120.db2.gz DKAJOOXCJXPWIZ-UHFFFAOYSA-N 1 2 277.371 3.866 20 30 CHEDLO Cc1ccc(CSc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000358889361 1127437875 /nfs/dbraw/zinc/43/78/75/1127437875.db2.gz UOFFSTWSEDNPKM-UHFFFAOYSA-N 1 2 254.358 3.862 20 30 CHEDLO CSc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000595425745 1127462523 /nfs/dbraw/zinc/46/25/23/1127462523.db2.gz MBJHFBGKADPGPR-HNNXBMFYSA-N 1 2 260.406 3.534 20 30 CHEDLO CSc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000595425745 1127462525 /nfs/dbraw/zinc/46/25/25/1127462525.db2.gz MBJHFBGKADPGPR-HNNXBMFYSA-N 1 2 260.406 3.534 20 30 CHEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613345 1127469949 /nfs/dbraw/zinc/46/99/49/1127469949.db2.gz BILSIFOWJCOOED-STQMWFEESA-N 1 2 275.396 3.659 20 30 CHEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613345 1127469951 /nfs/dbraw/zinc/46/99/51/1127469951.db2.gz BILSIFOWJCOOED-STQMWFEESA-N 1 2 275.396 3.659 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000595614636 1127471090 /nfs/dbraw/zinc/47/10/90/1127471090.db2.gz LVJPERZBSKVABX-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000595614636 1127471093 /nfs/dbraw/zinc/47/10/93/1127471093.db2.gz LVJPERZBSKVABX-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc1 ZINC000595676563 1127472847 /nfs/dbraw/zinc/47/28/47/1127472847.db2.gz PPGTWEVPSJOUEA-KRWDZBQOSA-N 1 2 293.370 3.664 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)nc1 ZINC000595676563 1127472850 /nfs/dbraw/zinc/47/28/50/1127472850.db2.gz PPGTWEVPSJOUEA-KRWDZBQOSA-N 1 2 293.370 3.664 20 30 CHEDLO Cc1ccccc1[C@@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120312 1127475299 /nfs/dbraw/zinc/47/52/99/1127475299.db2.gz OJYCMTZWJWCPQT-CQSZACIVSA-N 1 2 262.356 3.944 20 30 CHEDLO Cc1ccccc1[C@@H](C)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120312 1127475300 /nfs/dbraw/zinc/47/53/00/1127475300.db2.gz OJYCMTZWJWCPQT-CQSZACIVSA-N 1 2 262.356 3.944 20 30 CHEDLO CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H](C)C#N ZINC000595812294 1127475987 /nfs/dbraw/zinc/47/59/87/1127475987.db2.gz DNNJHSUURGHEKD-LBPRGKRZSA-N 1 2 284.325 3.872 20 30 CHEDLO CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H](C)C#N ZINC000595812294 1127475990 /nfs/dbraw/zinc/47/59/90/1127475990.db2.gz DNNJHSUURGHEKD-LBPRGKRZSA-N 1 2 284.325 3.872 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000602005247 1127556745 /nfs/dbraw/zinc/55/67/45/1127556745.db2.gz PGBRVXKERFBTNJ-FZMZJTMJSA-N 1 2 284.334 3.704 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981986 1127624117 /nfs/dbraw/zinc/62/41/17/1127624117.db2.gz MCYNKASYXITTOJ-PBHICJAKSA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981986 1127624119 /nfs/dbraw/zinc/62/41/19/1127624119.db2.gz MCYNKASYXITTOJ-PBHICJAKSA-N 1 2 271.408 3.638 20 30 CHEDLO C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602981972 1127624283 /nfs/dbraw/zinc/62/42/83/1127624283.db2.gz LXKSOTCPJRRZPH-RISCZKNCSA-N 1 2 298.308 3.535 20 30 CHEDLO C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602981972 1127624286 /nfs/dbraw/zinc/62/42/86/1127624286.db2.gz LXKSOTCPJRRZPH-RISCZKNCSA-N 1 2 298.308 3.535 20 30 CHEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284025 1127625077 /nfs/dbraw/zinc/62/50/77/1127625077.db2.gz KLCXAUCZWUZUKH-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284025 1127625081 /nfs/dbraw/zinc/62/50/81/1127625081.db2.gz KLCXAUCZWUZUKH-SCLBCKFNSA-N 1 2 295.361 3.675 20 30 CHEDLO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[C@H]1C#N ZINC000602976234 1127625158 /nfs/dbraw/zinc/62/51/58/1127625158.db2.gz NBQWFKKBMDTZLL-GUYCJALGSA-N 1 2 299.349 3.605 20 30 CHEDLO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCC[C@H]1C#N ZINC000602976234 1127625162 /nfs/dbraw/zinc/62/51/62/1127625162.db2.gz NBQWFKKBMDTZLL-GUYCJALGSA-N 1 2 299.349 3.605 20 30 CHEDLO CCCc1ccc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000598718159 1127633386 /nfs/dbraw/zinc/63/33/86/1127633386.db2.gz SGVPXCKLMWIXMD-UHFFFAOYSA-N 1 2 271.389 3.774 20 30 CHEDLO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000599072050 1127655409 /nfs/dbraw/zinc/65/54/09/1127655409.db2.gz XBNHMDUDNKWNPG-OAGGEKHMSA-N 1 2 292.373 3.925 20 30 CHEDLO Cc1cccc(C[N@@H+]2Cc3cccc(C#N)c3C2)c1C ZINC000593698679 1127661300 /nfs/dbraw/zinc/66/13/00/1127661300.db2.gz VPPPVLAQHFTKCN-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1cccc(C[N@H+]2Cc3cccc(C#N)c3C2)c1C ZINC000593698679 1127661301 /nfs/dbraw/zinc/66/13/01/1127661301.db2.gz VPPPVLAQHFTKCN-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000606902728 1127781220 /nfs/dbraw/zinc/78/12/20/1127781220.db2.gz YHKVMOJBWUWMHX-UHFFFAOYSA-N 1 2 285.391 3.915 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000606902728 1127781223 /nfs/dbraw/zinc/78/12/23/1127781223.db2.gz YHKVMOJBWUWMHX-UHFFFAOYSA-N 1 2 285.391 3.915 20 30 CHEDLO CC[C@@H](C[N@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000539826172 1127943978 /nfs/dbraw/zinc/94/39/78/1127943978.db2.gz BJRIVJPKLXMHHV-HNNXBMFYSA-N 1 2 256.393 3.948 20 30 CHEDLO CC[C@@H](C[N@@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000539826172 1127943979 /nfs/dbraw/zinc/94/39/79/1127943979.db2.gz BJRIVJPKLXMHHV-HNNXBMFYSA-N 1 2 256.393 3.948 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)C1CC1 ZINC000540056753 1127959445 /nfs/dbraw/zinc/95/94/45/1127959445.db2.gz JWWJXMUZWFZNQK-UHFFFAOYSA-N 1 2 268.360 3.800 20 30 CHEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2C)o1)C1CC1 ZINC000540056753 1127959450 /nfs/dbraw/zinc/95/94/50/1127959450.db2.gz JWWJXMUZWFZNQK-UHFFFAOYSA-N 1 2 268.360 3.800 20 30 CHEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccccc2C#N)s1 ZINC000171588935 1128065431 /nfs/dbraw/zinc/06/54/31/1128065431.db2.gz DFURTFGXCDEPME-GFCCVEGCSA-N 1 2 285.416 3.825 20 30 CHEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccccc2C#N)s1 ZINC000171588935 1128065434 /nfs/dbraw/zinc/06/54/34/1128065434.db2.gz DFURTFGXCDEPME-GFCCVEGCSA-N 1 2 285.416 3.825 20 30 CHEDLO CCc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000929756636 1128079552 /nfs/dbraw/zinc/07/95/52/1128079552.db2.gz IIOHRJFGDOELRS-IRXDYDNUSA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000929756636 1128079556 /nfs/dbraw/zinc/07/95/56/1128079556.db2.gz IIOHRJFGDOELRS-IRXDYDNUSA-N 1 2 295.386 3.509 20 30 CHEDLO CCS[C@@H]1CCC[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000176413634 1128087740 /nfs/dbraw/zinc/08/77/40/1128087740.db2.gz NTAOGBVMDBFOOT-DWSHKFMRSA-N 1 2 263.406 3.875 20 30 CHEDLO CC[C@H]([NH2+]Cc1cccc(C)c1)c1cccc(C#N)c1O ZINC000924597341 1128106552 /nfs/dbraw/zinc/10/65/52/1128106552.db2.gz ISDQRJAKYTZZTG-KRWDZBQOSA-N 1 2 280.371 3.813 20 30 CHEDLO CC[C@H](Nc1ccc([NH+](C)C)cc1)c1cccc(C#N)c1O ZINC000926028757 1128150522 /nfs/dbraw/zinc/15/05/22/1128150522.db2.gz VCZKLUAJFDJRBP-KRWDZBQOSA-N 1 2 295.386 3.893 20 30 CHEDLO C[C@H](CC(C)(C)C#N)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000926050552 1128150913 /nfs/dbraw/zinc/15/09/13/1128150913.db2.gz BLZQLGJHVYDDHJ-CYBMUJFWSA-N 1 2 268.364 3.613 20 30 CHEDLO CC(C)[C@H](C/[NH+]=C\c1cccc(O)c1O)c1ccccc1 ZINC000915112805 1128284623 /nfs/dbraw/zinc/28/46/23/1128284623.db2.gz GXTKYRXPIAXLOM-YLRSXTQRSA-N 1 2 283.371 3.957 20 30 CHEDLO CCc1cnc(C[N@H+](C)Cc2c(C)cc(C#N)cc2C)s1 ZINC000929775046 1128286538 /nfs/dbraw/zinc/28/65/38/1128286538.db2.gz YEOBQARRHUVERJ-UHFFFAOYSA-N 1 2 299.443 3.826 20 30 CHEDLO CCc1cnc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)s1 ZINC000929775046 1128286540 /nfs/dbraw/zinc/28/65/40/1128286540.db2.gz YEOBQARRHUVERJ-UHFFFAOYSA-N 1 2 299.443 3.826 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2csc(Cl)c2Cl)nc1 ZINC000762455530 1128301281 /nfs/dbraw/zinc/30/12/81/1128301281.db2.gz LDXUBYOPPAQITN-UHFFFAOYSA-N 1 2 298.198 3.611 20 30 CHEDLO C=C[C@H](CC)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000931271112 1128354937 /nfs/dbraw/zinc/35/49/37/1128354937.db2.gz YKNAZOUNECCCSV-GFCCVEGCSA-N 1 2 269.348 3.618 20 30 CHEDLO CCSc1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932151589 1128396997 /nfs/dbraw/zinc/39/69/97/1128396997.db2.gz ZPPHGKPDQKRBKR-ZDUSSCGKSA-N 1 2 260.406 3.534 20 30 CHEDLO CCSc1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932151589 1128397000 /nfs/dbraw/zinc/39/70/00/1128397000.db2.gz ZPPHGKPDQKRBKR-ZDUSSCGKSA-N 1 2 260.406 3.534 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000066215724 1128471908 /nfs/dbraw/zinc/47/19/08/1128471908.db2.gz CFXBYOWILSLYSL-UHFFFAOYSA-N 1 2 299.201 3.606 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2cc(C)c(C)cc2o1 ZINC000127646796 1128480973 /nfs/dbraw/zinc/48/09/73/1128480973.db2.gz WUQALMBGDFFVTA-UHFFFAOYSA-N 1 2 256.349 3.785 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2cc(C)c(C)cc2o1 ZINC000127646796 1128480976 /nfs/dbraw/zinc/48/09/76/1128480976.db2.gz WUQALMBGDFFVTA-UHFFFAOYSA-N 1 2 256.349 3.785 20 30 CHEDLO COc1cccc(/C=[NH+]/CCCC2CCCC2)c1O ZINC000918155553 1128537925 /nfs/dbraw/zinc/53/79/25/1128537925.db2.gz URPPEAIJCSURSP-SFQUDFHCSA-N 1 2 261.365 3.790 20 30 CHEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000037502114 1128584115 /nfs/dbraw/zinc/58/41/15/1128584115.db2.gz QWHBYRQTLZLYKI-ZDUSSCGKSA-N 1 2 280.375 3.953 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCC[C@H](C)C2)c1O ZINC000920175538 1128670930 /nfs/dbraw/zinc/67/09/30/1128670930.db2.gz WYAUSKUTGGAMAJ-JHBBZFSESA-N 1 2 261.365 3.646 20 30 CHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc(F)c2)s1 ZINC000920383579 1128679212 /nfs/dbraw/zinc/67/92/12/1128679212.db2.gz GZQZGFQPBQHQOR-UHFFFAOYSA-N 1 2 292.383 3.574 20 30 CHEDLO CC(=[NH+]Nc1cccc(Cl)c1F)c1ccc(N)cc1 ZINC000921137771 1128700838 /nfs/dbraw/zinc/70/08/38/1128700838.db2.gz KTRREZYXVISURJ-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO Cn1c[nH+]c2cc(Nc3ccc(C4(C#N)CC4)cc3)ccc21 ZINC001212257688 1128713943 /nfs/dbraw/zinc/71/39/43/1128713943.db2.gz FRBUWANDJUCVNT-UHFFFAOYSA-N 1 2 288.354 3.872 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(C(C)(C)C#N)nc2)c[nH+]1 ZINC001213505539 1117817708 /nfs/dbraw/zinc/81/77/08/1117817708.db2.gz IKDISVHQQIWBOH-UHFFFAOYSA-N 1 2 266.348 3.638 20 30 CHEDLO C[N@H+](Cc1csc(Br)c1)[C@H]1CCC[C@@H]1C#N ZINC000042362216 1117836146 /nfs/dbraw/zinc/83/61/46/1117836146.db2.gz RTAFSCCLZXSBHR-MNOVXSKESA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1csc(Br)c1)[C@H]1CCC[C@@H]1C#N ZINC000042362216 1117836154 /nfs/dbraw/zinc/83/61/54/1117836154.db2.gz RTAFSCCLZXSBHR-MNOVXSKESA-N 1 2 299.237 3.635 20 30 CHEDLO COc1ccc([C@@H](C)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000180361030 1117928349 /nfs/dbraw/zinc/92/83/49/1117928349.db2.gz KGGGJPIZIOXBLO-AWEZNQCLSA-N 1 2 272.392 3.567 20 30 CHEDLO COc1ccc([C@@H](C)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000180361030 1117928355 /nfs/dbraw/zinc/92/83/55/1117928355.db2.gz KGGGJPIZIOXBLO-AWEZNQCLSA-N 1 2 272.392 3.567 20 30 CHEDLO Cc1ccc2[nH+]c(CSc3ccc(C#N)cc3)cn2c1 ZINC000069271748 1117932285 /nfs/dbraw/zinc/93/22/85/1117932285.db2.gz BQAYMHYPMGHWGB-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO C=CC(C)(C)CC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000624037029 1117973719 /nfs/dbraw/zinc/97/37/19/1117973719.db2.gz JIKOAEAAPGYXFC-CQSZACIVSA-N 1 2 276.428 3.618 20 30 CHEDLO CC[N@@H+](CCC#N)CCOc1cccc(C(C)(C)C)c1 ZINC000471211205 1117978534 /nfs/dbraw/zinc/97/85/34/1117978534.db2.gz OOKYHPMJVIDRDO-UHFFFAOYSA-N 1 2 274.408 3.598 20 30 CHEDLO CC[N@H+](CCC#N)CCOc1cccc(C(C)(C)C)c1 ZINC000471211205 1117978539 /nfs/dbraw/zinc/97/85/39/1117978539.db2.gz OOKYHPMJVIDRDO-UHFFFAOYSA-N 1 2 274.408 3.598 20 30 CHEDLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(C#N)cc1 ZINC000579448295 1128748412 /nfs/dbraw/zinc/74/84/12/1128748412.db2.gz GOJHEUKCGJWTOT-CQSZACIVSA-N 1 2 298.415 3.528 20 30 CHEDLO C[C@@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1ccco1 ZINC000182027453 1118011335 /nfs/dbraw/zinc/01/13/35/1118011335.db2.gz WXDGQFQVNKCAGN-INIZCTEOSA-N 1 2 282.387 3.874 20 30 CHEDLO C[C@@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1ccco1 ZINC000182027453 1118011339 /nfs/dbraw/zinc/01/13/39/1118011339.db2.gz WXDGQFQVNKCAGN-INIZCTEOSA-N 1 2 282.387 3.874 20 30 CHEDLO COc1ccc([C@H](C)C[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000183497838 1118046323 /nfs/dbraw/zinc/04/63/23/1118046323.db2.gz RYBFWDQYWIRCTN-OAHLLOKOSA-N 1 2 298.386 3.808 20 30 CHEDLO COc1ccc([C@H](C)C[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000183497838 1118046326 /nfs/dbraw/zinc/04/63/26/1118046326.db2.gz RYBFWDQYWIRCTN-OAHLLOKOSA-N 1 2 298.386 3.808 20 30 CHEDLO Cc1cccc(CN[NH+]=Cc2ccc(N3CCCCC3)o2)c1 ZINC000764715576 1118109100 /nfs/dbraw/zinc/10/91/00/1118109100.db2.gz QOKCRZDFLDKUSK-UHFFFAOYSA-N 1 2 297.402 3.702 20 30 CHEDLO Cc1cc(Nc2ccc(C#N)c(C#N)c2)ccc1[NH+](C)C ZINC001210043694 1118143104 /nfs/dbraw/zinc/14/31/04/1118143104.db2.gz QMSBEJLXEFDAQY-UHFFFAOYSA-N 1 2 276.343 3.548 20 30 CHEDLO Cc1[nH+]cc(Nc2cc(C(F)(F)F)ccc2C#N)cc1N ZINC001210289977 1118236498 /nfs/dbraw/zinc/23/64/98/1118236498.db2.gz CRBPZVSFJBJVMA-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000047979392 1118412113 /nfs/dbraw/zinc/41/21/13/1118412113.db2.gz GYDAMZSIAKZKLV-SECBINFHSA-N 1 2 257.164 3.585 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000047979392 1118412115 /nfs/dbraw/zinc/41/21/15/1118412115.db2.gz GYDAMZSIAKZKLV-SECBINFHSA-N 1 2 257.164 3.585 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1c[nH]c2ccccc21 ZINC000180311824 1128785837 /nfs/dbraw/zinc/78/58/37/1128785837.db2.gz RECPTPJMHSKNQZ-CMDGGOBGSA-N 1 2 287.322 3.712 20 30 CHEDLO Cc1cc(C)c(NC(=O)/C=C\c2ccccc2C#N)c(C)[nH+]1 ZINC000255334753 1118642825 /nfs/dbraw/zinc/64/28/25/1118642825.db2.gz FTEFEGSYEPCCGT-HJWRWDBZSA-N 1 2 291.354 3.530 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H](C)c1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000926205567 1118731703 /nfs/dbraw/zinc/73/17/03/1118731703.db2.gz GBKQTJRYTNSNSP-BZNIZROVSA-N 1 2 291.345 3.666 20 30 CHEDLO CCC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000834998341 1118742228 /nfs/dbraw/zinc/74/22/28/1118742228.db2.gz FYJUCWYYMHCJLU-ZETCQYMHSA-N 1 2 293.720 3.577 20 30 CHEDLO N#CCC1(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000430750179 1118766536 /nfs/dbraw/zinc/76/65/36/1118766536.db2.gz MRMZLIWDMTWQRA-CQSZACIVSA-N 1 2 278.346 3.536 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCc2sccc2C1 ZINC000610728711 1118844359 /nfs/dbraw/zinc/84/43/59/1118844359.db2.gz JMHDSQDHNYKCAB-UHFFFAOYSA-N 1 2 286.375 3.707 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCc2sccc2C1 ZINC000610728711 1118844363 /nfs/dbraw/zinc/84/43/63/1118844363.db2.gz JMHDSQDHNYKCAB-UHFFFAOYSA-N 1 2 286.375 3.707 20 30 CHEDLO CCc1ccc(C2=CC[N@H+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000093262967 1118859021 /nfs/dbraw/zinc/85/90/21/1118859021.db2.gz UAZBWETVBYCPIF-KRWDZBQOSA-N 1 2 293.414 3.782 20 30 CHEDLO CCc1ccc(C2=CC[N@@H+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000093262967 1118859028 /nfs/dbraw/zinc/85/90/28/1118859028.db2.gz UAZBWETVBYCPIF-KRWDZBQOSA-N 1 2 293.414 3.782 20 30 CHEDLO CCO[C@@H](CC/[NH+]=C/c1ccccc1O)C1CCCC1 ZINC000176323052 1118920552 /nfs/dbraw/zinc/92/05/52/1118920552.db2.gz LKWOKGLKZVFZCF-NAVNFMRLSA-N 1 2 275.392 3.797 20 30 CHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892202059 1119022351 /nfs/dbraw/zinc/02/23/51/1119022351.db2.gz PCQMXLWBTJWGBR-SJORKVTESA-N 1 2 296.370 3.560 20 30 CHEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892202059 1119022353 /nfs/dbraw/zinc/02/23/53/1119022353.db2.gz PCQMXLWBTJWGBR-SJORKVTESA-N 1 2 296.370 3.560 20 30 CHEDLO N#CC1(C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000511106151 1119063274 /nfs/dbraw/zinc/06/32/74/1119063274.db2.gz KZOBXANGCNXUAB-UHFFFAOYSA-N 1 2 292.785 3.995 20 30 CHEDLO N#CC1(C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000511106151 1119063277 /nfs/dbraw/zinc/06/32/77/1119063277.db2.gz KZOBXANGCNXUAB-UHFFFAOYSA-N 1 2 292.785 3.995 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000127505877 1119063929 /nfs/dbraw/zinc/06/39/29/1119063929.db2.gz XGQYOWJSCZYPRN-RYUDHWBXSA-N 1 2 298.390 3.651 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000158400695 1119095708 /nfs/dbraw/zinc/09/57/08/1119095708.db2.gz APALOURKRBXLQX-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000158400695 1119095712 /nfs/dbraw/zinc/09/57/12/1119095712.db2.gz APALOURKRBXLQX-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)c(C)s1 ZINC000255512193 1119112548 /nfs/dbraw/zinc/11/25/48/1119112548.db2.gz OQPCHUSDKBMUBX-SREVYHEPSA-N 1 2 282.368 3.909 20 30 CHEDLO C=CC[N@H+](CC#CC)Cc1cc(Br)ccc1F ZINC000525633121 1119274034 /nfs/dbraw/zinc/27/40/34/1119274034.db2.gz LKWMJZOKZDNLHV-UHFFFAOYSA-N 1 2 296.183 3.600 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052045913 1119272522 /nfs/dbraw/zinc/27/25/22/1119272522.db2.gz GYDMDQZXJGPNFT-UHFFFAOYSA-N 1 2 268.282 3.583 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000052045913 1119272525 /nfs/dbraw/zinc/27/25/25/1119272525.db2.gz GYDMDQZXJGPNFT-UHFFFAOYSA-N 1 2 268.282 3.583 20 30 CHEDLO C=CC[N@@H+](CC#CC)Cc1cc(Br)ccc1F ZINC000525633121 1119274032 /nfs/dbraw/zinc/27/40/32/1119274032.db2.gz LKWMJZOKZDNLHV-UHFFFAOYSA-N 1 2 296.183 3.600 20 30 CHEDLO Cc1[nH]c(/C=C2/C(=O)c3ccccc3C2(C)C)[nH+]c1C ZINC000901464528 1128834867 /nfs/dbraw/zinc/83/48/67/1128834867.db2.gz KPDTZRNSFQUQNE-ZROIWOOFSA-N 1 2 266.344 3.584 20 30 CHEDLO CCCCCCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728541601 1119288497 /nfs/dbraw/zinc/28/84/97/1119288497.db2.gz IEMVTOBVHIJQJD-MRXNPFEDSA-N 1 2 291.439 3.797 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000161754975 1119372080 /nfs/dbraw/zinc/37/20/80/1119372080.db2.gz DULCVYBFVDAUFE-SECBINFHSA-N 1 2 252.770 3.699 20 30 CHEDLO Cc1cnc([C@@H]([NH2+]Cc2ccccc2C#N)C2CC2)s1 ZINC000179093507 1119547303 /nfs/dbraw/zinc/54/73/03/1119547303.db2.gz IWGIQPVYKBJSSG-HNNXBMFYSA-N 1 2 283.400 3.564 20 30 CHEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000472348987 1119656238 /nfs/dbraw/zinc/65/62/38/1119656238.db2.gz NGPJPIVPUPSPLB-GOSISDBHSA-N 1 2 297.377 3.763 20 30 CHEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000472348987 1119656241 /nfs/dbraw/zinc/65/62/41/1119656241.db2.gz NGPJPIVPUPSPLB-GOSISDBHSA-N 1 2 297.377 3.763 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3cccs3)c[nH+]c12 ZINC000255630314 1119666561 /nfs/dbraw/zinc/66/65/61/1119666561.db2.gz VKZBYKDSWAGGSA-SREVYHEPSA-N 1 2 268.341 3.600 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)s1 ZINC000255662468 1119699953 /nfs/dbraw/zinc/69/99/53/1119699953.db2.gz MHOZAIWLMHHXKP-SREVYHEPSA-N 1 2 268.341 3.600 20 30 CHEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(N)cc1Cl ZINC000782902021 1120064807 /nfs/dbraw/zinc/06/48/07/1120064807.db2.gz UIVHBPMXZRYKIY-UHFFFAOYSA-N 1 2 284.750 3.630 20 30 CHEDLO Cc1cc(NCc2cc(C#N)ccc2F)nc(C(C)C)[nH+]1 ZINC000301474891 1120138833 /nfs/dbraw/zinc/13/88/33/1120138833.db2.gz SABXUNJTFSJOED-UHFFFAOYSA-N 1 2 284.338 3.531 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@H]3CCCc4cccnc43)c2)CC1 ZINC001168654829 1120174974 /nfs/dbraw/zinc/17/49/74/1120174974.db2.gz GXOGWECZFCFJIC-HNNXBMFYSA-N 1 2 290.370 3.521 20 30 CHEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(F)cc1 ZINC000014239476 1120341027 /nfs/dbraw/zinc/34/10/27/1120341027.db2.gz FQXSZOIGWXDEKG-UHFFFAOYSA-N 1 2 293.345 3.582 20 30 CHEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(F)cc1 ZINC000014239476 1120341030 /nfs/dbraw/zinc/34/10/30/1120341030.db2.gz FQXSZOIGWXDEKG-UHFFFAOYSA-N 1 2 293.345 3.582 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000255676497 1120395803 /nfs/dbraw/zinc/39/58/03/1120395803.db2.gz JWYLAOLBPLIQMJ-HJWRWDBZSA-N 1 2 282.730 3.884 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000310019859 1120401418 /nfs/dbraw/zinc/40/14/18/1120401418.db2.gz MPSHSOSQIMPJOX-NSHDSACASA-N 1 2 260.164 3.839 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000123832344 1120545500 /nfs/dbraw/zinc/54/55/00/1120545500.db2.gz SAERLVATDIPODG-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000123832344 1120545502 /nfs/dbraw/zinc/54/55/02/1120545502.db2.gz SAERLVATDIPODG-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=CCOc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000673618615 1120603025 /nfs/dbraw/zinc/60/30/25/1120603025.db2.gz VGFWRWAWCKGKES-AWEZNQCLSA-N 1 2 267.319 3.529 20 30 CHEDLO C=CCOc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000673618616 1120603514 /nfs/dbraw/zinc/60/35/14/1120603514.db2.gz VGFWRWAWCKGKES-CQSZACIVSA-N 1 2 267.319 3.529 20 30 CHEDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)s2)cc1 ZINC000629711294 1128928519 /nfs/dbraw/zinc/92/85/19/1128928519.db2.gz BOUDEDAPPXBYRE-INIZCTEOSA-N 1 2 296.395 3.623 20 30 CHEDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc(C#N)s2)cc1 ZINC000629711294 1128928520 /nfs/dbraw/zinc/92/85/20/1128928520.db2.gz BOUDEDAPPXBYRE-INIZCTEOSA-N 1 2 296.395 3.623 20 30 CHEDLO C=CC[N@H+](Cc1csc(C2CCCC2)n1)[C@H](C)COC ZINC000661242521 1120742517 /nfs/dbraw/zinc/74/25/17/1120742517.db2.gz BSMVCOCSCZXLMN-CYBMUJFWSA-N 1 2 294.464 3.824 20 30 CHEDLO C=CC[N@@H+](Cc1csc(C2CCCC2)n1)[C@H](C)COC ZINC000661242521 1120742521 /nfs/dbraw/zinc/74/25/21/1120742521.db2.gz BSMVCOCSCZXLMN-CYBMUJFWSA-N 1 2 294.464 3.824 20 30 CHEDLO C=C(C)CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661539962 1120776787 /nfs/dbraw/zinc/77/67/87/1120776787.db2.gz KJTIDUJVVYFRFM-LLVKDONJSA-N 1 2 285.313 3.599 20 30 CHEDLO C=C(C)CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661539962 1120776789 /nfs/dbraw/zinc/77/67/89/1120776789.db2.gz KJTIDUJVVYFRFM-LLVKDONJSA-N 1 2 285.313 3.599 20 30 CHEDLO CCCCCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000105411245 1120974888 /nfs/dbraw/zinc/97/48/88/1120974888.db2.gz YLEUZSPYBOSAAT-UHFFFAOYSA-N 1 2 299.418 3.849 20 30 CHEDLO Cc1ccc2[nH+]cc(CNc3ccc(Cl)c(C#N)c3)n2c1 ZINC000182051056 1121084793 /nfs/dbraw/zinc/08/47/93/1121084793.db2.gz GQEOFILKHGUDNJ-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO Cc1[nH+]cc(CNc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000172808588 1121164112 /nfs/dbraw/zinc/16/41/12/1121164112.db2.gz UEWQNCAIOFKCIH-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO Cc1cccc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350699 1121292306 /nfs/dbraw/zinc/29/23/06/1121292306.db2.gz HINKBMNTKBDKFR-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#Cc1cc(Cl)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352585 1121293714 /nfs/dbraw/zinc/29/37/14/1121293714.db2.gz WXQHKMOYJFPQLQ-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C#N ZINC001175352290 1121293729 /nfs/dbraw/zinc/29/37/29/1121293729.db2.gz MRNKBXYVYDXSNH-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccccc1C#N ZINC000432794611 1121359259 /nfs/dbraw/zinc/35/92/59/1121359259.db2.gz TXHMWSZDZVGPIE-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccccc1C#N ZINC000432794611 1121359268 /nfs/dbraw/zinc/35/92/68/1121359268.db2.gz TXHMWSZDZVGPIE-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO N#Cc1cc(F)cc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001175684795 1121431284 /nfs/dbraw/zinc/43/12/84/1121431284.db2.gz BWIUTRUAPUFKCC-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO CC(C)c1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000433009359 1121516560 /nfs/dbraw/zinc/51/65/60/1121516560.db2.gz HGDFTMIRCNZIKB-HNNXBMFYSA-N 1 2 298.390 3.718 20 30 CHEDLO CCCc1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433019482 1121518859 /nfs/dbraw/zinc/51/88/59/1121518859.db2.gz JTTRCPJVGPMNOE-OAHLLOKOSA-N 1 2 298.390 3.547 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)cccc1C(=O)OC ZINC000509327675 1121531867 /nfs/dbraw/zinc/53/18/67/1121531867.db2.gz MNZLHYBHVVPGEM-UHFFFAOYSA-N 1 2 281.783 3.525 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)cccc1C(=O)OC ZINC000509327675 1121531875 /nfs/dbraw/zinc/53/18/75/1121531875.db2.gz MNZLHYBHVVPGEM-UHFFFAOYSA-N 1 2 281.783 3.525 20 30 CHEDLO C#Cc1cc(Nc2ccc(OC(C)C)cc2Cl)cc[nH+]1 ZINC001176156859 1121571723 /nfs/dbraw/zinc/57/17/23/1121571723.db2.gz ADLPUIDYUYUIOH-UHFFFAOYSA-N 1 2 286.762 3.669 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC[C@@H](OCC)C(C)C)c1O ZINC000074797265 1121584395 /nfs/dbraw/zinc/58/43/95/1121584395.db2.gz FJSMYXVQLCYDER-GYZOOYGHSA-N 1 2 293.407 3.661 20 30 CHEDLO CC(C)n1ccnc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611406958 1121644675 /nfs/dbraw/zinc/64/46/75/1121644675.db2.gz ITQNOQGBCWHCAQ-INIZCTEOSA-N 1 2 282.391 3.599 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749167 1121686769 /nfs/dbraw/zinc/68/67/69/1121686769.db2.gz YHMBQEAHYWHUBW-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC001176749100 1121686910 /nfs/dbraw/zinc/68/69/10/1121686910.db2.gz UMGIJXKXFAWPTD-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO C[C@@H](Oc1cc[nH+]cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC001225290799 1121722981 /nfs/dbraw/zinc/72/29/81/1121722981.db2.gz IFQUADQQRYGEFN-ZCFIWIBFSA-N 1 2 291.166 3.682 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000285959118 1121766081 /nfs/dbraw/zinc/76/60/81/1121766081.db2.gz FJMGHIIMZJDLSV-YGRLFVJLSA-N 1 2 277.318 3.656 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cc1F ZINC000730147373 1121795345 /nfs/dbraw/zinc/79/53/45/1121795345.db2.gz CKSGOPJPAXLOQX-UHFFFAOYSA-N 1 2 297.308 3.771 20 30 CHEDLO Cc1cc(C)c2cc(NCc3nc(C#N)cs3)ccc2[nH+]1 ZINC001179593049 1121892061 /nfs/dbraw/zinc/89/20/61/1121892061.db2.gz MADVEZHVMFMRJL-UHFFFAOYSA-N 1 2 294.383 3.792 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000345773270 1121914556 /nfs/dbraw/zinc/91/45/56/1121914556.db2.gz PJNFTIQEGKGPRL-CYBMUJFWSA-N 1 2 280.346 3.644 20 30 CHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1C#N ZINC000345773270 1121914561 /nfs/dbraw/zinc/91/45/61/1121914561.db2.gz PJNFTIQEGKGPRL-CYBMUJFWSA-N 1 2 280.346 3.644 20 30 CHEDLO C=CCOc1ccc(C[NH+]2Cc3ccccc3C2)cc1OC ZINC000353382902 1122028955 /nfs/dbraw/zinc/02/89/55/1122028955.db2.gz DKLZNYZFGYINEK-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000502862616 1122153710 /nfs/dbraw/zinc/15/37/10/1122153710.db2.gz PGDJGPKFLVPHNJ-GFCCVEGCSA-N 1 2 258.356 3.826 20 30 CHEDLO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000502862616 1122153712 /nfs/dbraw/zinc/15/37/12/1122153712.db2.gz PGDJGPKFLVPHNJ-GFCCVEGCSA-N 1 2 258.356 3.826 20 30 CHEDLO Clc1ccc(N[NH+]=C2CCCNc3ccccc32)cn1 ZINC000774395392 1122160324 /nfs/dbraw/zinc/16/03/24/1122160324.db2.gz YSPCRSXDOQYQOB-UHFFFAOYSA-N 1 2 286.766 3.757 20 30 CHEDLO CCCCCCCCC[C@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001258229892 1129041847 /nfs/dbraw/zinc/04/18/47/1129041847.db2.gz QIEVZELSRDLWCZ-AWEZNQCLSA-N 1 2 269.429 3.811 20 30 CHEDLO CC(C)[Si](C#C[NH2+][C@H]1CCSC1=O)(C(C)C)C(C)C ZINC001167950651 1122263416 /nfs/dbraw/zinc/26/34/16/1122263416.db2.gz MHPOHXYLLOGFCU-AWEZNQCLSA-N 1 2 297.540 3.787 20 30 CHEDLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1C#N ZINC001184965035 1122302912 /nfs/dbraw/zinc/30/29/12/1122302912.db2.gz QSXUFVWOCSMJPC-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC001203654654 1122420162 /nfs/dbraw/zinc/42/01/62/1122420162.db2.gz OYTFCGOGWDULGH-UHFFFAOYSA-N 1 2 268.364 3.870 20 30 CHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000515189810 1122480953 /nfs/dbraw/zinc/48/09/53/1122480953.db2.gz MIYDZZHRHQEDIJ-SFHVURJKSA-N 1 2 280.346 3.629 20 30 CHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000515189810 1122480956 /nfs/dbraw/zinc/48/09/56/1122480956.db2.gz MIYDZZHRHQEDIJ-SFHVURJKSA-N 1 2 280.346 3.629 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccccc2)s1 ZINC000157792891 1122589541 /nfs/dbraw/zinc/58/95/41/1122589541.db2.gz DGBWZDBKDKANGO-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccccc2)s1 ZINC000157792891 1122589543 /nfs/dbraw/zinc/58/95/43/1122589543.db2.gz DGBWZDBKDKANGO-UHFFFAOYSA-N 1 2 256.374 3.761 20 30 CHEDLO CCCCCCCCCCOC(=O)NCCn1cc[nH+]c1 ZINC001194922921 1122823676 /nfs/dbraw/zinc/82/36/76/1122823676.db2.gz DIVAFXMAYOYIGR-UHFFFAOYSA-N 1 2 295.427 3.750 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(F)cc1 ZINC000894574665 1122875353 /nfs/dbraw/zinc/87/53/53/1122875353.db2.gz KCNSDOSHSKHFCL-GOSISDBHSA-N 1 2 294.373 3.564 20 30 CHEDLO C#CC[N@H+](Cc1nc(Cl)ccc1Cl)C(C)(C)C ZINC001197930754 1122973885 /nfs/dbraw/zinc/97/38/85/1122973885.db2.gz SJEFGUQCBDGLSS-UHFFFAOYSA-N 1 2 271.191 3.622 20 30 CHEDLO C#CC[N@@H+](Cc1nc(Cl)ccc1Cl)C(C)(C)C ZINC001197930754 1122973888 /nfs/dbraw/zinc/97/38/88/1122973888.db2.gz SJEFGUQCBDGLSS-UHFFFAOYSA-N 1 2 271.191 3.622 20 30 CHEDLO CC[C@H](F)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000440788341 1123040790 /nfs/dbraw/zinc/04/07/90/1123040790.db2.gz VPSGOPKMAUUVFO-XHSDSOJGSA-N 1 2 260.356 3.506 20 30 CHEDLO CC[C@H](F)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000440788341 1123040795 /nfs/dbraw/zinc/04/07/95/1123040795.db2.gz VPSGOPKMAUUVFO-XHSDSOJGSA-N 1 2 260.356 3.506 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C(C)C)n2ccccc12)C1CC1 ZINC000520415419 1123087397 /nfs/dbraw/zinc/08/73/97/1123087397.db2.gz KPTADBQBPVPSSO-UHFFFAOYSA-N 1 2 269.392 3.608 20 30 CHEDLO C=CC[N@H+](Cc1nc(C(C)C)n2ccccc12)C1CC1 ZINC000520415419 1123087399 /nfs/dbraw/zinc/08/73/99/1123087399.db2.gz KPTADBQBPVPSSO-UHFFFAOYSA-N 1 2 269.392 3.608 20 30 CHEDLO CN(C)c1ccncc1C=[NH+]Nc1cccc2ccccc21 ZINC000776181208 1123096542 /nfs/dbraw/zinc/09/65/42/1123096542.db2.gz UNYJTNJDZGEVIV-UHFFFAOYSA-N 1 2 290.370 3.747 20 30 CHEDLO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201485494 1123106535 /nfs/dbraw/zinc/10/65/35/1123106535.db2.gz HXPSUDMJGSMFLS-UKRRQHHQSA-N 1 2 279.449 3.643 20 30 CHEDLO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201485494 1123106539 /nfs/dbraw/zinc/10/65/39/1123106539.db2.gz HXPSUDMJGSMFLS-UKRRQHHQSA-N 1 2 279.449 3.643 20 30 CHEDLO O=C1c2ccccc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000178941204 1123123113 /nfs/dbraw/zinc/12/31/13/1123123113.db2.gz XKIGLTVTFYFLAT-WYMLVPIESA-N 1 2 274.323 3.547 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc2ccccc2o1 ZINC000178941642 1123123812 /nfs/dbraw/zinc/12/38/12/1123123812.db2.gz TTZSESYFTOXPPL-CMDGGOBGSA-N 1 2 288.306 3.977 20 30 CHEDLO C#CC[N@@H+](Cc1csc([C@@H](C)OCC)n1)C1CCCC1 ZINC000155803666 1129105795 /nfs/dbraw/zinc/10/57/95/1129105795.db2.gz SQSGEHCBAJHDPW-CYBMUJFWSA-N 1 2 292.448 3.618 20 30 CHEDLO CCCCCCC[N@H+](CCC#N)Cc1cccnc1 ZINC001201761692 1123148589 /nfs/dbraw/zinc/14/85/89/1123148589.db2.gz OKMKWEHKCKZZMR-UHFFFAOYSA-N 1 2 259.397 3.768 20 30 CHEDLO CCCCCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001201761692 1123148592 /nfs/dbraw/zinc/14/85/92/1123148592.db2.gz OKMKWEHKCKZZMR-UHFFFAOYSA-N 1 2 259.397 3.768 20 30 CHEDLO C#CC[N@H+](Cc1csc([C@@H](C)OCC)n1)C1CCCC1 ZINC000155803666 1129105797 /nfs/dbraw/zinc/10/57/97/1129105797.db2.gz SQSGEHCBAJHDPW-CYBMUJFWSA-N 1 2 292.448 3.618 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C(C)(C)C)o1 ZINC000062364398 1123189615 /nfs/dbraw/zinc/18/96/15/1123189615.db2.gz GMLNKAKKHMQNPU-UHFFFAOYSA-N 1 2 299.418 3.598 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C(C)(C)C)o1 ZINC000062364398 1123189617 /nfs/dbraw/zinc/18/96/17/1123189617.db2.gz GMLNKAKKHMQNPU-UHFFFAOYSA-N 1 2 299.418 3.598 20 30 CHEDLO C=CCCSCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850503025 1123276375 /nfs/dbraw/zinc/27/63/75/1123276375.db2.gz ZXIZWLYODOORAK-SNVBAGLBSA-N 1 2 287.375 3.630 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC=C(Cl)Cl ZINC000852192141 1123398967 /nfs/dbraw/zinc/39/89/67/1123398967.db2.gz PEKPXANZZXVQTG-JTQLQIEISA-N 1 2 269.175 3.870 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC=C(Cl)Cl ZINC000852192141 1123398969 /nfs/dbraw/zinc/39/89/69/1123398969.db2.gz PEKPXANZZXVQTG-JTQLQIEISA-N 1 2 269.175 3.870 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686592 1123411653 /nfs/dbraw/zinc/41/16/53/1123411653.db2.gz JEANZHURMPEGIE-CABCVRRESA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686592 1123411654 /nfs/dbraw/zinc/41/16/54/1123411654.db2.gz JEANZHURMPEGIE-CABCVRRESA-N 1 2 260.768 3.563 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCCC(F)(F)C1 ZINC000853449149 1123441048 /nfs/dbraw/zinc/44/10/48/1123441048.db2.gz FCRDKLAFKAMRRF-ZDUSSCGKSA-N 1 2 294.345 3.864 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccsc2)oc1C ZINC000338989679 1123551843 /nfs/dbraw/zinc/55/18/43/1123551843.db2.gz ZQXPMWCTMHGDLT-UHFFFAOYSA-N 1 2 274.389 3.886 20 30 CHEDLO C=C1CC(C)(c2noc([C@@H](c3ccccc3)[N@@H+](C)CC)n2)C1 ZINC000896920327 1123781815 /nfs/dbraw/zinc/78/18/15/1123781815.db2.gz MCLKAUSWKVTOJJ-OAHLLOKOSA-N 1 2 297.402 3.718 20 30 CHEDLO C=C1CC(C)(c2noc([C@@H](c3ccccc3)[N@H+](C)CC)n2)C1 ZINC000896920327 1123781817 /nfs/dbraw/zinc/78/18/17/1123781817.db2.gz MCLKAUSWKVTOJJ-OAHLLOKOSA-N 1 2 297.402 3.718 20 30 CHEDLO C[N@@H+]1CCCc2cc(NCc3cccc(F)c3C#N)ccc21 ZINC000864007656 1123908666 /nfs/dbraw/zinc/90/86/66/1123908666.db2.gz OKTSIFOGNSXUFY-UHFFFAOYSA-N 1 2 295.361 3.692 20 30 CHEDLO C[N@H+]1CCCc2cc(NCc3cccc(F)c3C#N)ccc21 ZINC000864007656 1123908668 /nfs/dbraw/zinc/90/86/68/1123908668.db2.gz OKTSIFOGNSXUFY-UHFFFAOYSA-N 1 2 295.361 3.692 20 30 CHEDLO N#CCc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000353003262 1123996524 /nfs/dbraw/zinc/99/65/24/1123996524.db2.gz QRPQVIAGHCGJFQ-UHFFFAOYSA-N 1 2 294.383 3.612 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cccc(C#N)c1O ZINC000866214421 1124037977 /nfs/dbraw/zinc/03/79/77/1124037977.db2.gz CEHLVGQOQVFWNI-QWHCGFSZSA-N 1 2 284.359 3.529 20 30 CHEDLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866240241 1124040365 /nfs/dbraw/zinc/04/03/65/1124040365.db2.gz ZDCWQQLPPSHOLT-OLZOCXBDSA-N 1 2 296.370 3.684 20 30 CHEDLO CC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)c1cccc(C#N)c1O ZINC000925158800 1124055089 /nfs/dbraw/zinc/05/50/89/1124055089.db2.gz SLYOLCRBWIKANC-IPYPFGDCSA-N 1 2 290.432 3.589 20 30 CHEDLO CCc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866385024 1124060460 /nfs/dbraw/zinc/06/04/60/1124060460.db2.gz RAGYFSUIOVYCTF-ZDUSSCGKSA-N 1 2 280.371 3.677 20 30 CHEDLO C=CC[C@H]1[N@H+](Cc2noc(C(C)(C)C)n2)CCCC1(C)C ZINC000444780583 1124060547 /nfs/dbraw/zinc/06/05/47/1124060547.db2.gz NKAJZHPQIPNKPR-CYBMUJFWSA-N 1 2 291.439 3.934 20 30 CHEDLO C=CC[C@H]1[N@@H+](Cc2noc(C(C)(C)C)n2)CCCC1(C)C ZINC000444780583 1124060551 /nfs/dbraw/zinc/06/05/51/1124060551.db2.gz NKAJZHPQIPNKPR-CYBMUJFWSA-N 1 2 291.439 3.934 20 30 CHEDLO Cc1[nH]c(/C=C2\CCc3c(Cl)cccc3C2=O)[nH+]c1C ZINC001119597450 1131258755 /nfs/dbraw/zinc/25/87/55/1131258755.db2.gz PMMMAWNRUCOVNL-DHZHZOJOSA-N 1 2 286.762 3.892 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000526057077 1124504057 /nfs/dbraw/zinc/50/40/57/1124504057.db2.gz HQCUAQDLAKDXHY-IBUXWKBASA-N 1 2 274.795 3.977 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000526057077 1124504065 /nfs/dbraw/zinc/50/40/65/1124504065.db2.gz HQCUAQDLAKDXHY-IBUXWKBASA-N 1 2 274.795 3.977 20 30 CHEDLO N#CCC[NH2+][C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000872238509 1124699387 /nfs/dbraw/zinc/69/93/87/1124699387.db2.gz IENKTVUZKGVJOY-INIZCTEOSA-N 1 2 282.391 3.688 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(F)F ZINC000449360011 1124711652 /nfs/dbraw/zinc/71/16/52/1124711652.db2.gz INJWMQHAPRIXPZ-CQSZACIVSA-N 1 2 282.334 3.502 20 30 CHEDLO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874128408 1124820323 /nfs/dbraw/zinc/82/03/23/1124820323.db2.gz PUUNSBQIMUSWOF-RBSFLKMASA-N 1 2 291.439 3.626 20 30 CHEDLO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874128408 1124820330 /nfs/dbraw/zinc/82/03/30/1124820330.db2.gz PUUNSBQIMUSWOF-RBSFLKMASA-N 1 2 291.439 3.626 20 30 CHEDLO Cc1cccn2c(/C=C3\CCc4ccccc4C3=O)c[nH+]c12 ZINC000125220194 1124870754 /nfs/dbraw/zinc/87/07/54/1124870754.db2.gz DFPMTSBWLFWETK-RVDMUPIBSA-N 1 2 288.350 3.855 20 30 CHEDLO Nc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)c[nH+]1 ZINC000821039955 1131317011 /nfs/dbraw/zinc/31/70/11/1131317011.db2.gz UNAKHFGAZOJJMC-HNQUOIGGSA-N 1 2 299.182 3.928 20 30 CHEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000876864338 1124984806 /nfs/dbraw/zinc/98/48/06/1124984806.db2.gz QPJCGWKQQYXSRG-AWEZNQCLSA-N 1 2 289.448 3.592 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000877191342 1125018534 /nfs/dbraw/zinc/01/85/34/1125018534.db2.gz QNGDIDQIEBMMDK-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CC(=O)c1ccc([C@H](C)Nc2cc(CC#N)cc[nH+]2)cc1 ZINC001159913505 1131334071 /nfs/dbraw/zinc/33/40/71/1131334071.db2.gz ZVPLVYMYPWQIRN-LBPRGKRZSA-N 1 2 279.343 3.523 20 30 CHEDLO C=CC(C)(C)CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000878379026 1125147746 /nfs/dbraw/zinc/14/77/46/1125147746.db2.gz OSJRURVYZUZSPE-UHFFFAOYSA-N 1 2 295.452 3.526 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000127331121 1125177990 /nfs/dbraw/zinc/17/79/90/1125177990.db2.gz WFRBNFPAGNVWIT-LLVKDONJSA-N 1 2 269.797 3.538 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)o1 ZINC000878916175 1125186178 /nfs/dbraw/zinc/18/61/78/1125186178.db2.gz HJXLNKTXWZEUSI-INIZCTEOSA-N 1 2 282.343 3.862 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)o1 ZINC000878916175 1125186182 /nfs/dbraw/zinc/18/61/82/1125186182.db2.gz HJXLNKTXWZEUSI-INIZCTEOSA-N 1 2 282.343 3.862 20 30 CHEDLO N#CCCCOc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000192150695 1125330999 /nfs/dbraw/zinc/33/09/99/1125330999.db2.gz JTDPPUNRJORMKB-UHFFFAOYSA-N 1 2 285.322 3.515 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc(C)cnc1=S ZINC000131075709 1125373679 /nfs/dbraw/zinc/37/36/79/1125373679.db2.gz XGWRAGKCEODMFW-UHFFFAOYSA-N 1 2 285.416 3.567 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc(C)cnc1=S ZINC000131075709 1125373682 /nfs/dbraw/zinc/37/36/82/1125373682.db2.gz XGWRAGKCEODMFW-UHFFFAOYSA-N 1 2 285.416 3.567 20 30 CHEDLO Cc1cc(NCc2ccc(N(C)CCC#N)cc2)c[nH+]c1C ZINC000883341939 1125398844 /nfs/dbraw/zinc/39/88/44/1125398844.db2.gz FJCHFIALASOXAQ-UHFFFAOYSA-N 1 2 294.402 3.660 20 30 CHEDLO Cc1cc(N[C@@H](C)c2ccc(OCC#N)cc2)c[nH+]c1C ZINC000883342394 1125398911 /nfs/dbraw/zinc/39/89/11/1125398911.db2.gz VTLSGBSRTJNVHU-AWEZNQCLSA-N 1 2 281.359 3.774 20 30 CHEDLO CCSCc1ccc[nH+]c1NCc1ccc(C#N)cc1 ZINC000883378560 1125405663 /nfs/dbraw/zinc/40/56/63/1125405663.db2.gz QRFQHILDFODJQD-UHFFFAOYSA-N 1 2 283.400 3.818 20 30 CHEDLO C=C(C)CCO[NH+]=C(N)c1cccc2ccccc21 ZINC000795204756 1129188943 /nfs/dbraw/zinc/18/89/43/1129188943.db2.gz MIBHEEOIPUMZIN-UHFFFAOYSA-N 1 2 254.333 3.653 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1cnc(C)nc1C ZINC000637966249 1129239410 /nfs/dbraw/zinc/23/94/10/1129239410.db2.gz OZWXUNGJZXFENL-CQSZACIVSA-N 1 2 299.393 3.982 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)c1cnc(C)nc1C ZINC000637966249 1129239412 /nfs/dbraw/zinc/23/94/12/1129239412.db2.gz OZWXUNGJZXFENL-CQSZACIVSA-N 1 2 299.393 3.982 20 30 CHEDLO C=CCCC[C@H](C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000638837810 1129271943 /nfs/dbraw/zinc/27/19/43/1129271943.db2.gz XPXQCXXRQBHKCM-ZFWWWQNUSA-N 1 2 276.428 3.761 20 30 CHEDLO CC(C)(Nc1[nH+]ccc2ccc(C#N)cc21)C1CC1 ZINC001155067454 1129413336 /nfs/dbraw/zinc/41/33/36/1129413336.db2.gz SPNVQKBRVDOMBM-UHFFFAOYSA-N 1 2 251.333 3.707 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@H](C)Cc2cccs2)c1 ZINC000741464484 1129436677 /nfs/dbraw/zinc/43/66/77/1129436677.db2.gz PDBDAVNBMSWIDD-ZSAINHDTSA-N 1 2 289.400 3.760 20 30 CHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccsc1 ZINC000737443101 1129448066 /nfs/dbraw/zinc/44/80/66/1129448066.db2.gz FYXHTIVTYDTGQM-NSCUHMNNSA-N 1 2 288.759 3.945 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000302836275 1129504418 /nfs/dbraw/zinc/50/44/18/1129504418.db2.gz FLVOTPDNTVZUHX-UHFFFAOYSA-N 1 2 263.690 3.890 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000302836275 1129504422 /nfs/dbraw/zinc/50/44/22/1129504422.db2.gz FLVOTPDNTVZUHX-UHFFFAOYSA-N 1 2 263.690 3.890 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000743876389 1129543256 /nfs/dbraw/zinc/54/32/56/1129543256.db2.gz ZKFDTJGZDZTRLK-CMPLNLGQSA-N 1 2 284.197 3.961 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000743876389 1129543258 /nfs/dbraw/zinc/54/32/58/1129543258.db2.gz ZKFDTJGZDZTRLK-CMPLNLGQSA-N 1 2 284.197 3.961 20 30 CHEDLO CCCN(CCC)c1[nH+]ccc2ccc(C#N)cc21 ZINC000144795650 1129693897 /nfs/dbraw/zinc/69/38/97/1129693897.db2.gz VPWGZTVTDMNIRR-UHFFFAOYSA-N 1 2 253.349 3.733 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2ccc3ccccc3n2)cc1 ZINC000254710862 1129706553 /nfs/dbraw/zinc/70/65/53/1129706553.db2.gz JKNZJAWNRPACOA-UHFFFAOYSA-N 1 2 290.370 3.747 20 30 CHEDLO Cc1cc(NC23CCC(C#N)(CC2)CC3)c[nH+]c1C ZINC001169750625 1129752750 /nfs/dbraw/zinc/75/27/50/1129752750.db2.gz IYPWIISCKZXXOZ-UHFFFAOYSA-N 1 2 255.365 3.727 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001169953693 1129767943 /nfs/dbraw/zinc/76/79/43/1129767943.db2.gz ZGAWDZRGLYEMSA-UHFFFAOYSA-N 1 2 299.349 3.696 20 30 CHEDLO Cc1cncc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000767367470 1129789173 /nfs/dbraw/zinc/78/91/73/1129789173.db2.gz OJMVDVWWKGCXAK-IHWYPQMZSA-N 1 2 295.367 3.533 20 30 CHEDLO Cc1cc(C#N)cc(-c2cc(F)c(C[NH+](C)C)c(F)c2)c1 ZINC001242481008 1129872730 /nfs/dbraw/zinc/87/27/30/1129872730.db2.gz ZWLXVSTXHRGBCA-UHFFFAOYSA-N 1 2 286.325 3.874 20 30 CHEDLO COc1cccc2cc(C[N@H+](C[C@H](C)C#N)C3CC3)oc21 ZINC000769543648 1129916946 /nfs/dbraw/zinc/91/69/46/1129916946.db2.gz FTJWXBRNTQFILD-GFCCVEGCSA-N 1 2 284.359 3.565 20 30 CHEDLO COc1cccc2cc(C[N@@H+](C[C@H](C)C#N)C3CC3)oc21 ZINC000769543648 1129916948 /nfs/dbraw/zinc/91/69/48/1129916948.db2.gz FTJWXBRNTQFILD-GFCCVEGCSA-N 1 2 284.359 3.565 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCCc2cccs2)c1O ZINC000769548176 1129917099 /nfs/dbraw/zinc/91/70/99/1129917099.db2.gz HIEHJTODWMSAKL-SFQUDFHCSA-N 1 2 289.400 3.904 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1ccccc1N(C)C ZINC000769566787 1129918074 /nfs/dbraw/zinc/91/80/74/1129918074.db2.gz KEUWYBBKHRHRKF-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)c(C)s1 ZINC000901431315 1129925118 /nfs/dbraw/zinc/92/51/18/1129925118.db2.gz SGBVPHGQPCQZBV-AATRIKPKSA-N 1 2 260.362 3.601 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)s1 ZINC000901443251 1129925410 /nfs/dbraw/zinc/92/54/10/1129925410.db2.gz NGTWEPBMNHLRRD-FNORWQNLSA-N 1 2 274.389 3.984 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(cccc2Cl)C1=O ZINC000901466801 1129927230 /nfs/dbraw/zinc/92/72/30/1129927230.db2.gz AEGIRZPCOJBFQX-IZZDOVSWSA-N 1 2 286.762 3.940 20 30 CHEDLO Cc1ccc2c(c1C)C(=O)/C(=C\c1c[nH+]cn1C(C)C)CO2 ZINC000901477122 1129927956 /nfs/dbraw/zinc/92/79/56/1129927956.db2.gz HAZSUHKYCPVTOV-AUWJEWJLSA-N 1 2 296.370 3.740 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)o1 ZINC000901482764 1129929006 /nfs/dbraw/zinc/92/90/06/1129929006.db2.gz WDRSIFPVOFYAQH-FNORWQNLSA-N 1 2 258.321 3.516 20 30 CHEDLO Cc1[nH]c(/C=C2\C[C@@H](C)c3ccccc3C2=O)[nH+]c1C ZINC000901486308 1129929439 /nfs/dbraw/zinc/92/94/39/1129929439.db2.gz ARSRTGWKSVILOM-QQMDNXKGSA-N 1 2 266.344 3.800 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2ccc(Cl)cc2C1=O ZINC000901491754 1129930239 /nfs/dbraw/zinc/93/02/39/1129930239.db2.gz VODMGKMFWFHPCA-SDQBBNPISA-N 1 2 286.762 3.940 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000769975825 1129934128 /nfs/dbraw/zinc/93/41/28/1129934128.db2.gz MLMCSWZHSUUIQU-CYBMUJFWSA-N 1 2 270.401 3.572 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000769975825 1129934131 /nfs/dbraw/zinc/93/41/31/1129934131.db2.gz MLMCSWZHSUUIQU-CYBMUJFWSA-N 1 2 270.401 3.572 20 30 CHEDLO CC(C)(C)c1ccc(C=NOCc2ccc(N)[nH+]c2)cc1 ZINC000902130772 1129983351 /nfs/dbraw/zinc/98/33/51/1129983351.db2.gz SFWPYZXZECJUDN-UHFFFAOYSA-N 1 2 283.375 3.512 20 30 CHEDLO Cc1ccsc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000771861103 1129991885 /nfs/dbraw/zinc/99/18/85/1129991885.db2.gz UYETUNUGWVSWFO-SNAWJCMRSA-N 1 2 282.368 3.909 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c(O)c1 ZINC000771859568 1129994542 /nfs/dbraw/zinc/99/45/42/1129994542.db2.gz NTSJJTCLKMIRNJ-ALCCZGGFSA-N 1 2 292.338 3.553 20 30 CHEDLO CC(=O)c1ccc(-c2ccc([NH+]=CN(C)C)c(C#N)c2)cc1 ZINC001239631245 1130023688 /nfs/dbraw/zinc/02/36/88/1130023688.db2.gz QYNKIQRBKHYTDG-UDWIEESQSA-N 1 2 291.354 3.649 20 30 CHEDLO COc1cc(OC)c([C@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903100532 1130112649 /nfs/dbraw/zinc/11/26/49/1130112649.db2.gz RXXUNZCUGGEDNT-JTQLQIEISA-N 1 2 296.798 3.558 20 30 CHEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1F ZINC001239823414 1130125128 /nfs/dbraw/zinc/12/51/28/1130125128.db2.gz PWRQUJKELLJHCR-RGVLZGJSSA-N 1 2 281.334 3.894 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(Cl)cs1 ZINC000787048442 1130127897 /nfs/dbraw/zinc/12/78/97/1130127897.db2.gz FMLCGSOGXSXZLP-UHFFFAOYSA-N 1 2 256.802 3.773 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(Cl)cs1 ZINC000787048442 1130127900 /nfs/dbraw/zinc/12/79/00/1130127900.db2.gz FMLCGSOGXSXZLP-UHFFFAOYSA-N 1 2 256.802 3.773 20 30 CHEDLO CC(C)CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccoc1 ZINC000903265172 1130139279 /nfs/dbraw/zinc/13/92/79/1130139279.db2.gz YINGFQHTEDEHES-AWEZNQCLSA-N 1 2 289.404 3.875 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000787311680 1130147038 /nfs/dbraw/zinc/14/70/38/1130147038.db2.gz YDVMYDJKIRETRA-SNVBAGLBSA-N 1 2 269.747 3.725 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000787311680 1130147039 /nfs/dbraw/zinc/14/70/39/1130147039.db2.gz YDVMYDJKIRETRA-SNVBAGLBSA-N 1 2 269.747 3.725 20 30 CHEDLO C=C(Br)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789309796 1130242360 /nfs/dbraw/zinc/24/23/60/1130242360.db2.gz GWQPCFHQXZJDRY-UHFFFAOYSA-N 1 2 298.199 3.856 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4ccc(F)cc4C3=O)n21 ZINC000749005232 1130256977 /nfs/dbraw/zinc/25/69/77/1130256977.db2.gz XULAJIAHHNXBDU-JYRVWZFOSA-N 1 2 292.313 3.604 20 30 CHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)cc1 ZINC000748994753 1130257783 /nfs/dbraw/zinc/25/77/83/1130257783.db2.gz SNQUBQKMXRPNTC-DHZHZOJOSA-N 1 2 292.338 3.547 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCc2cccc(C)c2)c(O)c1 ZINC000749103748 1130264227 /nfs/dbraw/zinc/26/42/27/1130264227.db2.gz ANQWTZJZXFAWGH-UYRXBGFRSA-N 1 2 283.371 3.761 20 30 CHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccccc2F)cn1 ZINC000790155686 1130292508 /nfs/dbraw/zinc/29/25/08/1130292508.db2.gz PNAAFAPIRNRDFI-UHFFFAOYSA-N 1 2 286.354 3.511 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000811516207 1130620353 /nfs/dbraw/zinc/62/03/53/1130620353.db2.gz GSNFHOOMBLUITE-MRXNPFEDSA-N 1 2 273.738 3.943 20 30 CHEDLO Cl/C=C\CO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000811671461 1130634947 /nfs/dbraw/zinc/63/49/47/1130634947.db2.gz FXRUWOQDOHCBJE-IMURNZGBSA-N 1 2 284.812 3.841 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235044873 1130706187 /nfs/dbraw/zinc/70/61/87/1130706187.db2.gz WBGNUOGOTTXNHL-ZDUSSCGKSA-N 1 2 283.350 3.556 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235044873 1130706193 /nfs/dbraw/zinc/70/61/93/1130706193.db2.gz WBGNUOGOTTXNHL-ZDUSSCGKSA-N 1 2 283.350 3.556 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(OCC)c1 ZINC001235799658 1130780192 /nfs/dbraw/zinc/78/01/92/1130780192.db2.gz KTZDYXQRIWGOHW-UHFFFAOYSA-N 1 2 278.371 3.740 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(OCC)c1 ZINC001235799658 1130780197 /nfs/dbraw/zinc/78/01/97/1130780197.db2.gz KTZDYXQRIWGOHW-UHFFFAOYSA-N 1 2 278.371 3.740 20 30 CHEDLO Oc1ccccc1/C=[NH+]\[C@H]1C[C@H](c2ccccc2)C1 ZINC000797785026 1131001604 /nfs/dbraw/zinc/00/16/04/1131001604.db2.gz RDMMWKXMPCUKCW-GMSGALOVSA-N 1 2 251.329 3.757 20 30 CHEDLO C=CCC(F)(F)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000816547759 1131106946 /nfs/dbraw/zinc/10/69/46/1131106946.db2.gz IHDUSOFLUFKZOR-UHFFFAOYSA-N 1 2 291.301 3.535 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cccc(C)c1OC ZINC001237512229 1131107855 /nfs/dbraw/zinc/10/78/55/1131107855.db2.gz YSWUHGWKNLWSFV-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO C=CCC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816628222 1131114214 /nfs/dbraw/zinc/11/42/14/1131114214.db2.gz MGQUDGMIGGXEOL-UHFFFAOYSA-N 1 2 271.763 3.877 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cccc(-c2ccccn2)n1 ZINC001237831919 1131145760 /nfs/dbraw/zinc/14/57/60/1131145760.db2.gz KXQYGZQCHHXRPX-UHFFFAOYSA-N 1 2 294.402 3.659 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cccc(-c2ccccn2)n1 ZINC001237831919 1131145761 /nfs/dbraw/zinc/14/57/61/1131145761.db2.gz KXQYGZQCHHXRPX-UHFFFAOYSA-N 1 2 294.402 3.659 20 30 CHEDLO Cc1ncncc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001238169559 1131176072 /nfs/dbraw/zinc/17/60/72/1131176072.db2.gz LXQKVESAVOLUMK-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1ncncc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001238169559 1131176073 /nfs/dbraw/zinc/17/60/73/1131176073.db2.gz LXQKVESAVOLUMK-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1c(F)cc(F)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001143757791 1131531872 /nfs/dbraw/zinc/53/18/72/1131531872.db2.gz NKHWLMPNYFQAAP-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1c(F)cc(F)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001143757791 1131531874 /nfs/dbraw/zinc/53/18/74/1131531874.db2.gz NKHWLMPNYFQAAP-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138688829 1131538348 /nfs/dbraw/zinc/53/83/48/1131538348.db2.gz KDIMVGPPKFUVIF-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138688829 1131538350 /nfs/dbraw/zinc/53/83/50/1131538350.db2.gz KDIMVGPPKFUVIF-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CCCC1 ZINC001139013470 1131572938 /nfs/dbraw/zinc/57/29/38/1131572938.db2.gz BLFQSXGOVCWKLQ-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CCCC1 ZINC001139013470 1131572946 /nfs/dbraw/zinc/57/29/46/1131572946.db2.gz BLFQSXGOVCWKLQ-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)nc1 ZINC001144169615 1131594623 /nfs/dbraw/zinc/59/46/23/1131594623.db2.gz OPZXACWZXWOQED-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)nc1 ZINC001144169615 1131594627 /nfs/dbraw/zinc/59/46/27/1131594627.db2.gz OPZXACWZXWOQED-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C=C(C)CC[C@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000845866255 1131664113 /nfs/dbraw/zinc/66/41/13/1131664113.db2.gz NRUGQZAZGLOQFA-HNNXBMFYSA-N 1 2 298.386 3.833 20 30 CHEDLO C=CCCC[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835269922 1131801771 /nfs/dbraw/zinc/80/17/71/1131801771.db2.gz PMDKJCYXPLXCOL-OAHLLOKOSA-N 1 2 298.386 3.833 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600837 1131821597 /nfs/dbraw/zinc/82/15/97/1131821597.db2.gz XBWUPTWCQDFHPL-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO CC[NH+]1CC(Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228560923 1131910767 /nfs/dbraw/zinc/91/07/67/1131910767.db2.gz FHEQWJCIXVHAAU-UHFFFAOYSA-N 1 2 280.371 3.520 20 30 CHEDLO N#CCC[N@@H+](Cc1cnccc1C(F)(F)F)C1CCCC1 ZINC001140916806 1131963405 /nfs/dbraw/zinc/96/34/05/1131963405.db2.gz FKKNJSIPYODUEF-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1cnccc1C(F)(F)F)C1CCCC1 ZINC001140916806 1131963407 /nfs/dbraw/zinc/96/34/07/1131963407.db2.gz FKKNJSIPYODUEF-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2cc(OC)ccc2nc1Cl ZINC001141064884 1132000643 /nfs/dbraw/zinc/00/06/43/1132000643.db2.gz VSCSGACNBVCWND-UHFFFAOYSA-N 1 2 276.767 3.515 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2cc(OC)ccc2nc1Cl ZINC001141064884 1132000649 /nfs/dbraw/zinc/00/06/49/1132000649.db2.gz VSCSGACNBVCWND-UHFFFAOYSA-N 1 2 276.767 3.515 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC001141166891 1132034331 /nfs/dbraw/zinc/03/43/31/1132034331.db2.gz NRNLVHJZMWVCKT-UHFFFAOYSA-N 1 2 294.373 3.991 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC001141166891 1132034337 /nfs/dbraw/zinc/03/43/37/1132034337.db2.gz NRNLVHJZMWVCKT-UHFFFAOYSA-N 1 2 294.373 3.991 20 30 CHEDLO Cc1cc(C[N@H+](C)CCC#N)ccc1OCc1ccccc1 ZINC001141251046 1132060040 /nfs/dbraw/zinc/06/00/40/1132060040.db2.gz JAWFAKCJVTVHJT-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO Cc1cc(C[N@@H+](C)CCC#N)ccc1OCc1ccccc1 ZINC001141251046 1132060046 /nfs/dbraw/zinc/06/00/46/1132060046.db2.gz JAWFAKCJVTVHJT-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000839660402 1132228998 /nfs/dbraw/zinc/22/89/98/1132228998.db2.gz DZGWTSMWUDNAJB-UHFFFAOYSA-N 1 2 260.164 3.533 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000839660402 1132229004 /nfs/dbraw/zinc/22/90/04/1132229004.db2.gz DZGWTSMWUDNAJB-UHFFFAOYSA-N 1 2 260.164 3.533 20 30 CHEDLO CCCCCCC[C@@H](CCC)[NH2+]C1(C(=O)OC)CC1 ZINC001172503091 1132251776 /nfs/dbraw/zinc/25/17/76/1132251776.db2.gz VXQIUYGYEVDXHS-CQSZACIVSA-N 1 2 269.429 3.811 20 30 CHEDLO C[C@H](CC(C)(C)S)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231083744 1132253107 /nfs/dbraw/zinc/25/31/07/1132253107.db2.gz GQIWUJOJVBQRTQ-LLVKDONJSA-N 1 2 276.405 3.943 20 30 CHEDLO C=C[C@H](CCC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083713 1132253814 /nfs/dbraw/zinc/25/38/14/1132253814.db2.gz NWCTVBMUXFGGON-CQSZACIVSA-N 1 2 256.349 3.821 20 30 CHEDLO CC#CC[C@H](CC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082787 1132253848 /nfs/dbraw/zinc/25/38/48/1132253848.db2.gz ZIBDAWIAAVZZDO-AWEZNQCLSA-N 1 2 254.333 3.648 20 30 CHEDLO N#C[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565180 1132270685 /nfs/dbraw/zinc/27/06/85/1132270685.db2.gz SOOODXFUPUDQCP-BRWVUGGUSA-N 1 2 254.377 3.701 20 30 CHEDLO N#C[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565180 1132270688 /nfs/dbraw/zinc/27/06/88/1132270688.db2.gz SOOODXFUPUDQCP-BRWVUGGUSA-N 1 2 254.377 3.701 20 30 CHEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@H](C#N)C1 ZINC001172579066 1132284042 /nfs/dbraw/zinc/28/40/42/1132284042.db2.gz VICVNSOIXAGNJE-GHMZBOCLSA-N 1 2 298.764 3.785 20 30 CHEDLO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@H](C#N)C1 ZINC001172579066 1132284048 /nfs/dbraw/zinc/28/40/48/1132284048.db2.gz VICVNSOIXAGNJE-GHMZBOCLSA-N 1 2 298.764 3.785 20 30 CHEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001172724162 1132298188 /nfs/dbraw/zinc/29/81/88/1132298188.db2.gz OGPHXMNQBCWVAU-KBXCAEBGSA-N 1 2 291.435 3.587 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172839427 1132331084 /nfs/dbraw/zinc/33/10/84/1132331084.db2.gz UGURNGYARCWHOE-INIZCTEOSA-N 1 2 256.393 3.524 20 30 CHEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172872574 1132352427 /nfs/dbraw/zinc/35/24/27/1132352427.db2.gz NJMUNSJTDQMUSJ-XHDPSFHLSA-N 1 2 280.774 3.646 20 30 CHEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC001172872574 1132352434 /nfs/dbraw/zinc/35/24/34/1132352434.db2.gz NJMUNSJTDQMUSJ-XHDPSFHLSA-N 1 2 280.774 3.646 20 30 CHEDLO CCCOC1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001173091688 1132383980 /nfs/dbraw/zinc/38/39/80/1132383980.db2.gz ZHTMLONRQGTDCP-UHFFFAOYSA-N 1 2 278.440 3.930 20 30 CHEDLO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001232006738 1132410377 /nfs/dbraw/zinc/41/03/77/1132410377.db2.gz MQTCLLKZCKUEHA-GFCCVEGCSA-N 1 2 282.309 3.749 20 30 CHEDLO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001232006738 1132410380 /nfs/dbraw/zinc/41/03/80/1132410380.db2.gz MQTCLLKZCKUEHA-GFCCVEGCSA-N 1 2 282.309 3.749 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cccn1Cc1ccccc1 ZINC001232234404 1132440950 /nfs/dbraw/zinc/44/09/50/1132440950.db2.gz YSZAWFRPJLFEGN-UHFFFAOYSA-N 1 2 281.403 3.662 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cccn1Cc1ccccc1 ZINC001232234404 1132440953 /nfs/dbraw/zinc/44/09/53/1132440953.db2.gz YSZAWFRPJLFEGN-UHFFFAOYSA-N 1 2 281.403 3.662 20 30 CHEDLO CCCCCCCC[C@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001173308857 1132449680 /nfs/dbraw/zinc/44/96/80/1132449680.db2.gz CYKPQBCYAPSJDJ-IRXDYDNUSA-N 1 2 279.472 3.703 20 30 CHEDLO C=CCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232678523 1132504127 /nfs/dbraw/zinc/50/41/27/1132504127.db2.gz BSVWXYJCZKDMBN-UHFFFAOYSA-N 1 2 292.382 3.842 20 30 CHEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232678523 1132504131 /nfs/dbraw/zinc/50/41/31/1132504131.db2.gz BSVWXYJCZKDMBN-UHFFFAOYSA-N 1 2 292.382 3.842 20 30 CHEDLO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1cc(C#N)ccc1O ZINC001232678020 1132504423 /nfs/dbraw/zinc/50/44/23/1132504423.db2.gz OPUZVZAOGOLIFJ-UHFFFAOYSA-N 1 2 294.398 3.903 20 30 CHEDLO CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cc(C#N)ccc1O ZINC001232678020 1132504429 /nfs/dbraw/zinc/50/44/29/1132504429.db2.gz OPUZVZAOGOLIFJ-UHFFFAOYSA-N 1 2 294.398 3.903 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2O)Cc2ccccc21 ZINC001232677855 1132506347 /nfs/dbraw/zinc/50/63/47/1132506347.db2.gz LKHYTXSYAGRHGH-UHFFFAOYSA-N 1 2 292.382 3.557 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2O)Cc2ccccc21 ZINC001232677855 1132506353 /nfs/dbraw/zinc/50/63/53/1132506353.db2.gz LKHYTXSYAGRHGH-UHFFFAOYSA-N 1 2 292.382 3.557 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(OC)c(C)cc1OC ZINC001232829984 1132526807 /nfs/dbraw/zinc/52/68/07/1132526807.db2.gz BWPMHAKMNSPLOH-UHFFFAOYSA-N 1 2 290.407 3.528 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(OC)c(C)cc1OC ZINC001232829984 1132526813 /nfs/dbraw/zinc/52/68/13/1132526813.db2.gz BWPMHAKMNSPLOH-UHFFFAOYSA-N 1 2 290.407 3.528 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC001232893003 1132537417 /nfs/dbraw/zinc/53/74/17/1132537417.db2.gz MHWQNJBUYDGCNZ-UHFFFAOYSA-N 1 2 294.373 3.991 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC001232893003 1132537422 /nfs/dbraw/zinc/53/74/22/1132537422.db2.gz MHWQNJBUYDGCNZ-UHFFFAOYSA-N 1 2 294.373 3.991 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)CCC1(F)F ZINC001232889000 1132538659 /nfs/dbraw/zinc/53/86/59/1132538659.db2.gz YOGNTGACECUOMV-UHFFFAOYSA-N 1 2 282.309 3.565 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)CCC1(F)F ZINC001232889000 1132538663 /nfs/dbraw/zinc/53/86/63/1132538663.db2.gz YOGNTGACECUOMV-UHFFFAOYSA-N 1 2 282.309 3.565 20 30 CHEDLO COc1cc(Cl)cc(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001233003728 1132561297 /nfs/dbraw/zinc/56/12/97/1132561297.db2.gz SAVFKCIOEHYELW-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO COc1cc(Cl)cc(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001233003728 1132561301 /nfs/dbraw/zinc/56/13/01/1132561301.db2.gz SAVFKCIOEHYELW-LLVKDONJSA-N 1 2 296.773 3.613 20 30 CHEDLO CC[N@H+](Cc1[nH]ccc1C#N)Cc1ccc(Cl)cc1 ZINC001233048128 1132566736 /nfs/dbraw/zinc/56/67/36/1132566736.db2.gz WQSDHYWMOHIMDS-UHFFFAOYSA-N 1 2 273.767 3.562 20 30 CHEDLO CC[N@@H+](Cc1[nH]ccc1C#N)Cc1ccc(Cl)cc1 ZINC001233048128 1132566740 /nfs/dbraw/zinc/56/67/40/1132566740.db2.gz WQSDHYWMOHIMDS-UHFFFAOYSA-N 1 2 273.767 3.562 20 30 CHEDLO CCCC[NH+](CCCC)Cc1ccc(C#N)cc1O ZINC001233386196 1132614176 /nfs/dbraw/zinc/61/41/76/1132614176.db2.gz JNKPOEWUBWJDJB-UHFFFAOYSA-N 1 2 260.381 3.666 20 30 CHEDLO COc1c[nH+]c(NC(C)(C)c2ccc(C#N)cc2)c(C)c1 ZINC001156430334 1132695866 /nfs/dbraw/zinc/69/58/66/1132695866.db2.gz WSMLLMHHIGSCKX-UHFFFAOYSA-N 1 2 281.359 3.618 20 30 CHEDLO Cc1nc(NC23CCC(C#N)(CC2)CC3)cc(C(C)C)[nH+]1 ZINC001158786080 1132793449 /nfs/dbraw/zinc/79/34/49/1132793449.db2.gz YJUHRWKBGGCAHR-UHFFFAOYSA-N 1 2 284.407 3.937 20 30 CHEDLO CCOc1cc[nH+]cc1Nc1ccc(Cl)c(C#N)c1 ZINC001174401562 1132815963 /nfs/dbraw/zinc/81/59/63/1132815963.db2.gz GSYPUNDFGGCYGG-UHFFFAOYSA-N 1 2 273.723 3.749 20 30 CHEDLO Cc1nc(C#N)c(Nc2ccc3c(c2)[nH+]cn3C(C)C)o1 ZINC001174381754 1132829236 /nfs/dbraw/zinc/82/92/36/1132829236.db2.gz PTYOXNNXQMISSP-UHFFFAOYSA-N 1 2 281.319 3.529 20 30 CHEDLO N#CCc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174522725 1132913111 /nfs/dbraw/zinc/91/31/11/1132913111.db2.gz WIHTWIDAWLWCHA-UHFFFAOYSA-N 1 2 292.386 3.882 20 30 CHEDLO CC(C)(C)n1cc(C#N)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213026986 1132984322 /nfs/dbraw/zinc/98/43/22/1132984322.db2.gz BWPCAUDKHAQKTO-UHFFFAOYSA-N 1 2 279.347 3.735 20 30 CHEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(F)c1Cl ZINC001213033529 1133005134 /nfs/dbraw/zinc/00/51/34/1133005134.db2.gz LGFZJMLCLFNALA-UHFFFAOYSA-N 1 2 286.697 3.971 20 30 CHEDLO N#Cc1ccc(-c2ccc(NCCCn3cc[nH+]c3)cc2)o1 ZINC001161684968 1133016063 /nfs/dbraw/zinc/01/60/63/1133016063.db2.gz ZNBZQWGSGSJFAT-UHFFFAOYSA-N 1 2 292.342 3.517 20 30 CHEDLO Cc1cc(NCCc2ccc(C#N)cc2)nc(C2CCC2)[nH+]1 ZINC001163715932 1133168851 /nfs/dbraw/zinc/16/88/51/1133168851.db2.gz VGZXNXVMDUMSCX-UHFFFAOYSA-N 1 2 292.386 3.579 20 30 CHEDLO CN(Cc1ccc(C#N)cc1)c1ccc(C(C)(C)C)c[nH+]1 ZINC001166540111 1133269618 /nfs/dbraw/zinc/26/96/18/1133269618.db2.gz SDJNNEZDAZORRL-UHFFFAOYSA-N 1 2 279.387 3.887 20 30 CHEDLO C#C[C@@H]1CCCN(c2cc(C)c3cccc(C)c3[nH+]2)C1 ZINC001167005641 1133298937 /nfs/dbraw/zinc/29/89/37/1133298937.db2.gz FEIVMUPXMDQCRE-OAHLLOKOSA-N 1 2 264.372 3.701 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203815013 1133374909 /nfs/dbraw/zinc/37/49/09/1133374909.db2.gz ISOXVUFIARYJMD-MRXNPFEDSA-N 1 2 278.355 3.824 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC001203815013 1133374915 /nfs/dbraw/zinc/37/49/15/1133374915.db2.gz ISOXVUFIARYJMD-MRXNPFEDSA-N 1 2 278.355 3.824 20 30 CHEDLO C=CCOc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001204300484 1133432237 /nfs/dbraw/zinc/43/22/37/1133432237.db2.gz SAUIFYUXOMCACH-UHFFFAOYSA-N 1 2 283.346 3.906 20 30 CHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001204300484 1133432240 /nfs/dbraw/zinc/43/22/40/1133432240.db2.gz SAUIFYUXOMCACH-UHFFFAOYSA-N 1 2 283.346 3.906 20 30 CHEDLO CCCCCCCOc1ccc(C[NH+]2CCOCC2)cc1 ZINC001204368044 1133440923 /nfs/dbraw/zinc/44/09/23/1133440923.db2.gz CWRVMAFNDPXSBZ-UHFFFAOYSA-N 1 2 291.435 3.868 20 30 CHEDLO CCCCCCOc1ccc(C[N@H+](C)CCC#N)cc1 ZINC001204364866 1133441867 /nfs/dbraw/zinc/44/18/67/1133441867.db2.gz JTSYJODDXQXWEF-UHFFFAOYSA-N 1 2 274.408 3.991 20 30 CHEDLO CCCCCCOc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001204364866 1133441869 /nfs/dbraw/zinc/44/18/69/1133441869.db2.gz JTSYJODDXQXWEF-UHFFFAOYSA-N 1 2 274.408 3.991 20 30 CHEDLO C=CCC[C@@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205907715 1133628769 /nfs/dbraw/zinc/62/87/69/1133628769.db2.gz NLWRRWWDKZFBDI-OAHLLOKOSA-N 1 2 287.407 3.969 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc2cnccc2o1)c1ccc(Cl)cc1 ZINC001206085135 1133654757 /nfs/dbraw/zinc/65/47/57/1133654757.db2.gz RVRYBBTZRBOVOZ-MRXNPFEDSA-N 1 2 296.757 3.945 20 30 CHEDLO CC(C)=CCCC1=CC[C@H](C[NH+]2CC(C#N)C2)CC1 ZINC001207941509 1133868229 /nfs/dbraw/zinc/86/82/29/1133868229.db2.gz RTRROTUCGWVXRV-INIZCTEOSA-N 1 2 258.409 3.915 20 30 CHEDLO Cc1ccc([C@@H](C)CC[N@H+](CCC#N)Cc2cccnc2)o1 ZINC001208153455 1133889014 /nfs/dbraw/zinc/88/90/14/1133889014.db2.gz ZRRLOFCVJFSSBZ-HNNXBMFYSA-N 1 2 297.402 3.893 20 30 CHEDLO Cc1ccc([C@@H](C)CC[N@@H+](CCC#N)Cc2cccnc2)o1 ZINC001208153455 1133889020 /nfs/dbraw/zinc/88/90/20/1133889020.db2.gz ZRRLOFCVJFSSBZ-HNNXBMFYSA-N 1 2 297.402 3.893 20 30 CHEDLO C#CCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001209269626 1133999455 /nfs/dbraw/zinc/99/94/55/1133999455.db2.gz YCUPMKRFEIRVIL-HNNXBMFYSA-N 1 2 295.348 3.739 20 30 CHEDLO C#CCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001209269626 1133999461 /nfs/dbraw/zinc/99/94/61/1133999461.db2.gz YCUPMKRFEIRVIL-HNNXBMFYSA-N 1 2 295.348 3.739 20 30 CHEDLO C#CCCC[N@@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001209268613 1133999972 /nfs/dbraw/zinc/99/99/72/1133999972.db2.gz OQHBPPLJHLOCHB-MRXNPFEDSA-N 1 2 277.358 3.600 20 30 CHEDLO C#CCCC[N@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001209268613 1133999978 /nfs/dbraw/zinc/99/99/78/1133999978.db2.gz OQHBPPLJHLOCHB-MRXNPFEDSA-N 1 2 277.358 3.600 20 30 CHEDLO C=CCCCCC[NH+]1CCN(CC2CCCC2)CC1 ZINC001209427040 1134017242 /nfs/dbraw/zinc/01/72/42/1134017242.db2.gz DSEBMFOAONSWNF-UHFFFAOYSA-N 1 2 264.457 3.541 20 30 CHEDLO COc1c(Cl)ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001209700433 1134052014 /nfs/dbraw/zinc/05/20/14/1134052014.db2.gz HBAUZUYLGGHHGX-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001209700433 1134052006 /nfs/dbraw/zinc/05/20/06/1134052006.db2.gz HBAUZUYLGGHHGX-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1cc(Nc2ccccc2CC#N)ccc1[NH+](C)C ZINC001210043930 1134132859 /nfs/dbraw/zinc/13/28/59/1134132859.db2.gz UNYYOFFUHOXXEA-UHFFFAOYSA-N 1 2 265.360 3.871 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc([NH+](C)C)c(C)c2)c1 ZINC001210045470 1134134635 /nfs/dbraw/zinc/13/46/35/1134134635.db2.gz UJWZVSOHTKLAAB-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2cccc(OC)c2C#N)cc1 ZINC001210127783 1134153353 /nfs/dbraw/zinc/15/33/53/1134153353.db2.gz NFXMGBIBLWZWLV-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2cccc(OC)c2C#N)cc1 ZINC001210127783 1134153355 /nfs/dbraw/zinc/15/33/55/1134153355.db2.gz NFXMGBIBLWZWLV-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1cccnc1C#N ZINC001210145323 1134156099 /nfs/dbraw/zinc/15/60/99/1134156099.db2.gz GMASCDFFRZTMDM-UHFFFAOYSA-N 1 2 266.348 3.599 20 30 CHEDLO N#Cc1cccc(C#N)c1Nc1cccc2cc[nH+]cc21 ZINC001210230803 1134174072 /nfs/dbraw/zinc/17/40/72/1134174072.db2.gz CZWBGVDMCMTZEK-UHFFFAOYSA-N 1 2 270.295 3.722 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccccc2C#N)cc1 ZINC001210740973 1134286895 /nfs/dbraw/zinc/28/68/95/1134286895.db2.gz CFVHHIFRJALWOR-UHFFFAOYSA-N 1 2 251.333 3.758 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccccc2C#N)cc1 ZINC001210740973 1134286897 /nfs/dbraw/zinc/28/68/97/1134286897.db2.gz CFVHHIFRJALWOR-UHFFFAOYSA-N 1 2 251.333 3.758 20 30 CHEDLO Cc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC001210809995 1134300695 /nfs/dbraw/zinc/30/06/95/1134300695.db2.gz NFZOGGWDSQUYKX-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO Cc1ccc(Nc2ccc(C#N)c(Cl)c2C)[nH+]c1 ZINC001211012788 1134349487 /nfs/dbraw/zinc/34/94/87/1134349487.db2.gz PPGPHQRUSIGUIC-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO N#Cc1cccc(F)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213088045 1134424824 /nfs/dbraw/zinc/42/48/24/1134424824.db2.gz MWAMBZGYBYCSEW-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)c(F)c(C#N)c2)c[nH+]1 ZINC001213518314 1134459162 /nfs/dbraw/zinc/45/91/62/1134459162.db2.gz HJXIUGOMOSPQSX-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cc(Nc2cc(C3CC3)c[nH+]c2C)cnc1C#N ZINC001213494609 1134453956 /nfs/dbraw/zinc/45/39/56/1134453956.db2.gz CTSLMCHCWKSGDA-UHFFFAOYSA-N 1 2 264.332 3.586 20 30 CHEDLO Cc1cc(C)c(Nc2cnc(C#N)c(C(F)(F)F)c2)c[nH+]1 ZINC001213508268 1134458019 /nfs/dbraw/zinc/45/80/19/1134458019.db2.gz OLYBEJBCHPWITH-UHFFFAOYSA-N 1 2 292.264 3.728 20 30 CHEDLO Cc1cc(C)c(Nc2cc(C#N)c(C)cc2C)c[nH+]1 ZINC001213521049 1134459423 /nfs/dbraw/zinc/45/94/23/1134459423.db2.gz QJRJVKBHWDARFN-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO N#Cc1c(Cl)cccc1Nc1cccc2[nH+]ccn21 ZINC001216124390 1134786580 /nfs/dbraw/zinc/78/65/80/1134786580.db2.gz UGJALOBAYKMPTI-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO CCCCCCCCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217855905 1135010116 /nfs/dbraw/zinc/01/01/16/1135010116.db2.gz NRYRNTYJXORYDS-ZDUSSCGKSA-N 1 2 263.372 3.751 20 30 CHEDLO C=C[C@H](OC1C[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC001223308946 1135325256 /nfs/dbraw/zinc/32/52/56/1135325256.db2.gz MYSZCWBOHGGTNY-IBGZPJMESA-N 1 2 279.383 3.815 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+]CC(C)(C)CCC#N ZINC000092119615 260267490 /nfs/dbraw/zinc/26/74/90/260267490.db2.gz BHTTZSUJXZBLBP-UHFFFAOYSA-N 1 2 259.397 3.803 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCC(C)(C)CCC#N ZINC000092119615 260267492 /nfs/dbraw/zinc/26/74/92/260267492.db2.gz BHTTZSUJXZBLBP-UHFFFAOYSA-N 1 2 259.397 3.803 20 30 CHEDLO CSc1ccccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352863672 533058578 /nfs/dbraw/zinc/05/85/78/533058578.db2.gz VWTNCNQRJXWWFT-SNVBAGLBSA-N 1 2 289.429 3.587 20 30 CHEDLO N#CC1(C[NH+]2CCC(c3ncccc3Cl)CC2)CCC1 ZINC000334583180 225016665 /nfs/dbraw/zinc/01/66/65/225016665.db2.gz XTVBOBIDTBBCKW-UHFFFAOYSA-N 1 2 289.810 3.608 20 30 CHEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1C#N ZINC000354857472 227173389 /nfs/dbraw/zinc/17/33/89/227173389.db2.gz ISQUEVQSZITZAI-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1C#N ZINC000354857472 227173393 /nfs/dbraw/zinc/17/33/93/227173393.db2.gz ISQUEVQSZITZAI-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCCC12CCCC2 ZINC000330266550 228085093 /nfs/dbraw/zinc/08/50/93/228085093.db2.gz AFNPTGILHQHBMV-AWEZNQCLSA-N 1 2 275.396 3.720 20 30 CHEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCCC12CCCC2 ZINC000330266550 228085097 /nfs/dbraw/zinc/08/50/97/228085097.db2.gz AFNPTGILHQHBMV-AWEZNQCLSA-N 1 2 275.396 3.720 20 30 CHEDLO CSc1ccc(NC2CCC(C)(C#N)CC2)[nH+]c1 ZINC000336222234 228217369 /nfs/dbraw/zinc/21/73/69/228217369.db2.gz ODKHBNRCCKIQGK-UHFFFAOYSA-N 1 2 261.394 3.688 20 30 CHEDLO CCC(C)(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000447908764 260162465 /nfs/dbraw/zinc/16/24/65/260162465.db2.gz VKWJYSLWSIKNGS-WBVHZDCISA-N 1 2 278.440 3.740 20 30 CHEDLO CCC(C)(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000447908764 260162467 /nfs/dbraw/zinc/16/24/67/260162467.db2.gz VKWJYSLWSIKNGS-WBVHZDCISA-N 1 2 278.440 3.740 20 30 CHEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000037871232 260165364 /nfs/dbraw/zinc/16/53/64/260165364.db2.gz UZKBVDZGWGDRML-RKDXNWHRSA-N 1 2 257.164 3.946 20 30 CHEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844834 260249212 /nfs/dbraw/zinc/24/92/12/260249212.db2.gz IVRIXEUOBZXGBD-OAHLLOKOSA-N 1 2 296.773 3.546 20 30 CHEDLO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844834 260249214 /nfs/dbraw/zinc/24/92/14/260249214.db2.gz IVRIXEUOBZXGBD-OAHLLOKOSA-N 1 2 296.773 3.546 20 30 CHEDLO C=CC[C@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000187726001 260253695 /nfs/dbraw/zinc/25/36/95/260253695.db2.gz NRKZMVQEWFFXEL-HNNXBMFYSA-N 1 2 266.344 3.688 20 30 CHEDLO CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000091983583 260471681 /nfs/dbraw/zinc/47/16/81/260471681.db2.gz ADTKDIKMGLTZPF-JTQLQIEISA-N 1 2 288.288 3.826 20 30 CHEDLO CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000091983583 260471682 /nfs/dbraw/zinc/47/16/82/260471682.db2.gz ADTKDIKMGLTZPF-JTQLQIEISA-N 1 2 288.288 3.826 20 30 CHEDLO CC(C)(C#N)CCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000153252025 261075812 /nfs/dbraw/zinc/07/58/12/261075812.db2.gz ZMIFUEXGYOECKG-UHFFFAOYSA-N 1 2 268.364 3.614 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000104695637 261298177 /nfs/dbraw/zinc/29/81/77/261298177.db2.gz ZPVQZKVMSKPZTN-UHFFFAOYSA-N 1 2 262.784 3.998 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000104695637 261298179 /nfs/dbraw/zinc/29/81/79/261298179.db2.gz ZPVQZKVMSKPZTN-UHFFFAOYSA-N 1 2 262.784 3.998 20 30 CHEDLO CCCOc1c(C[NH2+][C@H](CC)CC#N)cccc1OCC ZINC000184088341 262008124 /nfs/dbraw/zinc/00/81/24/262008124.db2.gz BLEOXHNYMMDXEV-OAHLLOKOSA-N 1 2 290.407 3.656 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc(C)cs1 ZINC000184362118 262018460 /nfs/dbraw/zinc/01/84/60/262018460.db2.gz MUCFSOQWDPGAQV-CQSZACIVSA-N 1 2 289.379 3.703 20 30 CHEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(OCC3CC3)cc2)C1 ZINC000185729232 262068521 /nfs/dbraw/zinc/06/85/21/262068521.db2.gz UXRWFPXOLPLAKS-HOCLYGCPSA-N 1 2 270.376 3.970 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187036171 262121956 /nfs/dbraw/zinc/12/19/56/262121956.db2.gz PVYBAZRCXHYZPM-LBPRGKRZSA-N 1 2 295.477 3.563 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187036171 262121958 /nfs/dbraw/zinc/12/19/58/262121958.db2.gz PVYBAZRCXHYZPM-LBPRGKRZSA-N 1 2 295.477 3.563 20 30 CHEDLO CC1=CCC[C@@H](C)[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000191065527 262189014 /nfs/dbraw/zinc/18/90/14/262189014.db2.gz IZCNJOMGAMRMRI-AEFFLSMTSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000191065527 262189016 /nfs/dbraw/zinc/18/90/16/262189016.db2.gz IZCNJOMGAMRMRI-AEFFLSMTSA-N 1 2 283.419 3.790 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000272572737 263006993 /nfs/dbraw/zinc/00/69/93/263006993.db2.gz PIJVMBAZRQWFLK-ZDUSSCGKSA-N 1 2 270.332 3.663 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000272572737 263006994 /nfs/dbraw/zinc/00/69/94/263006994.db2.gz PIJVMBAZRQWFLK-ZDUSSCGKSA-N 1 2 270.332 3.663 20 30 CHEDLO C[C@@H](CCOCc1ccccc1)/[NH+]=C/c1cccc(O)c1O ZINC000287372727 263101968 /nfs/dbraw/zinc/10/19/68/263101968.db2.gz ZIEGBMBEWAOWQB-BXUJETTOSA-N 1 2 299.370 3.512 20 30 CHEDLO Cc1cc[nH+]cc1CCCNc1ccccc1O[C@@H](C)C#N ZINC000289961408 263113537 /nfs/dbraw/zinc/11/35/37/263113537.db2.gz BGXBWKITGKGUGS-HNNXBMFYSA-N 1 2 295.386 3.726 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000290809570 263118714 /nfs/dbraw/zinc/11/87/14/263118714.db2.gz GBEAAGZEWSHHGT-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)c1C ZINC000291235294 263120840 /nfs/dbraw/zinc/12/08/40/263120840.db2.gz KTYYKRNQMVMECO-NVXWUHKLSA-N 1 2 294.402 3.983 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)c1C ZINC000291235290 263121021 /nfs/dbraw/zinc/12/10/21/263121021.db2.gz KTYYKRNQMVMECO-DOTOQJQBSA-N 1 2 294.402 3.983 20 30 CHEDLO CC(C)(C#N)CCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292754494 263134653 /nfs/dbraw/zinc/13/46/53/263134653.db2.gz ODMCLRSCUYSBGU-ZDUSSCGKSA-N 1 2 266.335 3.912 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293047296 263137575 /nfs/dbraw/zinc/13/75/75/263137575.db2.gz HOKOJVWHWKSRTH-UHFFFAOYSA-N 1 2 294.402 3.518 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293047296 263137576 /nfs/dbraw/zinc/13/75/76/263137576.db2.gz HOKOJVWHWKSRTH-UHFFFAOYSA-N 1 2 294.402 3.518 20 30 CHEDLO CC(=O)c1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000294925761 263169475 /nfs/dbraw/zinc/16/94/75/263169475.db2.gz IRZVYXLJDGMVPV-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO CC(=O)c1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000294925761 263169477 /nfs/dbraw/zinc/16/94/77/263169477.db2.gz IRZVYXLJDGMVPV-UHFFFAOYSA-N 1 2 272.392 3.651 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000299149377 263232169 /nfs/dbraw/zinc/23/21/69/263232169.db2.gz DTLYHGMDLYLUKU-VIFPVBQESA-N 1 2 288.725 3.533 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000299149377 263232170 /nfs/dbraw/zinc/23/21/70/263232170.db2.gz DTLYHGMDLYLUKU-VIFPVBQESA-N 1 2 288.725 3.533 20 30 CHEDLO C=CCC(C)(C)c1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000340786583 263303756 /nfs/dbraw/zinc/30/37/56/263303756.db2.gz DITUCVXDKZITFR-UHFFFAOYSA-N 1 2 285.391 3.555 20 30 CHEDLO C=CCC(C)(C)c1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000340786583 263303760 /nfs/dbraw/zinc/30/37/60/263303760.db2.gz DITUCVXDKZITFR-UHFFFAOYSA-N 1 2 285.391 3.555 20 30 CHEDLO COc1cccc2c(NCC(C)(C)CCC#N)cc[nH+]c12 ZINC000340888531 263312113 /nfs/dbraw/zinc/31/21/13/263312113.db2.gz FLIGYPWIVWBVHR-UHFFFAOYSA-N 1 2 283.375 3.985 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258946 264226049 /nfs/dbraw/zinc/22/60/49/264226049.db2.gz KLTAWUUAVIDBKT-SWLSCSKDSA-N 1 2 270.376 3.671 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000343258946 264226052 /nfs/dbraw/zinc/22/60/52/264226052.db2.gz KLTAWUUAVIDBKT-SWLSCSKDSA-N 1 2 270.376 3.671 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccccc1 ZINC000289289698 264713164 /nfs/dbraw/zinc/71/31/64/264713164.db2.gz AYSHLGJLWINJQX-MRXNPFEDSA-N 1 2 282.387 3.826 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)s1 ZINC000356233711 266078842 /nfs/dbraw/zinc/07/88/42/266078842.db2.gz RXMBIRUILIHVPM-GFCCVEGCSA-N 1 2 289.429 3.722 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)s1 ZINC000356233711 266078843 /nfs/dbraw/zinc/07/88/43/266078843.db2.gz RXMBIRUILIHVPM-GFCCVEGCSA-N 1 2 289.429 3.722 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356390527 266106613 /nfs/dbraw/zinc/10/66/13/266106613.db2.gz ITDVBSCMOYMFMV-UHFFFAOYSA-N 1 2 283.400 3.593 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356390527 266106614 /nfs/dbraw/zinc/10/66/14/266106614.db2.gz ITDVBSCMOYMFMV-UHFFFAOYSA-N 1 2 283.400 3.593 20 30 CHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)C1CC1 ZINC000357552121 266321424 /nfs/dbraw/zinc/32/14/24/266321424.db2.gz KIJLVIXOMIITLC-UHFFFAOYSA-N 1 2 274.389 3.862 20 30 CHEDLO C=CC[N@H+](Cc1csc(-c2ccc(C)o2)n1)C1CC1 ZINC000357552121 266321426 /nfs/dbraw/zinc/32/14/26/266321426.db2.gz KIJLVIXOMIITLC-UHFFFAOYSA-N 1 2 274.389 3.862 20 30 CHEDLO C=CC[N@@H+](Cc1csc(CCCC)n1)C1CC1 ZINC000357550886 266321836 /nfs/dbraw/zinc/32/18/36/266321836.db2.gz HSDKQIQZOHRSAD-UHFFFAOYSA-N 1 2 250.411 3.636 20 30 CHEDLO C=CC[N@H+](Cc1csc(CCCC)n1)C1CC1 ZINC000357550886 266321841 /nfs/dbraw/zinc/32/18/41/266321841.db2.gz HSDKQIQZOHRSAD-UHFFFAOYSA-N 1 2 250.411 3.636 20 30 CHEDLO C=CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000357556997 266322877 /nfs/dbraw/zinc/32/28/77/266322877.db2.gz XHMSFFIYRCJVNK-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000357556997 266322881 /nfs/dbraw/zinc/32/28/81/266322881.db2.gz XHMSFFIYRCJVNK-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000357965473 266391074 /nfs/dbraw/zinc/39/10/74/266391074.db2.gz SUSMNVUFWOQYCF-UHFFFAOYSA-N 1 2 294.354 3.665 20 30 CHEDLO C=CC[C@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000117007571 267199969 /nfs/dbraw/zinc/19/99/69/267199969.db2.gz GDPVAVGDNPNQOH-ZDUSSCGKSA-N 1 2 297.358 3.960 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000376621673 268002697 /nfs/dbraw/zinc/00/26/97/268002697.db2.gz GIHQVHZVCWMRHS-GFCCVEGCSA-N 1 2 283.375 3.926 20 30 CHEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCCO3)C1 ZINC000185888302 327849809 /nfs/dbraw/zinc/84/98/09/327849809.db2.gz QOICXPXJJXADQW-JSGCOSHPSA-N 1 2 256.349 3.506 20 30 CHEDLO C=CCC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000563217580 327977825 /nfs/dbraw/zinc/97/78/25/327977825.db2.gz NTODRFIFULRNRD-DOTOQJQBSA-N 1 2 297.402 3.658 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767716 328099170 /nfs/dbraw/zinc/09/91/70/328099170.db2.gz OJJZRMIEEYXESX-NHYWBVRUSA-N 1 2 282.309 3.528 20 30 CHEDLO C[C@@H](CCC#N)[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767716 328099171 /nfs/dbraw/zinc/09/91/71/328099171.db2.gz OJJZRMIEEYXESX-NHYWBVRUSA-N 1 2 282.309 3.528 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1Cl ZINC000339555705 327013735 /nfs/dbraw/zinc/01/37/35/327013735.db2.gz NBBDDFVXRLWOBC-SECBINFHSA-N 1 2 277.780 3.519 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccco2)s1 ZINC000559125670 327142471 /nfs/dbraw/zinc/14/24/71/327142471.db2.gz CJMLHBDPYSIKRB-UHFFFAOYSA-N 1 2 275.377 3.527 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccco2)s1 ZINC000559125670 327142473 /nfs/dbraw/zinc/14/24/73/327142473.db2.gz CJMLHBDPYSIKRB-UHFFFAOYSA-N 1 2 275.377 3.527 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000151044519 327418835 /nfs/dbraw/zinc/41/88/35/327418835.db2.gz KNCOZTLBQUUFQF-UHFFFAOYSA-N 1 2 283.375 3.589 20 30 CHEDLO COc1cc(C)[nH+]c(COc2cc(Cl)ccc2C#N)c1 ZINC000168879765 327487404 /nfs/dbraw/zinc/48/74/04/327487404.db2.gz BSFBOSCTXUOGJI-UHFFFAOYSA-N 1 2 288.734 3.503 20 30 CHEDLO CC(C)COc1ccccc1CNc1cc(CC#N)cc[nH+]1 ZINC000562781693 327514614 /nfs/dbraw/zinc/51/46/14/327514614.db2.gz LHMLSBLALHQMIA-UHFFFAOYSA-N 1 2 295.386 3.795 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000173549461 329149087 /nfs/dbraw/zinc/14/90/87/329149087.db2.gz KMIROSMPGHRRMQ-UHFFFAOYSA-N 1 2 287.382 3.849 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000173549461 329149089 /nfs/dbraw/zinc/14/90/89/329149089.db2.gz KMIROSMPGHRRMQ-UHFFFAOYSA-N 1 2 287.382 3.849 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000177189203 329181700 /nfs/dbraw/zinc/18/17/00/329181700.db2.gz AYVFRAGMPSFWBC-UHFFFAOYSA-N 1 2 275.355 3.571 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000177189203 329181701 /nfs/dbraw/zinc/18/17/01/329181701.db2.gz AYVFRAGMPSFWBC-UHFFFAOYSA-N 1 2 275.355 3.571 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000184094123 329256219 /nfs/dbraw/zinc/25/62/19/329256219.db2.gz WDUOSNZBGCZEDD-ZDUSSCGKSA-N 1 2 271.389 3.592 20 30 CHEDLO N#Cc1ccc(CNc2c[nH+]c3c(c2)CCCC3)cc1F ZINC000421350907 329815183 /nfs/dbraw/zinc/81/51/83/329815183.db2.gz YYZFADKQUHYKGD-UHFFFAOYSA-N 1 2 281.334 3.583 20 30 CHEDLO C=CCCc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571926924 329929843 /nfs/dbraw/zinc/92/98/43/329929843.db2.gz JBLKINKBKUKPPJ-CQSZACIVSA-N 1 2 283.375 3.592 20 30 CHEDLO Fc1ccc(C#CC[NH2+]C2(C(F)F)CCCCC2)cc1 ZINC000510079850 332891252 /nfs/dbraw/zinc/89/12/52/332891252.db2.gz QDFNRBTUBWKVMW-UHFFFAOYSA-N 1 2 281.321 3.735 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000266772839 330064156 /nfs/dbraw/zinc/06/41/56/330064156.db2.gz WCIYSTAMEDVQJS-AWEZNQCLSA-N 1 2 283.375 3.758 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000271714984 330081908 /nfs/dbraw/zinc/08/19/08/330081908.db2.gz OYTRLEQQRGBPHB-HNNXBMFYSA-N 1 2 282.387 3.826 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nnc(C)n1CCC)Cc1ccccc1 ZINC000279435420 330123436 /nfs/dbraw/zinc/12/34/36/330123436.db2.gz YDIISRXEMFLZCG-UHFFFAOYSA-N 1 2 298.434 3.575 20 30 CHEDLO C=C(C)C[N@H+](Cc1nnc(C)n1CCC)Cc1ccccc1 ZINC000279435420 330123438 /nfs/dbraw/zinc/12/34/38/330123438.db2.gz YDIISRXEMFLZCG-UHFFFAOYSA-N 1 2 298.434 3.575 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300920 330217021 /nfs/dbraw/zinc/21/70/21/330217021.db2.gz FOTIGKSRTLIOSO-ZFWWWQNUSA-N 1 2 287.794 3.573 20 30 CHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300920 330217022 /nfs/dbraw/zinc/21/70/22/330217022.db2.gz FOTIGKSRTLIOSO-ZFWWWQNUSA-N 1 2 287.794 3.573 20 30 CHEDLO CC(C)Oc1ccc(C#N)cc1NCc1c[nH+]cn1C(C)C ZINC000424172572 330312744 /nfs/dbraw/zinc/31/27/44/330312744.db2.gz NDRKAWHGMHQGPQ-UHFFFAOYSA-N 1 2 298.390 3.735 20 30 CHEDLO Cc1c(Cl)c(C[NH+]2CCC(C#N)CC2)nc2ccccc12 ZINC000057875972 330379634 /nfs/dbraw/zinc/37/96/34/330379634.db2.gz SSAZINXCFXGBMN-UHFFFAOYSA-N 1 2 299.805 3.932 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432739673 330605071 /nfs/dbraw/zinc/60/50/71/330605071.db2.gz AKVHVJGSXDEVKC-UHFFFAOYSA-N 1 2 261.312 3.919 20 30 CHEDLO N#Cc1ccccc1SCc1[nH+]ccn1CC(F)(F)F ZINC000439714849 330742338 /nfs/dbraw/zinc/74/23/38/330742338.db2.gz CHFFDOKEVUGOBG-UHFFFAOYSA-N 1 2 297.305 3.609 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449241908 330908933 /nfs/dbraw/zinc/90/89/33/330908933.db2.gz CZNOJAIRSFPLIJ-OAHLLOKOSA-N 1 2 299.443 3.710 20 30 CHEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]ccc2c(OC)cccc21 ZINC000450501476 330984004 /nfs/dbraw/zinc/98/40/04/330984004.db2.gz PRVHWXRYUGQUDY-SUMWQHHRSA-N 1 2 298.386 3.637 20 30 CHEDLO N#CC1(C[NH+]2CCC(c3c(F)cccc3F)CC2)CCC1 ZINC000450769653 330999080 /nfs/dbraw/zinc/99/90/80/330999080.db2.gz YAUNOZLGIAHXLY-UHFFFAOYSA-N 1 2 290.357 3.838 20 30 CHEDLO C=CC1CC[NH+](Cc2noc(C3CCCCC3)n2)CC1 ZINC000163405754 331034600 /nfs/dbraw/zinc/03/46/00/331034600.db2.gz MKQAAECBENEQOL-UHFFFAOYSA-N 1 2 275.396 3.515 20 30 CHEDLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 ZINC000453288958 331111552 /nfs/dbraw/zinc/11/15/52/331111552.db2.gz MBULJEDMPZMACK-GWCFXTLKSA-N 1 2 252.308 3.643 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F ZINC000453299591 331112889 /nfs/dbraw/zinc/11/28/89/331112889.db2.gz UWROSOZQMPQFFH-NHYWBVRUSA-N 1 2 278.346 3.959 20 30 CHEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccco1 ZINC000453332547 331117841 /nfs/dbraw/zinc/11/78/41/331117841.db2.gz AXQHVAUELXKXHI-MELADBBJSA-N 1 2 271.364 3.779 20 30 CHEDLO COc1ccc(-c2[nH]c3cc(C)c(C)cc3[nH+]2)cc1C#N ZINC000463910053 331353479 /nfs/dbraw/zinc/35/34/79/331353479.db2.gz ZQYIGMQLMJXHJM-UHFFFAOYSA-N 1 2 277.327 3.727 20 30 CHEDLO Cc1ccc2[nH+]c(CNc3ccc(Cl)cc3C#N)cn2c1 ZINC000511360168 332930825 /nfs/dbraw/zinc/93/08/25/332930825.db2.gz NRXHSARVMBUTFC-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489210946 332043464 /nfs/dbraw/zinc/04/34/64/332043464.db2.gz CKFIJWZQRJDGBQ-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489210946 332043466 /nfs/dbraw/zinc/04/34/66/332043466.db2.gz CKFIJWZQRJDGBQ-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC000489425499 332051517 /nfs/dbraw/zinc/05/15/17/332051517.db2.gz LUFZKPGWLQWBDI-ZDUSSCGKSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000489425499 332051518 /nfs/dbraw/zinc/05/15/18/332051518.db2.gz LUFZKPGWLQWBDI-ZDUSSCGKSA-N 1 2 274.389 3.944 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(F)cc1 ZINC000491496826 332223388 /nfs/dbraw/zinc/22/33/88/332223388.db2.gz TZJSUJQOJPAHJV-OAHLLOKOSA-N 1 2 286.375 3.624 20 30 CHEDLO C#C[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000491689909 332287172 /nfs/dbraw/zinc/28/71/72/332287172.db2.gz KXQZZSLXQJWRJO-DOMZBBRYSA-N 1 2 270.763 3.760 20 30 CHEDLO Cc1ccc(CCNc2cccc(C(F)F)c2C#N)[nH+]c1 ZINC000575762251 335113223 /nfs/dbraw/zinc/11/32/23/335113223.db2.gz NAXMSOPVRKTPRI-UHFFFAOYSA-N 1 2 287.313 3.854 20 30 CHEDLO C=C(C)CC[NH2+][C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000512237105 332959466 /nfs/dbraw/zinc/95/94/66/332959466.db2.gz MRUVLAIULDBMPL-INIZCTEOSA-N 1 2 295.810 3.674 20 30 CHEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175451264 333025138 /nfs/dbraw/zinc/02/51/38/333025138.db2.gz VSCLSPCFNRINHL-CQSZACIVSA-N 1 2 285.309 3.655 20 30 CHEDLO C=C(C)C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175451264 333025139 /nfs/dbraw/zinc/02/51/39/333025139.db2.gz VSCLSPCFNRINHL-CQSZACIVSA-N 1 2 285.309 3.655 20 30 CHEDLO Cc1cc(OCC[N@@H+](C)C[C@H](C)C#N)ccc1C(C)C ZINC000513963348 333055420 /nfs/dbraw/zinc/05/54/20/333055420.db2.gz PHENLVUPWXMAJV-CQSZACIVSA-N 1 2 274.408 3.589 20 30 CHEDLO Cc1cc(OCC[N@H+](C)C[C@H](C)C#N)ccc1C(C)C ZINC000513963348 333055421 /nfs/dbraw/zinc/05/54/21/333055421.db2.gz PHENLVUPWXMAJV-CQSZACIVSA-N 1 2 274.408 3.589 20 30 CHEDLO CC(C)Oc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545220341 333970581 /nfs/dbraw/zinc/97/05/81/333970581.db2.gz CVBNNTOYUQDQSU-UHFFFAOYSA-N 1 2 281.359 3.547 20 30 CHEDLO CCC[N@@H+](CC#N)CCCc1ccc(Cl)cc1 ZINC000077268822 334100884 /nfs/dbraw/zinc/10/08/84/334100884.db2.gz XGNRXHJYVHDZIB-UHFFFAOYSA-N 1 2 250.773 3.508 20 30 CHEDLO CCC[N@H+](CC#N)CCCc1ccc(Cl)cc1 ZINC000077268822 334100886 /nfs/dbraw/zinc/10/08/86/334100886.db2.gz XGNRXHJYVHDZIB-UHFFFAOYSA-N 1 2 250.773 3.508 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)o1 ZINC000135135398 334117181 /nfs/dbraw/zinc/11/71/81/334117181.db2.gz UAICSPMNHUCJDI-QGZVFWFLSA-N 1 2 278.311 3.623 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000549748044 334203574 /nfs/dbraw/zinc/20/35/74/334203574.db2.gz LKQWFZLTWKCTCH-UHFFFAOYSA-N 1 2 273.424 3.749 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000549748044 334203576 /nfs/dbraw/zinc/20/35/76/334203576.db2.gz LKQWFZLTWKCTCH-UHFFFAOYSA-N 1 2 273.424 3.749 20 30 CHEDLO CC#CC[N@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000550127436 334213924 /nfs/dbraw/zinc/21/39/24/334213924.db2.gz AKAMARITLOEOLH-UHFFFAOYSA-N 1 2 262.422 3.646 20 30 CHEDLO CC#CC[N@@H+](C)Cc1csc(C2CCCCC2)n1 ZINC000550127436 334213925 /nfs/dbraw/zinc/21/39/25/334213925.db2.gz AKAMARITLOEOLH-UHFFFAOYSA-N 1 2 262.422 3.646 20 30 CHEDLO C=CCCCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000550158114 334214654 /nfs/dbraw/zinc/21/46/54/334214654.db2.gz SYWPOMMTASTDSY-UHFFFAOYSA-N 1 2 281.403 3.934 20 30 CHEDLO C=CCCCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000550158114 334214655 /nfs/dbraw/zinc/21/46/55/334214655.db2.gz SYWPOMMTASTDSY-UHFFFAOYSA-N 1 2 281.403 3.934 20 30 CHEDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@H](C)C#N ZINC000248641655 334310452 /nfs/dbraw/zinc/31/04/52/334310452.db2.gz RJUHARRRKIXVRK-ZIAGYGMSSA-N 1 2 291.414 3.557 20 30 CHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000552351008 334319586 /nfs/dbraw/zinc/31/95/86/334319586.db2.gz KSAIBHIKQFJSJM-QMMMGPOBSA-N 1 2 288.203 3.588 20 30 CHEDLO C=C(Br)C[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000269610069 334727152 /nfs/dbraw/zinc/72/71/52/334727152.db2.gz DXVJPYVTMZMOIO-NSHDSACASA-N 1 2 289.242 3.575 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1c(F)cccc1Cl ZINC000177713193 335380965 /nfs/dbraw/zinc/38/09/65/335380965.db2.gz JLPQXQYSIFERLF-VIFPVBQESA-N 1 2 278.714 3.795 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1nc(C)cs1 ZINC000184391961 335924679 /nfs/dbraw/zinc/92/46/79/335924679.db2.gz QZQMYSIRVCMNIH-CQSZACIVSA-N 1 2 289.379 3.703 20 30 CHEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 ZINC000184454813 335926532 /nfs/dbraw/zinc/92/65/32/335926532.db2.gz QRAAMKGZNAETRW-VXGBXAGGSA-N 1 2 290.436 3.535 20 30 CHEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1Cl ZINC000581831777 336149155 /nfs/dbraw/zinc/14/91/55/336149155.db2.gz FICRFPAJGXUGAN-CYBMUJFWSA-N 1 2 283.774 3.839 20 30 CHEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1Cl ZINC000581831777 336149157 /nfs/dbraw/zinc/14/91/57/336149157.db2.gz FICRFPAJGXUGAN-CYBMUJFWSA-N 1 2 283.774 3.839 20 30 CHEDLO C[C@H](CC[N@H+](CC#N)C1CCCC1)OCc1ccccc1 ZINC000354904197 533894094 /nfs/dbraw/zinc/89/40/94/533894094.db2.gz AVCABJSXTZKULU-MRXNPFEDSA-N 1 2 286.419 3.750 20 30 CHEDLO C[C@H](CC[N@@H+](CC#N)C1CCCC1)OCc1ccccc1 ZINC000354904197 533894101 /nfs/dbraw/zinc/89/41/01/533894101.db2.gz AVCABJSXTZKULU-MRXNPFEDSA-N 1 2 286.419 3.750 20 30 CHEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356090643 534086576 /nfs/dbraw/zinc/08/65/76/534086576.db2.gz RZXQMAQBVHLEHL-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356090643 534086582 /nfs/dbraw/zinc/08/65/82/534086582.db2.gz RZXQMAQBVHLEHL-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1cccnc1 ZINC000292762756 520476701 /nfs/dbraw/zinc/47/67/01/520476701.db2.gz JPKJAMNMSIZYRI-QGZVFWFLSA-N 1 2 295.361 3.675 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1c1cccnc1 ZINC000292762756 520476708 /nfs/dbraw/zinc/47/67/08/520476708.db2.gz JPKJAMNMSIZYRI-QGZVFWFLSA-N 1 2 295.361 3.675 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@H]3CCC(C)(C)C3)ccc2[nH+]1 ZINC000329067049 534513039 /nfs/dbraw/zinc/51/30/39/534513039.db2.gz LSKUBUIRQVWSAP-LBPRGKRZSA-N 1 2 286.379 3.547 20 30 CHEDLO COc1cc[nH+]cc1CS[C@H](C)c1ccc(C#N)cc1 ZINC000289391725 524860741 /nfs/dbraw/zinc/86/07/41/524860741.db2.gz LXLTUABFXRAOGH-GFCCVEGCSA-N 1 2 284.384 3.956 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)o1 ZINC000130847613 526111609 /nfs/dbraw/zinc/11/16/09/526111609.db2.gz TYGMNADNVFWJDC-LLVKDONJSA-N 1 2 274.751 3.998 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000130847613 526111617 /nfs/dbraw/zinc/11/16/17/526111617.db2.gz TYGMNADNVFWJDC-LLVKDONJSA-N 1 2 274.751 3.998 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nccn1CC(C)C)c1ccco1 ZINC000356093589 527487115 /nfs/dbraw/zinc/48/71/15/527487115.db2.gz OQPKAOYLIGTQAJ-HNNXBMFYSA-N 1 2 287.407 3.929 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(CSC)s1 ZINC000353231277 527605392 /nfs/dbraw/zinc/60/53/92/527605392.db2.gz IMVMUQKIMXEBID-NSHDSACASA-N 1 2 268.451 3.547 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(CSC)s1 ZINC000353231277 527605395 /nfs/dbraw/zinc/60/53/95/527605395.db2.gz IMVMUQKIMXEBID-NSHDSACASA-N 1 2 268.451 3.547 20 30 CHEDLO Cc1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000271799847 1122176729 /nfs/dbraw/zinc/17/67/29/1122176729.db2.gz PBXPMCCQWKVZMS-AWEZNQCLSA-N 1 2 271.389 3.586 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(C#N)c1O ZINC000883259988 1125387238 /nfs/dbraw/zinc/38/72/38/1125387238.db2.gz GTFSJHMDHBUNAB-JTQLQIEISA-N 1 2 282.334 3.596 20 30 CHEDLO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173262088 1132430801 /nfs/dbraw/zinc/43/08/01/1132430801.db2.gz RXPQGVCKQYLOKM-LSDHHAIUSA-N 1 2 281.465 3.865 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000533599055 1125619171 /nfs/dbraw/zinc/61/91/71/1125619171.db2.gz KMFRXCAGORLBHY-NSHDSACASA-N 1 2 298.308 3.709 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000533599055 1125619174 /nfs/dbraw/zinc/61/91/74/1125619174.db2.gz KMFRXCAGORLBHY-NSHDSACASA-N 1 2 298.308 3.709 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000161926201 1125716657 /nfs/dbraw/zinc/71/66/57/1125716657.db2.gz CIBIDSHCXOXHTH-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000161926201 1125716662 /nfs/dbraw/zinc/71/66/62/1125716662.db2.gz CIBIDSHCXOXHTH-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO Cc1ccc(SCC[N@@H+](C)[C@H](C)CC#N)cc1C ZINC000161994275 1125719190 /nfs/dbraw/zinc/71/91/90/1125719190.db2.gz PYKPKKKMJGUTNR-CQSZACIVSA-N 1 2 262.422 3.630 20 30 CHEDLO Cc1ccc(SCC[N@H+](C)[C@H](C)CC#N)cc1C ZINC000161994275 1125719198 /nfs/dbraw/zinc/71/91/98/1125719198.db2.gz PYKPKKKMJGUTNR-CQSZACIVSA-N 1 2 262.422 3.630 20 30 CHEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1Oc1cccnc1 ZINC000093090873 1125763625 /nfs/dbraw/zinc/76/36/25/1125763625.db2.gz UYELKRJWPOUJBX-OAHLLOKOSA-N 1 2 295.386 3.916 20 30 CHEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1Oc1cccnc1 ZINC000093090873 1125763631 /nfs/dbraw/zinc/76/36/31/1125763631.db2.gz UYELKRJWPOUJBX-OAHLLOKOSA-N 1 2 295.386 3.916 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000338359599 1126738109 /nfs/dbraw/zinc/73/81/09/1126738109.db2.gz QMSHPRUBQSZFPF-NSHDSACASA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000338359599 1126738111 /nfs/dbraw/zinc/73/81/11/1126738111.db2.gz QMSHPRUBQSZFPF-NSHDSACASA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000338383282 1126739288 /nfs/dbraw/zinc/73/92/88/1126739288.db2.gz PVQAOFURMQPOIG-LLVKDONJSA-N 1 2 293.208 3.573 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000338383282 1126739290 /nfs/dbraw/zinc/73/92/90/1126739290.db2.gz PVQAOFURMQPOIG-LLVKDONJSA-N 1 2 293.208 3.573 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000483072622 1126766609 /nfs/dbraw/zinc/76/66/09/1126766609.db2.gz WJHREIFMOVFGNN-ACJLOTCBSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000483072622 1126766613 /nfs/dbraw/zinc/76/66/13/1126766613.db2.gz WJHREIFMOVFGNN-ACJLOTCBSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483542298 1126791953 /nfs/dbraw/zinc/79/19/53/1126791953.db2.gz IYXMWKSQVUCWTC-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483542298 1126791956 /nfs/dbraw/zinc/79/19/56/1126791956.db2.gz IYXMWKSQVUCWTC-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365871 1126910462 /nfs/dbraw/zinc/91/04/62/1126910462.db2.gz HCEYLURKICGDNF-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365871 1126910463 /nfs/dbraw/zinc/91/04/63/1126910463.db2.gz HCEYLURKICGDNF-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)s1)Cc1ccccc1C#N ZINC000042211276 1127033193 /nfs/dbraw/zinc/03/31/93/1127033193.db2.gz ZUJLOQHTMKVQKE-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccccc1C#N ZINC000042211276 1127033195 /nfs/dbraw/zinc/03/31/95/1127033195.db2.gz ZUJLOQHTMKVQKE-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO CC(C)[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000270602689 1127058950 /nfs/dbraw/zinc/05/89/50/1127058950.db2.gz LWVAOMPBJMIUGI-UHFFFAOYSA-N 1 2 295.386 3.834 20 30 CHEDLO CC(C)[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000270602689 1127058953 /nfs/dbraw/zinc/05/89/53/1127058953.db2.gz LWVAOMPBJMIUGI-UHFFFAOYSA-N 1 2 295.386 3.834 20 30 CHEDLO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000349758632 1127159190 /nfs/dbraw/zinc/15/91/90/1127159190.db2.gz NJHUPLKZZNTXHW-CVEARBPZSA-N 1 2 282.391 3.506 20 30 CHEDLO N#CCC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000589990916 1127243685 /nfs/dbraw/zinc/24/36/85/1127243685.db2.gz NSPSECRQYCQSPJ-GOSISDBHSA-N 1 2 293.345 3.832 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000354034016 1127287510 /nfs/dbraw/zinc/28/75/10/1127287510.db2.gz OIWMZEHJXRRGEU-JTQLQIEISA-N 1 2 266.747 3.603 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000354034016 1127287514 /nfs/dbraw/zinc/28/75/14/1127287514.db2.gz OIWMZEHJXRRGEU-JTQLQIEISA-N 1 2 266.747 3.603 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000045914488 1127309653 /nfs/dbraw/zinc/30/96/53/1127309653.db2.gz HNNKUCBBQXSIKX-UHFFFAOYSA-N 1 2 268.360 3.824 20 30 CHEDLO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)C(F)(F)F)c(O)c1 ZINC000818991507 1131224690 /nfs/dbraw/zinc/22/46/90/1131224690.db2.gz FZPSARNAHOLRSE-OAOMGELKSA-N 1 2 288.313 3.608 20 30 CHEDLO CC(C)[N@H+](Cc1ccncc1C#N)[C@H](C)c1ccsc1 ZINC000592125476 1127337549 /nfs/dbraw/zinc/33/75/49/1127337549.db2.gz YVHGRTXUUCTVJS-CYBMUJFWSA-N 1 2 285.416 3.986 20 30 CHEDLO CC(C)[N@@H+](Cc1ccncc1C#N)[C@H](C)c1ccsc1 ZINC000592125476 1127337554 /nfs/dbraw/zinc/33/75/54/1127337554.db2.gz YVHGRTXUUCTVJS-CYBMUJFWSA-N 1 2 285.416 3.986 20 30 CHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072379 1127334373 /nfs/dbraw/zinc/33/43/73/1127334373.db2.gz JLFMAVXDCCVBTG-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072379 1127334376 /nfs/dbraw/zinc/33/43/76/1127334376.db2.gz JLFMAVXDCCVBTG-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccncc1C#N ZINC000592066229 1127335317 /nfs/dbraw/zinc/33/53/17/1127335317.db2.gz RUULOYZKGIVUQC-UHFFFAOYSA-N 1 2 283.350 3.505 20 30 CHEDLO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccncc1C#N ZINC000592066229 1127335322 /nfs/dbraw/zinc/33/53/22/1127335322.db2.gz RUULOYZKGIVUQC-UHFFFAOYSA-N 1 2 283.350 3.505 20 30 CHEDLO C[C@H](C#N)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000593615191 1127391274 /nfs/dbraw/zinc/39/12/74/1127391274.db2.gz NIPVDASZGGZFDO-KGLIPLIRSA-N 1 2 265.360 3.559 20 30 CHEDLO COc1ccc(C[NH2+]CC2(C#N)CCCC2)c(Cl)c1 ZINC000593649811 1127392032 /nfs/dbraw/zinc/39/20/32/1127392032.db2.gz KHOYFFKRHSOHQX-UHFFFAOYSA-N 1 2 278.783 3.522 20 30 CHEDLO N#CC1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCCC1 ZINC000593653786 1127392718 /nfs/dbraw/zinc/39/27/18/1127392718.db2.gz XVVQTMQICIEWNQ-UHFFFAOYSA-N 1 2 297.427 3.984 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(C)C)ccc1OC ZINC000594008365 1127407186 /nfs/dbraw/zinc/40/71/86/1127407186.db2.gz QGVDIRPDAXWLKC-OAHLLOKOSA-N 1 2 260.381 3.600 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000358288702 1127413499 /nfs/dbraw/zinc/41/34/99/1127413499.db2.gz OKWJIUZGVHRIBT-INIZCTEOSA-N 1 2 296.418 3.778 20 30 CHEDLO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(F)F ZINC000594522160 1127421582 /nfs/dbraw/zinc/42/15/82/1127421582.db2.gz YKVJEUTZVPVTBA-ZDUSSCGKSA-N 1 2 266.335 3.621 20 30 CHEDLO C=C(CC)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000358634616 1127429289 /nfs/dbraw/zinc/42/92/89/1127429289.db2.gz SIACVQSJMIKXTO-UHFFFAOYSA-N 1 2 258.340 3.631 20 30 CHEDLO C=C(CC)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000358634616 1127429290 /nfs/dbraw/zinc/42/92/90/1127429290.db2.gz SIACVQSJMIKXTO-UHFFFAOYSA-N 1 2 258.340 3.631 20 30 CHEDLO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1F ZINC000594968478 1127441160 /nfs/dbraw/zinc/44/11/60/1127441160.db2.gz HHCSXUMEMVPLQE-HNNXBMFYSA-N 1 2 289.379 3.641 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2F)CCCCC1 ZINC000594996418 1127444548 /nfs/dbraw/zinc/44/45/48/1127444548.db2.gz ZTSJCBGWZXBDMA-UHFFFAOYSA-N 1 2 264.319 3.528 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000595613722 1127470506 /nfs/dbraw/zinc/47/05/06/1127470506.db2.gz GSEGHKNVJNMJES-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000595613722 1127470507 /nfs/dbraw/zinc/47/05/07/1127470507.db2.gz GSEGHKNVJNMJES-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000595610440 1127470573 /nfs/dbraw/zinc/47/05/73/1127470573.db2.gz YRSPSCCIBKHSGX-CYBMUJFWSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000595610440 1127470575 /nfs/dbraw/zinc/47/05/75/1127470575.db2.gz YRSPSCCIBKHSGX-CYBMUJFWSA-N 1 2 299.349 3.606 20 30 CHEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCCCC#N ZINC000595767993 1127474578 /nfs/dbraw/zinc/47/45/78/1127474578.db2.gz VVKDOKODWVJHPN-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCCCC#N ZINC000595767993 1127474579 /nfs/dbraw/zinc/47/45/79/1127474579.db2.gz VVKDOKODWVJHPN-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO CC[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)[C@H](C)C#N ZINC000595818432 1127475933 /nfs/dbraw/zinc/47/59/33/1127475933.db2.gz NOZSUSIRHCKDDJ-BFYDXBDKSA-N 1 2 256.393 3.804 20 30 CHEDLO CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)[C@H](C)C#N ZINC000595818432 1127475935 /nfs/dbraw/zinc/47/59/35/1127475935.db2.gz NOZSUSIRHCKDDJ-BFYDXBDKSA-N 1 2 256.393 3.804 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000595839300 1127477331 /nfs/dbraw/zinc/47/73/31/1127477331.db2.gz HNKCQSCNPDTGKP-GOSISDBHSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000595839300 1127477332 /nfs/dbraw/zinc/47/73/32/1127477332.db2.gz HNKCQSCNPDTGKP-GOSISDBHSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000595844445 1127477989 /nfs/dbraw/zinc/47/79/89/1127477989.db2.gz SSKKBSDTSRKQSR-MPNWYJEXSA-N 1 2 260.768 3.589 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000595844445 1127477990 /nfs/dbraw/zinc/47/79/90/1127477990.db2.gz SSKKBSDTSRKQSR-MPNWYJEXSA-N 1 2 260.768 3.589 20 30 CHEDLO CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597174245 1127531557 /nfs/dbraw/zinc/53/15/57/1127531557.db2.gz ONENMYZRJLQSCB-HNNXBMFYSA-N 1 2 296.418 3.572 20 30 CHEDLO CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597174245 1127531559 /nfs/dbraw/zinc/53/15/59/1127531559.db2.gz ONENMYZRJLQSCB-HNNXBMFYSA-N 1 2 296.418 3.572 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@H]1c1ccncc1 ZINC000293972140 1127537967 /nfs/dbraw/zinc/53/79/67/1127537967.db2.gz QQZSYYKUQOXWQJ-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@H]1c1ccncc1 ZINC000293972140 1127537971 /nfs/dbraw/zinc/53/79/71/1127537971.db2.gz QQZSYYKUQOXWQJ-HNNXBMFYSA-N 1 2 283.400 3.598 20 30 CHEDLO CCC[N@@H+](CC#N)CCCCCn1c(C)nc2ccccc21 ZINC000361313381 1127556040 /nfs/dbraw/zinc/55/60/40/1127556040.db2.gz JZGPXOCFMWEDQJ-UHFFFAOYSA-N 1 2 298.434 3.751 20 30 CHEDLO CCC[N@H+](CC#N)CCCCCn1c(C)nc2ccccc21 ZINC000361313381 1127556043 /nfs/dbraw/zinc/55/60/43/1127556043.db2.gz JZGPXOCFMWEDQJ-UHFFFAOYSA-N 1 2 298.434 3.751 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1C[C@H]1c1ccccc1 ZINC000361316881 1127556077 /nfs/dbraw/zinc/55/60/77/1127556077.db2.gz WNHNQSAKXIFJIT-AEFFLSMTSA-N 1 2 280.371 3.799 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1C[C@H]1c1ccccc1 ZINC000361316881 1127556079 /nfs/dbraw/zinc/55/60/79/1127556079.db2.gz WNHNQSAKXIFJIT-AEFFLSMTSA-N 1 2 280.371 3.799 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000602005245 1127556591 /nfs/dbraw/zinc/55/65/91/1127556591.db2.gz PGBRVXKERFBTNJ-BXUZGUMPSA-N 1 2 284.334 3.704 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC1(CC#N)CC1 ZINC000602789480 1127613845 /nfs/dbraw/zinc/61/38/45/1127613845.db2.gz VSMVGRLYFQOHFN-LLVKDONJSA-N 1 2 276.330 3.578 20 30 CHEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602789480 1127613848 /nfs/dbraw/zinc/61/38/48/1127613848.db2.gz VSMVGRLYFQOHFN-LLVKDONJSA-N 1 2 276.330 3.578 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982140 1127624164 /nfs/dbraw/zinc/62/41/64/1127624164.db2.gz OBWREVHXBGTAGX-KDOFPFPSSA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982140 1127624166 /nfs/dbraw/zinc/62/41/66/1127624166.db2.gz OBWREVHXBGTAGX-KDOFPFPSSA-N 1 2 285.435 3.891 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975771 1127625130 /nfs/dbraw/zinc/62/51/30/1127625130.db2.gz HCEBMTZMSYLYDT-ZBFHGGJFSA-N 1 2 272.392 3.598 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975771 1127625133 /nfs/dbraw/zinc/62/51/33/1127625133.db2.gz HCEBMTZMSYLYDT-ZBFHGGJFSA-N 1 2 272.392 3.598 20 30 CHEDLO CCC(F)(F)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000599069373 1127654975 /nfs/dbraw/zinc/65/49/75/1127654975.db2.gz XZITXFGKBCTEJG-AWEZNQCLSA-N 1 2 264.319 3.571 20 30 CHEDLO CC[C@@H](Nc1cc(COC)cc[nH+]1)c1ccc(C#N)cc1 ZINC000593726341 1127667572 /nfs/dbraw/zinc/66/75/72/1127667572.db2.gz YJKZRCMPDQVUOF-MRXNPFEDSA-N 1 2 281.359 3.663 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000599470779 1127673055 /nfs/dbraw/zinc/67/30/55/1127673055.db2.gz WMVWKLDNOBNLNX-CYBMUJFWSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000599470779 1127673057 /nfs/dbraw/zinc/67/30/57/1127673057.db2.gz WMVWKLDNOBNLNX-CYBMUJFWSA-N 1 2 299.349 3.606 20 30 CHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536932 1127678953 /nfs/dbraw/zinc/67/89/53/1127678953.db2.gz XJQSONWNEFFQRU-UHFFFAOYSA-N 1 2 292.382 3.709 20 30 CHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536932 1127678955 /nfs/dbraw/zinc/67/89/55/1127678955.db2.gz XJQSONWNEFFQRU-UHFFFAOYSA-N 1 2 292.382 3.709 20 30 CHEDLO CC(C)Oc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028840 1127770421 /nfs/dbraw/zinc/77/04/21/1127770421.db2.gz ZKGJDGVRAGPAQE-UHFFFAOYSA-N 1 2 292.382 3.861 20 30 CHEDLO CC(C)Oc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028840 1127770425 /nfs/dbraw/zinc/77/04/25/1127770425.db2.gz ZKGJDGVRAGPAQE-UHFFFAOYSA-N 1 2 292.382 3.861 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000411693853 1127870215 /nfs/dbraw/zinc/87/02/15/1127870215.db2.gz MSLGASBAVHYNCD-WFASDCNBSA-N 1 2 280.774 3.903 20 30 CHEDLO C[C@@H](CCC#N)[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000411693853 1127870222 /nfs/dbraw/zinc/87/02/22/1127870222.db2.gz MSLGASBAVHYNCD-WFASDCNBSA-N 1 2 280.774 3.903 20 30 CHEDLO CC[N@H+](Cc1occc1C)Cc1ccc(F)cc1C#N ZINC000412026112 1127890799 /nfs/dbraw/zinc/89/07/99/1127890799.db2.gz KXYOBGGOZHLGEI-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO CC[N@@H+](Cc1occc1C)Cc1ccc(F)cc1C#N ZINC000412026112 1127890805 /nfs/dbraw/zinc/89/08/05/1127890805.db2.gz KXYOBGGOZHLGEI-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO Cc1cc(NCCCCC#N)[nH+]cc1C(F)(F)F ZINC001168427472 1127911350 /nfs/dbraw/zinc/91/13/50/1127911350.db2.gz NUGAQDCFHMZJII-UHFFFAOYSA-N 1 2 257.259 3.515 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000442684819 1127908416 /nfs/dbraw/zinc/90/84/16/1127908416.db2.gz VWXMAUSNGLZTSX-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000442684819 1127908421 /nfs/dbraw/zinc/90/84/21/1127908421.db2.gz VWXMAUSNGLZTSX-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C#C[C@@H]([NH2+][C@H](C)c1cc(C)ccn1)c1ccc(F)cc1 ZINC000491351585 1128068271 /nfs/dbraw/zinc/06/82/71/1128068271.db2.gz USMLJJFFKDZYQR-CZUORRHYSA-N 1 2 268.335 3.554 20 30 CHEDLO CC[C@@H]([NH2+]CCc1cccs1)c1cccc(C#N)c1O ZINC000924555090 1128104703 /nfs/dbraw/zinc/10/47/03/1128104703.db2.gz VDVFFQSWLXDOPF-OAHLLOKOSA-N 1 2 286.400 3.609 20 30 CHEDLO NC(=[NH+]OCc1ccc(CF)cc1)c1ccc(Cl)cc1 ZINC000777538764 1128117309 /nfs/dbraw/zinc/11/73/09/1128117309.db2.gz PMYPZGPZFOWCTO-UHFFFAOYSA-N 1 2 292.741 3.647 20 30 CHEDLO CC(C)n1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000925600666 1128133735 /nfs/dbraw/zinc/13/37/35/1128133735.db2.gz IGGHUDLWVASUGL-GDBMZVCRSA-N 1 2 297.406 3.555 20 30 CHEDLO CC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926843556 1128197779 /nfs/dbraw/zinc/19/77/79/1128197779.db2.gz WWLGSCYKCUWFQN-CYBMUJFWSA-N 1 2 294.345 3.740 20 30 CHEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000494655279 1128184985 /nfs/dbraw/zinc/18/49/85/1128184985.db2.gz PZDCVRHNKSFDOY-SFHVURJKSA-N 1 2 294.398 3.793 20 30 CHEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000494655279 1128184987 /nfs/dbraw/zinc/18/49/87/1128184987.db2.gz PZDCVRHNKSFDOY-SFHVURJKSA-N 1 2 294.398 3.793 20 30 CHEDLO CC[C@@H]([NH2+]CCCOC(C)(C)C)c1cccc(C#N)c1O ZINC000926697614 1128188425 /nfs/dbraw/zinc/18/84/25/1128188425.db2.gz XDYKDAXELMINJU-OAHLLOKOSA-N 1 2 290.407 3.510 20 30 CHEDLO CC[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926705177 1128189058 /nfs/dbraw/zinc/18/90/58/1128189058.db2.gz MFDAKXCEGKNWTO-HIFRSBDPSA-N 1 2 294.345 3.740 20 30 CHEDLO CCc1ccc([C@@H]([NH2+]CC(C)(C)C#N)c2cccnc2)cc1 ZINC000926875196 1128198996 /nfs/dbraw/zinc/19/89/96/1128198996.db2.gz WKLKWRVEPKGQSC-GOSISDBHSA-N 1 2 293.414 3.873 20 30 CHEDLO COc1cc(F)ccc1N[NH+]=C1CCCNc2ccccc21 ZINC000761884092 1128251251 /nfs/dbraw/zinc/25/12/51/1128251251.db2.gz FBVWSVKDAUJWJD-UHFFFAOYSA-N 1 2 299.349 3.856 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CCc2ccsc2)c(O)c1 ZINC000914701745 1128232736 /nfs/dbraw/zinc/23/27/36/1128232736.db2.gz OJSIWEQTZPFQOT-MHWRWJLKSA-N 1 2 275.373 3.514 20 30 CHEDLO C[C@@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000930214725 1128307851 /nfs/dbraw/zinc/30/78/51/1128307851.db2.gz VZADBADUFWONTN-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO Cc1cc(F)c(C[N@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001235197484 1128312843 /nfs/dbraw/zinc/31/28/43/1128312843.db2.gz JHNCEBGZJQLXKS-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(F)c(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001235197484 1128312848 /nfs/dbraw/zinc/31/28/48/1128312848.db2.gz JHNCEBGZJQLXKS-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO N#CC1CCC(C[NH2+][C@@H](c2ccccc2)C(F)F)CC1 ZINC000930565842 1128325411 /nfs/dbraw/zinc/32/54/11/1128325411.db2.gz DFWWSEDUBOOOAQ-PIMMBPRGSA-N 1 2 278.346 3.912 20 30 CHEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(Cl)ccc1F ZINC001168499357 1128340838 /nfs/dbraw/zinc/34/08/38/1128340838.db2.gz WHWGIRRUJLDSNC-MNOVXSKESA-N 1 2 279.746 3.573 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000563066426 1128448513 /nfs/dbraw/zinc/44/85/13/1128448513.db2.gz PCSSKWTVFVYNPE-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000563066426 1128448515 /nfs/dbraw/zinc/44/85/15/1128448515.db2.gz PCSSKWTVFVYNPE-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000917563335 1128506071 /nfs/dbraw/zinc/50/60/71/1128506071.db2.gz MTUKGIZVQMYQNI-UHFFFAOYSA-N 1 2 287.338 3.855 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCCCOCCc1ccccc1 ZINC000917556824 1128506873 /nfs/dbraw/zinc/50/68/73/1128506873.db2.gz NRBHYKDSGXBURL-SILNSSARSA-N 1 2 297.398 3.851 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(C3(C#N)CC3)cc2)c[nH+]1 ZINC001212249927 1128686998 /nfs/dbraw/zinc/68/69/98/1128686998.db2.gz UZAZFMJVFHPCNY-UHFFFAOYSA-N 1 2 263.344 3.997 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H](C)c2ccccc2)c1O ZINC000920943884 1128695432 /nfs/dbraw/zinc/69/54/32/1128695432.db2.gz CIGUGPMEGSWEDY-FDIDITGRSA-N 1 2 269.344 3.623 20 30 CHEDLO COc1cccc(/C=[NH+]\CCC2=CCCCC2)c1O ZINC000920945237 1128695919 /nfs/dbraw/zinc/69/59/19/1128695919.db2.gz SVKCECCUCVAIBA-ATVHPVEESA-N 1 2 259.349 3.710 20 30 CHEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CC=CCC2)c1O ZINC000920990747 1128697037 /nfs/dbraw/zinc/69/70/37/1128697037.db2.gz BCGDLWRVSHHCMI-LVLBFHFTSA-N 1 2 259.349 3.566 20 30 CHEDLO CC1(C[N@H+](CCC#N)Cc2cccnc2)CCCCC1 ZINC001208897993 1117957177 /nfs/dbraw/zinc/95/71/77/1117957177.db2.gz JSUKSDNYDMKVFQ-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO CC1(C[N@@H+](CCC#N)Cc2cccnc2)CCCCC1 ZINC001208897993 1117957178 /nfs/dbraw/zinc/95/71/78/1117957178.db2.gz JSUKSDNYDMKVFQ-UHFFFAOYSA-N 1 2 271.408 3.768 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000182391675 1118020583 /nfs/dbraw/zinc/02/05/83/1118020583.db2.gz YRJRLCMTHZZQAT-UHFFFAOYSA-N 1 2 272.392 3.521 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000182391675 1118020587 /nfs/dbraw/zinc/02/05/87/1118020587.db2.gz YRJRLCMTHZZQAT-UHFFFAOYSA-N 1 2 272.392 3.521 20 30 CHEDLO C#CCCC[N@@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001209269284 1118021758 /nfs/dbraw/zinc/02/17/58/1118021758.db2.gz SYJMDVXXURSTFU-HNNXBMFYSA-N 1 2 263.331 3.525 20 30 CHEDLO C#CCCC[N@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001209269284 1118021762 /nfs/dbraw/zinc/02/17/62/1118021762.db2.gz SYJMDVXXURSTFU-HNNXBMFYSA-N 1 2 263.331 3.525 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(C(C)C)cc1 ZINC000901437937 1128754457 /nfs/dbraw/zinc/75/44/57/1128754457.db2.gz MFANKJCVEVRCQP-KTKRTIGZSA-N 1 2 268.360 3.923 20 30 CHEDLO O=C1c2c(cc(Cl)cc2Cl)C/C1=C/c1[nH]cc[nH+]1 ZINC000764432346 1118091876 /nfs/dbraw/zinc/09/18/76/1118091876.db2.gz LMOQSPBAUODUJE-YVMONPNESA-N 1 2 279.126 3.539 20 30 CHEDLO Cc1ccc2c(CC/[NH+]=C/c3ccccc3O)c[nH]c2c1 ZINC000749454236 1118093781 /nfs/dbraw/zinc/09/37/81/1118093781.db2.gz ZNWAJUQCCGYGEZ-YBFXNURJSA-N 1 2 278.355 3.844 20 30 CHEDLO C=CCCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000765516383 1118161139 /nfs/dbraw/zinc/16/11/39/1118161139.db2.gz SCEAPVYWTTYUCJ-GOEBONIOSA-N 1 2 275.392 3.577 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1F ZINC000130786398 1118236179 /nfs/dbraw/zinc/23/61/79/1118236179.db2.gz PCXTUNWBSVEURR-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1F ZINC000130786398 1118236185 /nfs/dbraw/zinc/23/61/85/1118236185.db2.gz PCXTUNWBSVEURR-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO Cc1[nH+]cc(Nc2cccc(C(F)(F)F)c2C#N)cc1N ZINC001210289985 1118236569 /nfs/dbraw/zinc/23/65/69/1118236569.db2.gz CXGHBSJMRBAXKK-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000615837629 1118286525 /nfs/dbraw/zinc/28/65/25/1118286525.db2.gz PHDVFMAMKYJLMR-CRPZLVSXSA-N 1 2 299.374 3.624 20 30 CHEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000615837629 1118286529 /nfs/dbraw/zinc/28/65/29/1118286529.db2.gz PHDVFMAMKYJLMR-CRPZLVSXSA-N 1 2 299.374 3.624 20 30 CHEDLO C[C@H](CC(C)(C)C#N)[NH2+]c1ccc2c(c1)CCCN2C ZINC000926066781 1118311801 /nfs/dbraw/zinc/31/18/01/1118311801.db2.gz QTPIOSNQSQXXBO-CYBMUJFWSA-N 1 2 271.408 3.809 20 30 CHEDLO C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000926066781 1118311808 /nfs/dbraw/zinc/31/18/08/1118311808.db2.gz QTPIOSNQSQXXBO-CYBMUJFWSA-N 1 2 271.408 3.809 20 30 CHEDLO C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000926066781 1118311811 /nfs/dbraw/zinc/31/18/11/1118311811.db2.gz QTPIOSNQSQXXBO-CYBMUJFWSA-N 1 2 271.408 3.809 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(F)cc3F)n2c1 ZINC000255145429 1118322854 /nfs/dbraw/zinc/32/28/54/1118322854.db2.gz MXTIBTKVHVPZLF-XQRVVYSFSA-N 1 2 298.292 3.817 20 30 CHEDLO COc1cc(Nc2c(Cl)cccc2C#N)cc(C)[nH+]1 ZINC001210781145 1118385011 /nfs/dbraw/zinc/38/50/11/1118385011.db2.gz MYFDDRFPJSVOKE-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO C=CC(C)(C)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000626568285 1128774792 /nfs/dbraw/zinc/77/47/92/1128774792.db2.gz GILRVXMNJMATKS-UHFFFAOYSA-N 1 2 275.396 3.731 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000255362844 1118673271 /nfs/dbraw/zinc/67/32/71/1118673271.db2.gz RMTPXOIUTIQPCC-HJWRWDBZSA-N 1 2 276.339 3.847 20 30 CHEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000121520745 1118730912 /nfs/dbraw/zinc/73/09/12/1118730912.db2.gz LUBVJXSIFIRVDD-KRWDZBQOSA-N 1 2 298.361 3.623 20 30 CHEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000121520745 1118730915 /nfs/dbraw/zinc/73/09/15/1118730915.db2.gz LUBVJXSIFIRVDD-KRWDZBQOSA-N 1 2 298.361 3.623 20 30 CHEDLO CC[N@@H+](Cc1cccn1CCC(C)C)C[C@H](C)C#N ZINC000091984325 1118820050 /nfs/dbraw/zinc/82/00/50/1118820050.db2.gz ZUDUZYQKKZNTHU-OAHLLOKOSA-N 1 2 261.413 3.516 20 30 CHEDLO CC[N@H+](Cc1cccn1CCC(C)C)C[C@H](C)C#N ZINC000091984325 1118820053 /nfs/dbraw/zinc/82/00/53/1118820053.db2.gz ZUDUZYQKKZNTHU-OAHLLOKOSA-N 1 2 261.413 3.516 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Cl)cc1 ZINC000255494454 1119027118 /nfs/dbraw/zinc/02/71/18/1119027118.db2.gz UXYSJYCFTOFTTG-HJWRWDBZSA-N 1 2 282.730 3.884 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000342748555 1119154233 /nfs/dbraw/zinc/15/42/33/1119154233.db2.gz JQOZOHICBAYWSY-UHFFFAOYSA-N 1 2 269.348 3.578 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2F)C2CC2)o1 ZINC000051966178 1119247184 /nfs/dbraw/zinc/24/71/84/1119247184.db2.gz LTJAVHBJGSWFAW-UHFFFAOYSA-N 1 2 284.334 3.763 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)o1 ZINC000051966178 1119247189 /nfs/dbraw/zinc/24/71/89/1119247189.db2.gz LTJAVHBJGSWFAW-UHFFFAOYSA-N 1 2 284.334 3.763 20 30 CHEDLO C#Cc1cc(Nc2ccc(CNc3ccccc3)cc2)cc[nH+]1 ZINC001212298395 1128835925 /nfs/dbraw/zinc/83/59/25/1128835925.db2.gz UTTRSCIENNYEBH-UHFFFAOYSA-N 1 2 299.377 3.841 20 30 CHEDLO C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCC[C@H]1C#N ZINC000250256615 1119397907 /nfs/dbraw/zinc/39/79/07/1119397907.db2.gz YVMAVSFPJGSSHH-JOYOIKCWSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCC[C@H]1C#N ZINC000250256615 1119397910 /nfs/dbraw/zinc/39/79/10/1119397910.db2.gz YVMAVSFPJGSSHH-JOYOIKCWSA-N 1 2 299.237 3.635 20 30 CHEDLO CC(C)Sc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901472561 1128849730 /nfs/dbraw/zinc/84/97/30/1128849730.db2.gz KJYUYBNXPBOHTA-TWGQIWQCSA-N 1 2 286.400 3.817 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000161933317 1119579722 /nfs/dbraw/zinc/57/97/22/1119579722.db2.gz TVHYUTDTKJSOGL-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000161933317 1119579724 /nfs/dbraw/zinc/57/97/24/1119579724.db2.gz TVHYUTDTKJSOGL-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000612406839 1119784387 /nfs/dbraw/zinc/78/43/87/1119784387.db2.gz VJTZCTUQTXLJAE-AWEZNQCLSA-N 1 2 298.308 3.711 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000612406839 1119784391 /nfs/dbraw/zinc/78/43/91/1119784391.db2.gz VJTZCTUQTXLJAE-AWEZNQCLSA-N 1 2 298.308 3.711 20 30 CHEDLO Cc1ccc(F)c(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901489643 1128880244 /nfs/dbraw/zinc/88/02/44/1128880244.db2.gz MZSZCPRJGBRTCF-FNORWQNLSA-N 1 2 272.323 3.808 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)CC2 ZINC000180319593 1119981915 /nfs/dbraw/zinc/98/19/15/1119981915.db2.gz GEIIHWIMPIEGFH-QINSGFPZSA-N 1 2 288.350 3.855 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000613540389 1120020705 /nfs/dbraw/zinc/02/07/05/1120020705.db2.gz UCSMTDWJNCBJGF-SFHVURJKSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCOc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000613540389 1120020709 /nfs/dbraw/zinc/02/07/09/1120020709.db2.gz UCSMTDWJNCBJGF-SFHVURJKSA-N 1 2 286.419 3.991 20 30 CHEDLO C=C1CC(C)(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)C1 ZINC000921653622 1120055194 /nfs/dbraw/zinc/05/51/94/1120055194.db2.gz KUDWPCPNLDZDSM-UHFFFAOYSA-N 1 2 295.386 3.988 20 30 CHEDLO Cc1ccccc1C[C@H]([NH2+]CC1(C#N)CC1)c1ccco1 ZINC000926873310 1120173248 /nfs/dbraw/zinc/17/32/48/1120173248.db2.gz FLAFFIYZYGVCEE-INIZCTEOSA-N 1 2 280.371 3.765 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Cl)s1 ZINC000255884694 1120416130 /nfs/dbraw/zinc/41/61/30/1120416130.db2.gz HADIUBGJOXCYPP-PLNGDYQASA-N 1 2 288.759 3.945 20 30 CHEDLO Cc1cc(C)c(NC(=O)/C=C/c2cccc(C#N)c2)c(C)[nH+]1 ZINC000123354443 1120534601 /nfs/dbraw/zinc/53/46/01/1120534601.db2.gz QPCZCIAYSQFLLK-BQYQJAHWSA-N 1 2 291.354 3.530 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCCSCc1ccccc1 ZINC000428861584 1120542455 /nfs/dbraw/zinc/54/24/55/1120542455.db2.gz JZVJBAOOESYPMA-UHFFFAOYSA-N 1 2 274.433 3.712 20 30 CHEDLO C=CC[N@H+](CCC#N)CCCSCc1ccccc1 ZINC000428861584 1120542459 /nfs/dbraw/zinc/54/24/59/1120542459.db2.gz JZVJBAOOESYPMA-UHFFFAOYSA-N 1 2 274.433 3.712 20 30 CHEDLO C=C(C)C[N@H+](Cc1coc(C)n1)Cc1ccccc1 ZINC000660445458 1120618074 /nfs/dbraw/zinc/61/80/74/1120618074.db2.gz HZTHNZHBMIOQNX-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO C=C(C)C[N@@H+](Cc1coc(C)n1)Cc1ccccc1 ZINC000660445458 1120618077 /nfs/dbraw/zinc/61/80/77/1120618077.db2.gz HZTHNZHBMIOQNX-UHFFFAOYSA-N 1 2 256.349 3.561 20 30 CHEDLO CC[N@H+](Cc1ccncc1)Cc1ccc(C#N)cc1Cl ZINC000162881883 1120695711 /nfs/dbraw/zinc/69/57/11/1120695711.db2.gz IJGOXTFBBOWQDI-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1Cl ZINC000162881883 1120695714 /nfs/dbraw/zinc/69/57/14/1120695714.db2.gz IJGOXTFBBOWQDI-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162876860 1120696164 /nfs/dbraw/zinc/69/61/64/1120696164.db2.gz SJKYTDXRHBYFHD-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162876860 1120696170 /nfs/dbraw/zinc/69/61/70/1120696170.db2.gz SJKYTDXRHBYFHD-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC[C@H]1CCCCO1 ZINC000182202881 1128940865 /nfs/dbraw/zinc/94/08/65/1128940865.db2.gz FORRVOUWMQKNMN-DQPIFXJKSA-N 1 2 283.371 3.924 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000260164517 1121008605 /nfs/dbraw/zinc/00/86/05/1121008605.db2.gz ROPWFMBZQPMFHI-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000260164517 1121008610 /nfs/dbraw/zinc/00/86/10/1121008610.db2.gz ROPWFMBZQPMFHI-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCC#N ZINC000459511612 1121481592 /nfs/dbraw/zinc/48/15/92/1121481592.db2.gz IZISNJCQXKWIIA-UHFFFAOYSA-N 1 2 280.371 3.674 20 30 CHEDLO C#Cc1cccc(Nc2[nH+]cccc2N2CCCCC2)c1 ZINC001175974222 1121509776 /nfs/dbraw/zinc/50/97/76/1121509776.db2.gz RDJJNZDSLTZLGW-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)cc2C)cc[nH+]1 ZINC001176204646 1121573696 /nfs/dbraw/zinc/57/36/96/1121573696.db2.gz DXTAYZUONOAYEK-UHFFFAOYSA-N 1 2 276.261 3.556 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000509783561 1121578525 /nfs/dbraw/zinc/57/85/25/1121578525.db2.gz QQLXQJWJAQGAIR-NSHDSACASA-N 1 2 290.313 3.816 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000509783561 1121578531 /nfs/dbraw/zinc/57/85/31/1121578531.db2.gz QQLXQJWJAQGAIR-NSHDSACASA-N 1 2 290.313 3.816 20 30 CHEDLO N#CCC[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000611406953 1121644604 /nfs/dbraw/zinc/64/46/04/1121644604.db2.gz ICNJIVZGUOLJNJ-OAHLLOKOSA-N 1 2 291.354 3.962 20 30 CHEDLO C#Cc1cc(NC=Cc2ccc(C(F)(F)F)cc2)cc[nH+]1 ZINC001176660359 1121677431 /nfs/dbraw/zinc/67/74/31/1121677431.db2.gz MJRUFAQMIFHORB-VQHVLOKHSA-N 1 2 288.272 3.586 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCSC(C)(C)C)c1O ZINC000727265806 1121712709 /nfs/dbraw/zinc/71/27/09/1121712709.db2.gz ZYZGTGUDQLLZHC-WJDWOHSUSA-N 1 2 281.421 3.742 20 30 CHEDLO C#Cc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC001179148873 1121853370 /nfs/dbraw/zinc/85/33/70/1121853370.db2.gz XYSBNAHDVDQUMG-UHFFFAOYSA-N 1 2 262.356 3.554 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc(Cl)sc1Cl ZINC000731157165 1121853368 /nfs/dbraw/zinc/85/33/68/1121853368.db2.gz SYUIRABOYHICME-OWOJBTEDSA-N 1 2 273.144 3.674 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCc2ccccc21 ZINC000731938518 1121897049 /nfs/dbraw/zinc/89/70/49/1121897049.db2.gz UDCNPQQUUMPHOZ-HIXWQLQUSA-N 1 2 251.329 3.541 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000501543008 1121986308 /nfs/dbraw/zinc/98/63/08/1121986308.db2.gz SQZNNFQAJRAYNM-GFCCVEGCSA-N 1 2 292.785 3.790 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000501543008 1121986310 /nfs/dbraw/zinc/98/63/10/1121986310.db2.gz SQZNNFQAJRAYNM-GFCCVEGCSA-N 1 2 292.785 3.790 20 30 CHEDLO C=CC[N@@H+](C)Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001181056831 1122030815 /nfs/dbraw/zinc/03/08/15/1122030815.db2.gz VKJJGCRTUSSXMC-UHFFFAOYSA-N 1 2 273.207 3.677 20 30 CHEDLO C=CC[N@H+](C)Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001181056831 1122030820 /nfs/dbraw/zinc/03/08/20/1122030820.db2.gz VKJJGCRTUSSXMC-UHFFFAOYSA-N 1 2 273.207 3.677 20 30 CHEDLO Cc1ccc(Nc2sc3c(c2C#N)CCC3)c(C)[nH+]1 ZINC001203368283 1122082266 /nfs/dbraw/zinc/08/22/66/1122082266.db2.gz WTWIVMZPGNEUFX-UHFFFAOYSA-N 1 2 269.373 3.864 20 30 CHEDLO C=C(CC)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC001182356614 1122148078 /nfs/dbraw/zinc/14/80/78/1122148078.db2.gz MBWIUDJYDLOFAS-AWEZNQCLSA-N 1 2 253.336 3.809 20 30 CHEDLO C=CCN(CCc1ccco1)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001185948960 1122367367 /nfs/dbraw/zinc/36/73/67/1122367367.db2.gz LPYDXODFSYSWAV-UHFFFAOYSA-N 1 2 297.402 3.881 20 30 CHEDLO N#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(O)c1 ZINC001203723883 1122541351 /nfs/dbraw/zinc/54/13/51/1122541351.db2.gz BSHQINOQGKSWDM-UHFFFAOYSA-N 1 2 293.370 3.998 20 30 CHEDLO CC(C)n1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425532666 1122543327 /nfs/dbraw/zinc/54/33/27/1122543327.db2.gz JNDGSGRBPAOHOQ-CQSZACIVSA-N 1 2 282.391 3.529 20 30 CHEDLO CC(C)n1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425532666 1122543330 /nfs/dbraw/zinc/54/33/30/1122543330.db2.gz JNDGSGRBPAOHOQ-CQSZACIVSA-N 1 2 282.391 3.529 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437493832 1122637329 /nfs/dbraw/zinc/63/73/29/1122637329.db2.gz GXIXHJAMYRBIOM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437493832 1122637330 /nfs/dbraw/zinc/63/73/30/1122637330.db2.gz GXIXHJAMYRBIOM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CCCCCCCOC(=O)Nc1cccc2[nH+]ccn21 ZINC001193982562 1122734281 /nfs/dbraw/zinc/73/42/81/1122734281.db2.gz UOAQGDGOYLYVBE-UHFFFAOYSA-N 1 2 275.352 3.853 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)[C@@H]1c1ccncc1 ZINC000664829330 1122871030 /nfs/dbraw/zinc/87/10/30/1122871030.db2.gz MCPKZXGRALXQNO-GOSISDBHSA-N 1 2 276.383 3.516 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)[C@@H]1c1ccncc1 ZINC000664829330 1122871037 /nfs/dbraw/zinc/87/10/37/1122871037.db2.gz MCPKZXGRALXQNO-GOSISDBHSA-N 1 2 276.383 3.516 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC001195651221 1122881171 /nfs/dbraw/zinc/88/11/71/1122881171.db2.gz VQDBCPNPYMSRPC-QGZVFWFLSA-N 1 2 293.455 3.544 20 30 CHEDLO CCCCCCCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC001195651221 1122881180 /nfs/dbraw/zinc/88/11/80/1122881180.db2.gz VQDBCPNPYMSRPC-QGZVFWFLSA-N 1 2 293.455 3.544 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(Cl)c1 ZINC000178941384 1123123668 /nfs/dbraw/zinc/12/36/68/1123123668.db2.gz RXHXJZOXDWUKHC-BQYQJAHWSA-N 1 2 282.730 3.884 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000178940952 1123123716 /nfs/dbraw/zinc/12/37/16/1123123716.db2.gz JWYLAOLBPLIQMJ-CMDGGOBGSA-N 1 2 282.730 3.884 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(F)cc1F ZINC000178943556 1123135599 /nfs/dbraw/zinc/13/55/99/1123135599.db2.gz NUOHVRVDAZSMQC-FNORWQNLSA-N 1 2 284.265 3.509 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000343829792 1123255042 /nfs/dbraw/zinc/25/50/42/1123255042.db2.gz CCYHNWAZFUVCOF-UHFFFAOYSA-N 1 2 281.359 3.579 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000428217590 1123282009 /nfs/dbraw/zinc/28/20/09/1123282009.db2.gz KBTIGPAJWBZHFM-FZKQIMNGSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1c1ccccc1 ZINC000428217590 1123282014 /nfs/dbraw/zinc/28/20/14/1123282014.db2.gz KBTIGPAJWBZHFM-FZKQIMNGSA-N 1 2 280.346 3.890 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000520852056 1123286854 /nfs/dbraw/zinc/28/68/54/1123286854.db2.gz WUKCVNSAOOYGMR-UHFFFAOYSA-N 1 2 272.323 3.633 20 30 CHEDLO CCc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000850552460 1123290316 /nfs/dbraw/zinc/29/03/16/1123290316.db2.gz ZYOPAHOICLHNQA-LBPRGKRZSA-N 1 2 275.396 3.670 20 30 CHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000853536320 1123442952 /nfs/dbraw/zinc/44/29/52/1123442952.db2.gz AFSXWJFWDBWUTM-LLVKDONJSA-N 1 2 295.477 3.797 20 30 CHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000853536320 1123442954 /nfs/dbraw/zinc/44/29/54/1123442954.db2.gz AFSXWJFWDBWUTM-LLVKDONJSA-N 1 2 295.477 3.797 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCC1(F)F ZINC000853662856 1123445858 /nfs/dbraw/zinc/44/58/58/1123445858.db2.gz UVMZJNFMQSKOHC-CYBMUJFWSA-N 1 2 294.345 3.721 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCCC1CC(F)(F)C1 ZINC000853679301 1123446933 /nfs/dbraw/zinc/44/69/33/1123446933.db2.gz WEWXQVCWKVDNDE-UHFFFAOYSA-N 1 2 294.345 3.721 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)CC(F)F ZINC000853709012 1123448800 /nfs/dbraw/zinc/44/88/00/1123448800.db2.gz VQMRFNMVNYMYFS-GFCCVEGCSA-N 1 2 282.334 3.577 20 30 CHEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428285762 1123450471 /nfs/dbraw/zinc/45/04/71/1123450471.db2.gz JOKVFBLTJKGNEN-ZDUSSCGKSA-N 1 2 298.361 3.865 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CCCCC1 ZINC000857914921 1123626977 /nfs/dbraw/zinc/62/69/77/1123626977.db2.gz QVTUUSPHWFLQIF-ZDUSSCGKSA-N 1 2 289.810 3.786 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H](C)C#N ZINC000042324076 1123783358 /nfs/dbraw/zinc/78/33/58/1123783358.db2.gz LMLRXNRIMSDQAY-SNVBAGLBSA-N 1 2 299.187 3.570 20 30 CHEDLO CC[N@H+](Cc1ccc(F)c(Br)c1)C[C@H](C)C#N ZINC000042324076 1123783360 /nfs/dbraw/zinc/78/33/60/1123783360.db2.gz LMLRXNRIMSDQAY-SNVBAGLBSA-N 1 2 299.187 3.570 20 30 CHEDLO COC(=O)C(C)(C)CC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000794680560 1123926492 /nfs/dbraw/zinc/92/64/92/1123926492.db2.gz PGYNZEFSAQOKOS-XDHOZWIPSA-N 1 2 299.370 3.554 20 30 CHEDLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866249417 1124041553 /nfs/dbraw/zinc/04/15/53/1124041553.db2.gz JZGWQJZBOYLBBO-STQMWFEESA-N 1 2 296.370 3.684 20 30 CHEDLO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866294723 1124048276 /nfs/dbraw/zinc/04/82/76/1124048276.db2.gz MEECUPFVEFXXSC-UGSOOPFHSA-N 1 2 292.382 3.910 20 30 CHEDLO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866399139 1124061922 /nfs/dbraw/zinc/06/19/22/1124061922.db2.gz SMNSDCFSJKPEBA-NSHDSACASA-N 1 2 296.361 3.986 20 30 CHEDLO CCOc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428460293 1124129145 /nfs/dbraw/zinc/12/91/45/1124129145.db2.gz NVICFBSYNUFRGC-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428460293 1124129147 /nfs/dbraw/zinc/12/91/47/1124129147.db2.gz NVICFBSYNUFRGC-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CC(C)[N@H+](Cc1ccco1)Cc1cccc(F)c1C#N ZINC000428471562 1124134532 /nfs/dbraw/zinc/13/45/32/1124134532.db2.gz XZWFAGVGBSKUCD-UHFFFAOYSA-N 1 2 272.323 3.701 20 30 CHEDLO CC(C)[N@@H+](Cc1ccco1)Cc1cccc(F)c1C#N ZINC000428471562 1124134534 /nfs/dbraw/zinc/13/45/34/1124134534.db2.gz XZWFAGVGBSKUCD-UHFFFAOYSA-N 1 2 272.323 3.701 20 30 CHEDLO Cc1cc(-c2ccc(C(F)(F)F)cc2C#N)c[nH+]c1N ZINC001238845002 1131255385 /nfs/dbraw/zinc/25/53/85/1131255385.db2.gz GXFLQNVLRVNPJN-UHFFFAOYSA-N 1 2 277.249 3.530 20 30 CHEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC#N ZINC000123229358 1124575416 /nfs/dbraw/zinc/57/54/16/1124575416.db2.gz YUCSIDUWTRFJFN-VIFPVBQESA-N 1 2 257.164 3.900 20 30 CHEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC#N ZINC000123229358 1124575429 /nfs/dbraw/zinc/57/54/29/1124575429.db2.gz YUCSIDUWTRFJFN-VIFPVBQESA-N 1 2 257.164 3.900 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCCc1cccs1 ZINC000820605340 1131296170 /nfs/dbraw/zinc/29/61/70/1131296170.db2.gz QAAQWRJIQJZNQB-UHFFFAOYSA-N 1 2 286.400 3.590 20 30 CHEDLO C=CCC[C@H](C(=O)OCc1c[nH+]cn1CC)c1ccccc1 ZINC001123473522 1131315201 /nfs/dbraw/zinc/31/52/01/1131315201.db2.gz SLDIDSXIDXIYND-KRWDZBQOSA-N 1 2 298.386 3.696 20 30 CHEDLO CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1cccc(C#N)c1O ZINC000925224623 1124907136 /nfs/dbraw/zinc/90/71/36/1124907136.db2.gz JHVFRCXSJPJVCW-SUMWQHHRSA-N 1 2 295.386 3.503 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(Br)c(C)s1 ZINC000876563795 1124962506 /nfs/dbraw/zinc/96/25/06/1124962506.db2.gz MEFDQGTUMAGNAO-UHFFFAOYSA-N 1 2 287.226 3.555 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(Br)c(C)s1 ZINC000876563795 1124962512 /nfs/dbraw/zinc/96/25/12/1124962512.db2.gz MEFDQGTUMAGNAO-UHFFFAOYSA-N 1 2 287.226 3.555 20 30 CHEDLO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876590133 1124963177 /nfs/dbraw/zinc/96/31/77/1124963177.db2.gz SQIHOUVBGQCHIT-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876590133 1124963182 /nfs/dbraw/zinc/96/31/82/1124963182.db2.gz SQIHOUVBGQCHIT-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(Cl)cs1 ZINC000877168549 1125017559 /nfs/dbraw/zinc/01/75/59/1125017559.db2.gz NWHSJMGWQVIRBJ-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(Cl)cs1 ZINC000877168549 1125017568 /nfs/dbraw/zinc/01/75/68/1125017568.db2.gz NWHSJMGWQVIRBJ-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1 ZINC000530778466 1125179385 /nfs/dbraw/zinc/17/93/85/1125179385.db2.gz GAMZOTLMSDDBPK-UHFFFAOYSA-N 1 2 296.414 3.513 20 30 CHEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1 ZINC000530778466 1125179387 /nfs/dbraw/zinc/17/93/87/1125179387.db2.gz GAMZOTLMSDDBPK-UHFFFAOYSA-N 1 2 296.414 3.513 20 30 CHEDLO N#Cc1cccc(Cl)c1NCC[NH+]1Cc2ccccc2C1 ZINC000610274584 1125293381 /nfs/dbraw/zinc/29/33/81/1125293381.db2.gz KVRDKOVIFMAFMT-UHFFFAOYSA-N 1 2 297.789 3.639 20 30 CHEDLO CCCCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000127505675 1125303354 /nfs/dbraw/zinc/30/33/54/1125303354.db2.gz PFZIHURRXDPBNW-OLZOCXBDSA-N 1 2 298.390 3.696 20 30 CHEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000129785413 1125349536 /nfs/dbraw/zinc/34/95/36/1125349536.db2.gz LEOQSFXQWIKNDH-MRVPVSSYSA-N 1 2 292.579 3.991 20 30 CHEDLO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000883274708 1125390337 /nfs/dbraw/zinc/39/03/37/1125390337.db2.gz RZKRDZSDEHLMMM-DGCLKSJQSA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)s1 ZINC000352842709 1125399591 /nfs/dbraw/zinc/39/95/91/1125399591.db2.gz WYCLFCUBGGRQAP-SSDOTTSWSA-N 1 2 283.809 3.580 20 30 CHEDLO CCCCCCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863269 1125410196 /nfs/dbraw/zinc/41/01/96/1125410196.db2.gz WTCRYQKESIMTJS-UHFFFAOYSA-N 1 2 291.439 3.797 20 30 CHEDLO Cc1ccc2c(Nc3cc(C#N)cnc3C)cccc2[nH+]1 ZINC001212796376 1125419277 /nfs/dbraw/zinc/41/92/77/1125419277.db2.gz XEASGXBTGQECOP-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1cc(C#N)ccn1 ZINC001168235665 1125421532 /nfs/dbraw/zinc/42/15/32/1125421532.db2.gz WVKGHCMWGAVGKS-QWHCGFSZSA-N 1 2 295.361 3.600 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1cc(C#N)ccn1 ZINC001168235665 1125421533 /nfs/dbraw/zinc/42/15/33/1125421533.db2.gz WVKGHCMWGAVGKS-QWHCGFSZSA-N 1 2 295.361 3.600 20 30 CHEDLO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000125273045 1125446231 /nfs/dbraw/zinc/44/62/31/1125446231.db2.gz SLTSDKWTSFJADY-KRWDZBQOSA-N 1 2 297.402 3.702 20 30 CHEDLO C=CCOc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000125273045 1125446233 /nfs/dbraw/zinc/44/62/33/1125446233.db2.gz SLTSDKWTSFJADY-KRWDZBQOSA-N 1 2 297.402 3.702 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000125542976 1125450222 /nfs/dbraw/zinc/45/02/22/1125450222.db2.gz JXQYXXPVQRRFBY-UHFFFAOYSA-N 1 2 299.349 3.718 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2cc(F)c(F)cc2F)cc1 ZINC000734302671 1129300497 /nfs/dbraw/zinc/30/04/97/1129300497.db2.gz JIJRQUYBUFIVHG-UHFFFAOYSA-N 1 2 293.292 3.616 20 30 CHEDLO C#CC[N@H+](Cc1ccco1)Cc1cc2cc(C)ccc2o1 ZINC000739913912 1129408769 /nfs/dbraw/zinc/40/87/69/1129408769.db2.gz TZPSWOHJULROKY-UHFFFAOYSA-N 1 2 279.339 3.970 20 30 CHEDLO C#CC[N@@H+](Cc1ccco1)Cc1cc2cc(C)ccc2o1 ZINC000739913912 1129408772 /nfs/dbraw/zinc/40/87/72/1129408772.db2.gz TZPSWOHJULROKY-UHFFFAOYSA-N 1 2 279.339 3.970 20 30 CHEDLO Cc1cccc2oc(CC/[NH+]=C/c3ccccc3O)nc21 ZINC000743045426 1129512069 /nfs/dbraw/zinc/51/20/69/1129512069.db2.gz JSGYCLFDKANJEZ-WOJGMQOQSA-N 1 2 280.327 3.503 20 30 CHEDLO C=CCCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000649252516 1129638866 /nfs/dbraw/zinc/63/88/66/1129638866.db2.gz NPWIDICOGRAXIS-AWEZNQCLSA-N 1 2 275.396 3.830 20 30 CHEDLO C=CCCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000649252516 1129638868 /nfs/dbraw/zinc/63/88/68/1129638868.db2.gz NPWIDICOGRAXIS-AWEZNQCLSA-N 1 2 275.396 3.830 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1CCc2ccccc2[C@@H]1O ZINC001169615320 1129743326 /nfs/dbraw/zinc/74/33/26/1129743326.db2.gz AIPWLNNPEGLOEU-ROUUACIJSA-N 1 2 294.398 3.579 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCc2ccccc2[C@H]1O ZINC001169615319 1129743490 /nfs/dbraw/zinc/74/34/90/1129743490.db2.gz AIPWLNNPEGLOEU-QZTJIDSGSA-N 1 2 294.398 3.579 20 30 CHEDLO C#C[C@](C)(CC)Nc1cc[nH+]c(OCc2ccccc2)c1 ZINC001169697140 1129747895 /nfs/dbraw/zinc/74/78/95/1129747895.db2.gz HFRFMMMOWXIUIL-GOSISDBHSA-N 1 2 280.371 3.874 20 30 CHEDLO C=C[C@@H](CO)Nc1cc(C)c2cccc(C(C)C)c2[nH+]1 ZINC001169779341 1129755933 /nfs/dbraw/zinc/75/59/33/1129755933.db2.gz FYADYHKVPQETKO-ZDUSSCGKSA-N 1 2 270.376 3.625 20 30 CHEDLO CC(C)(C)Oc1cc[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001169952792 1129767263 /nfs/dbraw/zinc/76/72/63/1129767263.db2.gz KCXCXTGQNFUJFU-UHFFFAOYSA-N 1 2 288.391 3.944 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCc2cccc3[nH]ccc32)c1 ZINC000800720412 1129886420 /nfs/dbraw/zinc/88/64/20/1129886420.db2.gz CTUGSTADOMGRGO-XDHOZWIPSA-N 1 2 294.354 3.544 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CSc2ccccc2C1=O ZINC000901428489 1129924042 /nfs/dbraw/zinc/92/40/42/1129924042.db2.gz GYUHYBQDZLKTTR-GHXNOFRVSA-N 1 2 284.384 3.836 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901465739 1129927772 /nfs/dbraw/zinc/92/77/72/1129927772.db2.gz YHIZPHMEKLXDOJ-ZSOIEALJSA-N 1 2 266.344 3.595 20 30 CHEDLO Cn1c[nH+]cc1/C=C1/CCCc2ccc(Cl)cc2C1=O ZINC000901477379 1129929112 /nfs/dbraw/zinc/92/91/12/1129929112.db2.gz PGCSZZNWSHXTEP-GHXNOFRVSA-N 1 2 286.762 3.676 20 30 CHEDLO C=CC[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccncc1 ZINC000769915007 1129929401 /nfs/dbraw/zinc/92/94/01/1129929401.db2.gz UFPRFBYLFXXAGY-NSHDSACASA-N 1 2 279.796 3.599 20 30 CHEDLO Cc1[nH]c(/C=C2/CCc3ccc(C)cc3C2=O)[nH+]c1C ZINC000901486476 1129929417 /nfs/dbraw/zinc/92/94/17/1129929417.db2.gz IZPSVNMLYRYOBO-ZROIWOOFSA-N 1 2 266.344 3.547 20 30 CHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C)CCO2 ZINC000901486269 1129929578 /nfs/dbraw/zinc/92/95/78/1129929578.db2.gz ZFLOMMUXMDCPRA-ZSOIEALJSA-N 1 2 296.370 3.592 20 30 CHEDLO Cc1[nH]c(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)[nH+]c1C ZINC000901488802 1129929997 /nfs/dbraw/zinc/92/99/97/1129929997.db2.gz HUDXSCPIKKAIPH-MLJKTZRHSA-N 1 2 278.355 3.726 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccccc2[C@@H]1C(C)C ZINC000901500914 1129931574 /nfs/dbraw/zinc/93/15/74/1129931574.db2.gz UTQWPGIZHJRQDN-STKCSNAVSA-N 1 2 280.371 3.923 20 30 CHEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(C2CCC2)cc1 ZINC000901543264 1129935152 /nfs/dbraw/zinc/93/51/52/1129935152.db2.gz DVJOBDZXRPXGSJ-MDZDMXLPSA-N 1 2 266.344 3.584 20 30 CHEDLO Cc1ccc(C)n1-c1ccc([NH2+]CCCS)cc1 ZINC001171004327 1131412048 /nfs/dbraw/zinc/41/20/48/1131412048.db2.gz ZHWPJZKRMJTAHO-UHFFFAOYSA-N 1 2 260.406 3.826 20 30 CHEDLO Cc1ccsc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000771861095 1129991733 /nfs/dbraw/zinc/99/17/33/1129991733.db2.gz UYETUNUGWVSWFO-PLNGDYQASA-N 1 2 282.368 3.909 20 30 CHEDLO CCC(CC)[C@@H](CC/[NH+]=C\c1cc(OC)ccc1O)OC ZINC000746521248 1130001528 /nfs/dbraw/zinc/00/15/28/1130001528.db2.gz GBYFPXYRUJFVIN-ZCWPUFOUSA-N 1 2 293.407 3.661 20 30 CHEDLO C=C[C@](C)(CC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000785757917 1130053871 /nfs/dbraw/zinc/05/38/71/1130053871.db2.gz OWCQGBQKUYVVTJ-QGZVFWFLSA-N 1 2 284.359 3.518 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)cc(F)c2)cc1C#N ZINC001239656749 1130035474 /nfs/dbraw/zinc/03/54/74/1130035474.db2.gz ZJOKGAFOKMWZJW-KEBDBYFISA-N 1 2 285.297 3.725 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785999598 1130072823 /nfs/dbraw/zinc/07/28/23/1130072823.db2.gz WRNWNEBNCWLMGW-ZDUSSCGKSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785999598 1130072829 /nfs/dbraw/zinc/07/28/29/1130072829.db2.gz WRNWNEBNCWLMGW-ZDUSSCGKSA-N 1 2 280.755 3.789 20 30 CHEDLO C(=[NH+]NC1CCCCC1)c1ccc(N2CCCCC2)o1 ZINC000786042008 1130076780 /nfs/dbraw/zinc/07/67/80/1130076780.db2.gz GDMYWIYAMFKOPM-UHFFFAOYSA-N 1 2 275.396 3.526 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1cc(C#N)ccn1 ZINC000903081402 1130109564 /nfs/dbraw/zinc/10/95/64/1130109564.db2.gz VUHIOCKJXZQMKP-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO C=C(Br)C[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000746652410 1130134149 /nfs/dbraw/zinc/13/41/49/1130134149.db2.gz MDMYHBWMSHLLQO-UHFFFAOYSA-N 1 2 286.188 3.946 20 30 CHEDLO C=C(Br)C[N@H+](CCC)Cc1ccc(F)cc1 ZINC000746652410 1130134151 /nfs/dbraw/zinc/13/41/51/1130134151.db2.gz MDMYHBWMSHLLQO-UHFFFAOYSA-N 1 2 286.188 3.946 20 30 CHEDLO Cc1ccc2cc([C@H](C)[NH2+]Cc3nc(C#N)cs3)oc2c1 ZINC000903263298 1130139573 /nfs/dbraw/zinc/13/95/73/1130139573.db2.gz LPBKPKVABAEKDI-NSHDSACASA-N 1 2 297.383 3.920 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccccc1OCC#N ZINC001212599384 1130144650 /nfs/dbraw/zinc/14/46/50/1130144650.db2.gz QRJHOYAYKBUTHR-UHFFFAOYSA-N 1 2 267.332 3.598 20 30 CHEDLO CC(C)(C)c1coc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000903313801 1130152990 /nfs/dbraw/zinc/15/29/90/1130152990.db2.gz ZUACEILCAYAKBE-OAHLLOKOSA-N 1 2 295.386 3.621 20 30 CHEDLO CC(C)c1nc(C(=O)/C=C/c2c[nH+]c3ccccn23)cs1 ZINC000787479432 1130153197 /nfs/dbraw/zinc/15/31/97/1130153197.db2.gz HAUXJCZLCZLLBH-VOTSOKGWSA-N 1 2 297.383 3.810 20 30 CHEDLO C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000903340516 1130162146 /nfs/dbraw/zinc/16/21/46/1130162146.db2.gz ITOKYCOBWOWZQS-RYUDHWBXSA-N 1 2 294.345 3.740 20 30 CHEDLO Cc1c(C#N)c(-c2ccc3[nH+]ccn3c2)nc2ccccc12 ZINC001240216986 1130235842 /nfs/dbraw/zinc/23/58/42/1130235842.db2.gz WENKMAGQBYUWHD-UHFFFAOYSA-N 1 2 284.322 3.730 20 30 CHEDLO CCN(C)c1ccc(C=[NH+]Nc2ccccc2Cl)cn1 ZINC000790141224 1130292190 /nfs/dbraw/zinc/29/21/90/1130292190.db2.gz ANACJAVFFBPKPL-UHFFFAOYSA-N 1 2 288.782 3.637 20 30 CHEDLO N#CC1(c2ccccc2-c2ccn3cc[nH+]c3c2)CCC1 ZINC001240513618 1130337810 /nfs/dbraw/zinc/33/78/10/1130337810.db2.gz WMJAOCLTVRXHJI-UHFFFAOYSA-N 1 2 273.339 3.947 20 30 CHEDLO C=CCN(c1[nH+]ccc2ccc(C#N)cc21)C(C)(C)C ZINC001157585168 1130369176 /nfs/dbraw/zinc/36/91/76/1130369176.db2.gz YZSVHOFRHCJGLD-UHFFFAOYSA-N 1 2 265.360 3.897 20 30 CHEDLO COc1ccc2cc(NCc3ccc(C#N)s3)[nH+]cc2c1 ZINC001170199169 1130462363 /nfs/dbraw/zinc/46/23/63/1130462363.db2.gz KRWONONMONBORG-UHFFFAOYSA-N 1 2 295.367 3.789 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NCC(C)(C)S)c1 ZINC001170309057 1130483395 /nfs/dbraw/zinc/48/33/95/1130483395.db2.gz LUSPHWMETQLIKF-UHFFFAOYSA-N 1 2 266.454 3.962 20 30 CHEDLO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cocn3)c2)s1 ZINC000758362038 1130607079 /nfs/dbraw/zinc/60/70/79/1130607079.db2.gz HFCBITNJFXHWOQ-UHFFFAOYSA-N 1 2 295.367 3.565 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486251 1130611629 /nfs/dbraw/zinc/61/16/29/1130611629.db2.gz HSXMJEIAYRJJBP-UHFFFAOYSA-N 1 2 295.553 3.744 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC001137646840 1130620455 /nfs/dbraw/zinc/62/04/55/1130620455.db2.gz VNMHOUXHOHTCKT-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Br)s2)CC1 ZINC001137646840 1130620456 /nfs/dbraw/zinc/62/04/56/1130620456.db2.gz VNMHOUXHOHTCKT-JTQLQIEISA-N 1 2 299.237 3.636 20 30 CHEDLO CCOC(=[NH2+])c1ccc(O[C@@H](C)C#C[Si](C)(C)C)cc1 ZINC001234587838 1130659573 /nfs/dbraw/zinc/65/95/73/1130659573.db2.gz DMCKFJQXOAVTJI-ZDUSSCGKSA-N 1 2 289.451 3.697 20 30 CHEDLO C#C[C@H](CCCC)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588719 1130659692 /nfs/dbraw/zinc/65/96/92/1130659692.db2.gz QVFHQRWKYDZCOB-CQSZACIVSA-N 1 2 259.349 3.619 20 30 CHEDLO Fc1cc(N[NH+]=Cc2ccccc2N2CCCCC2)ccn1 ZINC000781133733 1130705412 /nfs/dbraw/zinc/70/54/12/1130705412.db2.gz SXDDFDXPFNVZQV-UHFFFAOYSA-N 1 2 298.365 3.657 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccccc1CC#N ZINC001235512123 1130750656 /nfs/dbraw/zinc/75/06/56/1130750656.db2.gz PRCDEWDJZLNSOC-UHFFFAOYSA-N 1 2 289.382 3.669 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccccc1CC#N ZINC001235512123 1130750661 /nfs/dbraw/zinc/75/06/61/1130750661.db2.gz PRCDEWDJZLNSOC-UHFFFAOYSA-N 1 2 289.382 3.669 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652608 1130762968 /nfs/dbraw/zinc/76/29/68/1130762968.db2.gz ZEROFSPAFZJNKR-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652608 1130762971 /nfs/dbraw/zinc/76/29/71/1130762971.db2.gz ZEROFSPAFZJNKR-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(F)c(C#N)c2)cc1F ZINC001235897535 1130797104 /nfs/dbraw/zinc/79/71/04/1130797104.db2.gz APOFSNOKHYHPNO-UHFFFAOYSA-N 1 2 290.288 3.704 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccccc1F ZINC000783697974 1130849512 /nfs/dbraw/zinc/84/95/12/1130849512.db2.gz WDVGAWGKHLTNLN-WAYWQWQTSA-N 1 2 298.342 3.969 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccsc1 ZINC000783705977 1130849912 /nfs/dbraw/zinc/84/99/12/1130849912.db2.gz FHFVJPMSUJRHPM-UPHRSURJSA-N 1 2 286.381 3.891 20 30 CHEDLO O=C1c2ccccc2O/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000783711522 1130850759 /nfs/dbraw/zinc/85/07/59/1130850759.db2.gz ZRONESFRUXGUPD-OVCLIPMQSA-N 1 2 294.335 3.550 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(OCC#N)cc1 ZINC001212607954 1130906758 /nfs/dbraw/zinc/90/67/58/1130906758.db2.gz IKVJNRXTEXRLMX-UHFFFAOYSA-N 1 2 267.332 3.598 20 30 CHEDLO CC(=[NH+]Nc1cccc(F)c1)c1cc(F)c(N)c(F)c1 ZINC000814815271 1130916856 /nfs/dbraw/zinc/91/68/56/1130916856.db2.gz RQYQTICUJQMHQE-UHFFFAOYSA-N 1 2 279.265 3.522 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236796509 1131009636 /nfs/dbraw/zinc/00/96/36/1131009636.db2.gz PQNMGRUYLGJAKD-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236796509 1131009639 /nfs/dbraw/zinc/00/96/39/1131009639.db2.gz PQNMGRUYLGJAKD-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO Oc1cccc(/C=[NH+]\CCCCc2ccccc2)c1O ZINC000798068783 1131023432 /nfs/dbraw/zinc/02/34/32/1131023432.db2.gz WOCJORXTEUKAMD-AQTBWJFISA-N 1 2 269.344 3.540 20 30 CHEDLO CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001237028800 1131039076 /nfs/dbraw/zinc/03/90/76/1131039076.db2.gz MFGYGSJELNXXJZ-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001237028800 1131039083 /nfs/dbraw/zinc/03/90/83/1131039083.db2.gz MFGYGSJELNXXJZ-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO COc1cccc(/C=[NH+]/CCc2ccc3[nH]ccc3c2)c1O ZINC000799743067 1131108217 /nfs/dbraw/zinc/10/82/17/1131108217.db2.gz UJICVGNVGLJNKZ-XDHOZWIPSA-N 1 2 294.354 3.544 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237517001 1131109905 /nfs/dbraw/zinc/10/99/05/1131109905.db2.gz XROMDEFVHUHKAH-ZDUSSCGKSA-N 1 2 268.335 3.714 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237517001 1131109909 /nfs/dbraw/zinc/10/99/09/1131109909.db2.gz XROMDEFVHUHKAH-ZDUSSCGKSA-N 1 2 268.335 3.714 20 30 CHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(F)cc2Cl)C1 ZINC001237598137 1131117159 /nfs/dbraw/zinc/11/71/59/1131117159.db2.gz IOVUGAWAQIALBP-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cc(F)cc2Cl)C1 ZINC001237598137 1131117162 /nfs/dbraw/zinc/11/71/62/1131117162.db2.gz IOVUGAWAQIALBP-SNVBAGLBSA-N 1 2 286.177 3.978 20 30 CHEDLO C#CC1CC[NH+](Cc2c(Cl)cc(F)cc2Cl)CC1 ZINC001237598076 1131117510 /nfs/dbraw/zinc/11/75/10/1131117510.db2.gz HYENNTHAWSYJQN-UHFFFAOYSA-N 1 2 286.177 3.978 20 30 CHEDLO CCc1cc(C[N@H+](CC)CCC#N)ccc1Cl ZINC001237744205 1131134165 /nfs/dbraw/zinc/13/41/65/1131134165.db2.gz JFZIDZYYOYTKTE-UHFFFAOYSA-N 1 2 250.773 3.638 20 30 CHEDLO CCc1cc(C[N@@H+](CC)CCC#N)ccc1Cl ZINC001237744205 1131134169 /nfs/dbraw/zinc/13/41/69/1131134169.db2.gz JFZIDZYYOYTKTE-UHFFFAOYSA-N 1 2 250.773 3.638 20 30 CHEDLO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccccc1C#N ZINC001116227840 1131135065 /nfs/dbraw/zinc/13/50/65/1131135065.db2.gz WMOMOOYHPYHHEU-UHFFFAOYSA-N 1 2 275.355 3.672 20 30 CHEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccccc1C#N ZINC001116227840 1131135068 /nfs/dbraw/zinc/13/50/68/1131135068.db2.gz WMOMOOYHPYHHEU-UHFFFAOYSA-N 1 2 275.355 3.672 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cncc(Cl)c1Cl ZINC001238013672 1131161957 /nfs/dbraw/zinc/16/19/57/1131161957.db2.gz XFJPQGDGGIIXML-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cncc(Cl)c1Cl ZINC001238013672 1131161958 /nfs/dbraw/zinc/16/19/58/1131161958.db2.gz XFJPQGDGGIIXML-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C#CCOc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000817950747 1131189298 /nfs/dbraw/zinc/18/92/98/1131189298.db2.gz YODZXPRHOOHJHG-AWEZNQCLSA-N 1 2 292.382 3.840 20 30 CHEDLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(OCC#N)cc1 ZINC000817949079 1131189655 /nfs/dbraw/zinc/18/96/55/1131189655.db2.gz HKOIJTGOSUENNT-CYBMUJFWSA-N 1 2 293.370 3.730 20 30 CHEDLO Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001238484668 1131207225 /nfs/dbraw/zinc/20/72/25/1131207225.db2.gz GKWPWPZRAOGWNI-OAHLLOKOSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001238484668 1131207226 /nfs/dbraw/zinc/20/72/26/1131207226.db2.gz GKWPWPZRAOGWNI-OAHLLOKOSA-N 1 2 272.392 3.518 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001238550487 1131214595 /nfs/dbraw/zinc/21/45/95/1131214595.db2.gz FEEKYCVUXDLEBK-HNNXBMFYSA-N 1 2 280.346 3.838 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001238550487 1131214598 /nfs/dbraw/zinc/21/45/98/1131214598.db2.gz FEEKYCVUXDLEBK-HNNXBMFYSA-N 1 2 280.346 3.838 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc2cc(C)ccc2[nH]1 ZINC001138415740 1131502029 /nfs/dbraw/zinc/50/20/29/1131502029.db2.gz KLIBIPCDKKSRSK-UHFFFAOYSA-N 1 2 269.392 3.992 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc2cc(C)ccc2[nH]1 ZINC001138415740 1131502031 /nfs/dbraw/zinc/50/20/31/1131502031.db2.gz KLIBIPCDKKSRSK-UHFFFAOYSA-N 1 2 269.392 3.992 20 30 CHEDLO COc1ccc(-c2cccc(C[N@H+](C)CCC#N)c2)cc1 ZINC001138612975 1131526548 /nfs/dbraw/zinc/52/65/48/1131526548.db2.gz ABMZFAJCJWJYNK-UHFFFAOYSA-N 1 2 280.371 3.708 20 30 CHEDLO COc1ccc(-c2cccc(C[N@@H+](C)CCC#N)c2)cc1 ZINC001138612975 1131526551 /nfs/dbraw/zinc/52/65/51/1131526551.db2.gz ABMZFAJCJWJYNK-UHFFFAOYSA-N 1 2 280.371 3.708 20 30 CHEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001138661895 1131534434 /nfs/dbraw/zinc/53/44/34/1131534434.db2.gz ILHCCEKKLKYNAM-DLBZAZTESA-N 1 2 295.373 3.914 20 30 CHEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001138661895 1131534439 /nfs/dbraw/zinc/53/44/39/1131534439.db2.gz ILHCCEKKLKYNAM-DLBZAZTESA-N 1 2 295.373 3.914 20 30 CHEDLO COc1c(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001143848427 1131539745 /nfs/dbraw/zinc/53/97/45/1131539745.db2.gz YDUFYVDWZICQIV-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001143848427 1131539747 /nfs/dbraw/zinc/53/97/47/1131539747.db2.gz YDUFYVDWZICQIV-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939684 1131555878 /nfs/dbraw/zinc/55/58/78/1131555878.db2.gz MAOSZNHDKLPFKO-QGZVFWFLSA-N 1 2 283.375 3.722 20 30 CHEDLO N#C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164226 1131619366 /nfs/dbraw/zinc/61/93/66/1131619366.db2.gz OCAGEGJAUWCMBT-GWCFXTLKSA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171164226 1131619369 /nfs/dbraw/zinc/61/93/69/1131619369.db2.gz OCAGEGJAUWCMBT-GWCFXTLKSA-N 1 2 295.213 3.696 20 30 CHEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000834892559 1131719540 /nfs/dbraw/zinc/71/95/40/1131719540.db2.gz LZVGTDZESJGPGY-ZNMIVQPWSA-N 1 2 295.810 3.820 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1coc(CC)n1)c1ccco1 ZINC000834896788 1131722086 /nfs/dbraw/zinc/72/20/86/1131722086.db2.gz CTEZHUQFQLDHPZ-ZDUSSCGKSA-N 1 2 260.337 3.627 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1COCc2ccccc21 ZINC001171291143 1131801834 /nfs/dbraw/zinc/80/18/34/1131801834.db2.gz WFIATZRJOWSJQB-QGZVFWFLSA-N 1 2 280.371 3.802 20 30 CHEDLO SC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC001140589762 1131814472 /nfs/dbraw/zinc/81/44/72/1131814472.db2.gz RZSGCHJXUUHYDB-UHFFFAOYSA-N 1 2 282.261 3.949 20 30 CHEDLO C=C[C@@](C)(CC)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835336683 1131819492 /nfs/dbraw/zinc/81/94/92/1131819492.db2.gz LAGTUMIUIXVARQ-SFHVURJKSA-N 1 2 298.386 3.691 20 30 CHEDLO C[C@]1(F)CCCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600483 1131820837 /nfs/dbraw/zinc/82/08/37/1131820837.db2.gz LFHYIKSPECJDQR-HNNXBMFYSA-N 1 2 280.774 3.926 20 30 CHEDLO C[C@]1(F)CCCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600483 1131820843 /nfs/dbraw/zinc/82/08/43/1131820843.db2.gz LFHYIKSPECJDQR-HNNXBMFYSA-N 1 2 280.774 3.926 20 30 CHEDLO Cc1[nH]c2ccc(O[C@H](C)c3ccccc3C#N)cc2[nH+]1 ZINC001228328196 1131860115 /nfs/dbraw/zinc/86/01/15/1131860115.db2.gz CMBMMGJYDYVCHL-LLVKDONJSA-N 1 2 277.327 3.883 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)c(F)c1 ZINC001140990469 1131980185 /nfs/dbraw/zinc/98/01/85/1131980185.db2.gz AOAZDHGQUOZPAU-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)c(F)c1 ZINC001140990469 1131980190 /nfs/dbraw/zinc/98/01/90/1131980190.db2.gz AOAZDHGQUOZPAU-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@H]2C#N)cc1 ZINC001171678015 1132077156 /nfs/dbraw/zinc/07/71/56/1132077156.db2.gz AKLHRZOKDPCXDS-WBVHZDCISA-N 1 2 256.393 3.694 20 30 CHEDLO Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@H]2C#N)cc1 ZINC001171678015 1132077162 /nfs/dbraw/zinc/07/71/62/1132077162.db2.gz AKLHRZOKDPCXDS-WBVHZDCISA-N 1 2 256.393 3.694 20 30 CHEDLO C=CCOc1ccccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001229614685 1132096748 /nfs/dbraw/zinc/09/67/48/1132096748.db2.gz WYPHOEQZEYTNFL-UHFFFAOYSA-N 1 2 295.382 3.515 20 30 CHEDLO C=C[C@@H](CCCC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954509 1132137196 /nfs/dbraw/zinc/13/71/96/1132137196.db2.gz PYOYRHZIVHQQPW-HNNXBMFYSA-N 1 2 256.349 3.996 20 30 CHEDLO C#CCC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000839138622 1132183219 /nfs/dbraw/zinc/18/32/19/1132183219.db2.gz SFFDLKAMLLTYIZ-OAHLLOKOSA-N 1 2 287.794 3.767 20 30 CHEDLO C#CCC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000839138622 1132183223 /nfs/dbraw/zinc/18/32/23/1132183223.db2.gz SFFDLKAMLLTYIZ-OAHLLOKOSA-N 1 2 287.794 3.767 20 30 CHEDLO C=C[C@@H](CCCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920550 1132228477 /nfs/dbraw/zinc/22/84/77/1132228477.db2.gz PCGZZGGATXDIIB-HNNXBMFYSA-N 1 2 273.376 3.881 20 30 CHEDLO CCCC[N@H+](CC#N)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172568936 1132272083 /nfs/dbraw/zinc/27/20/83/1132272083.db2.gz QLONAJISFTWTQR-IAGOWNOFSA-N 1 2 256.393 3.948 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172568936 1132272088 /nfs/dbraw/zinc/27/20/88/1132272088.db2.gz QLONAJISFTWTQR-IAGOWNOFSA-N 1 2 256.393 3.948 20 30 CHEDLO COCC[C@@H](C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000840709455 1132273475 /nfs/dbraw/zinc/27/34/75/1132273475.db2.gz DGERSWYOKAJPIE-FDIDITGRSA-N 1 2 271.360 3.637 20 30 CHEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001172724195 1132297083 /nfs/dbraw/zinc/29/70/83/1132297083.db2.gz OGPHXMNQBCWVAU-RDTXWAMCSA-N 1 2 291.435 3.587 20 30 CHEDLO O=C1C=C2C[N@H+](C3CCC4(CCCC4)CC3)CC[C@H]2S1 ZINC001172726790 1132299429 /nfs/dbraw/zinc/29/94/29/1132299429.db2.gz RSGPOGDVCVCYFW-OAHLLOKOSA-N 1 2 291.460 3.764 20 30 CHEDLO O=C1C=C2C[N@@H+](C3CCC4(CCCC4)CC3)CC[C@H]2S1 ZINC001172726790 1132299438 /nfs/dbraw/zinc/29/94/38/1132299438.db2.gz RSGPOGDVCVCYFW-OAHLLOKOSA-N 1 2 291.460 3.764 20 30 CHEDLO N#Cc1ccc(F)c(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001214592535 1132345147 /nfs/dbraw/zinc/34/51/47/1132345147.db2.gz DDJAYZWJXVNRIO-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC001212695085 1132373480 /nfs/dbraw/zinc/37/34/80/1132373480.db2.gz MXLDUUTYAYQMSB-UHFFFAOYSA-N 1 2 280.356 3.608 20 30 CHEDLO Cc1cc(OCc2ccccc2)ccc1C[N@H+](C)CCC#N ZINC001231848515 1132379667 /nfs/dbraw/zinc/37/96/67/1132379667.db2.gz IUFVXJPUTXTBFN-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO Cc1cc(OCc2ccccc2)ccc1C[N@@H+](C)CCC#N ZINC001231848515 1132379674 /nfs/dbraw/zinc/37/96/74/1132379674.db2.gz IUFVXJPUTXTBFN-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO CCCOC1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001173092623 1132384480 /nfs/dbraw/zinc/38/44/80/1132384480.db2.gz XPHBDDXIHTYQLI-UHFFFAOYSA-N 1 2 264.413 3.540 20 30 CHEDLO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173262088 1132430798 /nfs/dbraw/zinc/43/07/98/1132430798.db2.gz RXPQGVCKQYLOKM-LSDHHAIUSA-N 1 2 281.465 3.865 20 30 CHEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001232481645 1132477120 /nfs/dbraw/zinc/47/71/20/1132477120.db2.gz HAVXUIZSXBTCNW-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001232481645 1132477123 /nfs/dbraw/zinc/47/71/23/1132477123.db2.gz HAVXUIZSXBTCNW-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#CCC[N@H+](Cc1cc(C#N)ccn1)C1CCCCCCC1 ZINC001232480889 1132477489 /nfs/dbraw/zinc/47/74/89/1132477489.db2.gz NCJKDEZTAXQDHJ-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(C#N)ccn1)C1CCCCCCC1 ZINC001232480889 1132477495 /nfs/dbraw/zinc/47/74/95/1132477495.db2.gz NCJKDEZTAXQDHJ-UHFFFAOYSA-N 1 2 296.418 3.782 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC001232679394 1132505980 /nfs/dbraw/zinc/50/59/80/1132505980.db2.gz IXKMOBLATBPRHQ-AWEZNQCLSA-N 1 2 284.384 3.662 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC001232679394 1132505981 /nfs/dbraw/zinc/50/59/81/1132505981.db2.gz IXKMOBLATBPRHQ-AWEZNQCLSA-N 1 2 284.384 3.662 20 30 CHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC001232673547 1132506811 /nfs/dbraw/zinc/50/68/11/1132506811.db2.gz IUFFPZPRESCILZ-UHFFFAOYSA-N 1 2 284.403 3.810 20 30 CHEDLO CC[C@H](C#N)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173685266 1132507888 /nfs/dbraw/zinc/50/78/88/1132507888.db2.gz PEOLEKSKCSNPOX-KLHKWILBSA-N 1 2 268.404 3.705 20 30 CHEDLO C[N@H+](C/C=C/c1ccccc1)Cc1cc(F)ccc1C#N ZINC001232892670 1132537217 /nfs/dbraw/zinc/53/72/17/1132537217.db2.gz DAOMAZPDNXCHQW-VMPITWQZSA-N 1 2 280.346 3.843 20 30 CHEDLO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(F)ccc1C#N ZINC001232892670 1132537219 /nfs/dbraw/zinc/53/72/19/1132537219.db2.gz DAOMAZPDNXCHQW-VMPITWQZSA-N 1 2 280.346 3.843 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)n1 ZINC001232927260 1132543853 /nfs/dbraw/zinc/54/38/53/1132543853.db2.gz WHWQWLDOFAUDFN-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)n1 ZINC001232927260 1132543858 /nfs/dbraw/zinc/54/38/58/1132543858.db2.gz WHWQWLDOFAUDFN-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001233386252 1132614521 /nfs/dbraw/zinc/61/45/21/1132614521.db2.gz LUMOSNSDJHZCEV-UHFFFAOYSA-N 1 2 296.414 3.664 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001233386252 1132614524 /nfs/dbraw/zinc/61/45/24/1132614524.db2.gz LUMOSNSDJHZCEV-UHFFFAOYSA-N 1 2 296.414 3.664 20 30 CHEDLO C=CCN(c1nc(C)[nH+]c(C)c1C)C1CCCCC1 ZINC001157851199 1132749742 /nfs/dbraw/zinc/74/97/42/1132749742.db2.gz ZTCBOSPJULKARV-UHFFFAOYSA-N 1 2 259.397 3.727 20 30 CHEDLO C=CCCCNc1cc([C@@H](CC(=O)OC)C2CC2)cc[nH+]1 ZINC001159262420 1132821085 /nfs/dbraw/zinc/82/10/85/1132821085.db2.gz OPTZSFQGAWHJCT-HNNXBMFYSA-N 1 2 288.391 3.516 20 30 CHEDLO Cc1cc(C)c(Nc2cccc3[nH+]c[nH]c32)cc1C#N ZINC001213034678 1133016447 /nfs/dbraw/zinc/01/64/47/1133016447.db2.gz XBXBOBFWBWACSS-UHFFFAOYSA-N 1 2 262.316 3.795 20 30 CHEDLO Cc1c(C#N)c(NC(=[NH2+])C(C)(C)C)nc2ccccc12 ZINC001162662278 1133102020 /nfs/dbraw/zinc/10/20/20/1133102020.db2.gz RWTMJFCPBRRBFG-UHFFFAOYSA-N 1 2 266.348 3.850 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NC(C)=CC(C)=O)c1 ZINC001163741921 1133170069 /nfs/dbraw/zinc/17/00/69/1133170069.db2.gz MHOMAENMMYPMDX-RAXLEYEMSA-N 1 2 260.381 3.746 20 30 CHEDLO COc1cc2cc[nH+]c(N3CCC[C@@H](CC#N)C3)c2cc1F ZINC001166743102 1133284667 /nfs/dbraw/zinc/28/46/67/1133284667.db2.gz VMRDVTGNGRUDNR-LBPRGKRZSA-N 1 2 299.349 3.513 20 30 CHEDLO CCOc1cc(NC=Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC001203298631 1133311491 /nfs/dbraw/zinc/31/14/91/1133311491.db2.gz PHYYVOLIIDNSAI-CMDGGOBGSA-N 1 2 279.343 3.743 20 30 CHEDLO Cc1ccc(Nc2c(Cl)cccc2C#N)c(C)[nH+]1 ZINC001203374395 1133320082 /nfs/dbraw/zinc/32/00/82/1133320082.db2.gz JBYAONNXKRAPFO-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2cc(F)c(C#N)cc2F)c1 ZINC001203662999 1133349808 /nfs/dbraw/zinc/34/98/08/1133349808.db2.gz CPISOONKVKPVQK-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CSc1cc(Nc2ccc(C#N)c(F)c2)cc[nH+]1 ZINC001204058933 1133404925 /nfs/dbraw/zinc/40/49/25/1133404925.db2.gz BBKRIUZBWRDBCS-UHFFFAOYSA-N 1 2 259.309 3.558 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccc(C#N)c(F)c2)cc1 ZINC001204086708 1133406359 /nfs/dbraw/zinc/40/63/59/1133406359.db2.gz CTDOJFMLUHOAOD-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccc(C#N)c(F)c2)cc1 ZINC001204086708 1133406363 /nfs/dbraw/zinc/40/63/63/1133406363.db2.gz CTDOJFMLUHOAOD-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO C#Cc1ccc(C[N@@H+](CC)Cc2c(F)cccc2F)cc1 ZINC001204188686 1133417568 /nfs/dbraw/zinc/41/75/68/1133417568.db2.gz VSSKHNXLEBZZJH-UHFFFAOYSA-N 1 2 285.337 3.968 20 30 CHEDLO C#Cc1ccc(C[N@H+](CC)Cc2c(F)cccc2F)cc1 ZINC001204188686 1133417571 /nfs/dbraw/zinc/41/75/71/1133417571.db2.gz VSSKHNXLEBZZJH-UHFFFAOYSA-N 1 2 285.337 3.968 20 30 CHEDLO N#Cc1oc2ccccc2c1Nc1ccn2cc[nH+]c2c1 ZINC001204959801 1133507633 /nfs/dbraw/zinc/50/76/33/1133507633.db2.gz VVPAFJXEAMXLJF-UHFFFAOYSA-N 1 2 274.283 3.696 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206827301 1133752735 /nfs/dbraw/zinc/75/27/35/1133752735.db2.gz JFCVEJAPOSTVCS-UHFFFAOYSA-N 1 2 284.359 3.524 20 30 CHEDLO CCCCCCC/C=C/CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001208118009 1133879736 /nfs/dbraw/zinc/87/97/36/1133879736.db2.gz AUZPUPCHTLKXMA-FDMDGMSGSA-N 1 2 282.447 3.631 20 30 CHEDLO CCCCCCC/C=C/CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001208118009 1133879741 /nfs/dbraw/zinc/87/97/41/1133879741.db2.gz AUZPUPCHTLKXMA-FDMDGMSGSA-N 1 2 282.447 3.631 20 30 CHEDLO CCCCCCC/C=C/C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001208118009 1133879748 /nfs/dbraw/zinc/87/97/48/1133879748.db2.gz AUZPUPCHTLKXMA-FDMDGMSGSA-N 1 2 282.447 3.631 20 30 CHEDLO N#CCC[N@@H+](CCCc1ccc(F)cc1)Cc1cccnc1 ZINC001208767973 1133940847 /nfs/dbraw/zinc/94/08/47/1133940847.db2.gz OUWGXSQICOWGTM-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO N#CCC[N@H+](CCCc1ccc(F)cc1)Cc1cccnc1 ZINC001208767973 1133940849 /nfs/dbraw/zinc/94/08/49/1133940849.db2.gz OUWGXSQICOWGTM-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO C#CCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001209269627 1133999913 /nfs/dbraw/zinc/99/99/13/1133999913.db2.gz YCUPMKRFEIRVIL-OAHLLOKOSA-N 1 2 295.348 3.739 20 30 CHEDLO C#CCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001209269627 1133999920 /nfs/dbraw/zinc/99/99/20/1133999920.db2.gz YCUPMKRFEIRVIL-OAHLLOKOSA-N 1 2 295.348 3.739 20 30 CHEDLO C=CCCCCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209443326 1134022569 /nfs/dbraw/zinc/02/25/69/1134022569.db2.gz QRLGQANERFDGFP-OAHLLOKOSA-N 1 2 289.410 3.853 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209443326 1134022572 /nfs/dbraw/zinc/02/25/72/1134022572.db2.gz QRLGQANERFDGFP-OAHLLOKOSA-N 1 2 289.410 3.853 20 30 CHEDLO Cc1ccc(Nc2ccc([NH+](C)C)c(C)c2)c(C#N)c1 ZINC001210041297 1134130784 /nfs/dbraw/zinc/13/07/84/1134130784.db2.gz KPRZKIPLBKKOAO-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc([NH+](C)C)c(C)c2)c1 ZINC001210041388 1134130917 /nfs/dbraw/zinc/13/09/17/1134130917.db2.gz OMIHFENTSOMXOF-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO COc1ccc(C#N)c(Nc2ccc([NH+](C)C)c(C)c2)c1 ZINC001210044178 1134133291 /nfs/dbraw/zinc/13/32/91/1134133291.db2.gz UZMAXLTYZMCKBK-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO C#Cc1ccc(Nc2ccc([NH+](C)C)c(C)c2)cc1F ZINC001210044021 1134133446 /nfs/dbraw/zinc/13/34/46/1134133446.db2.gz JWPPIDOOHLUJME-UHFFFAOYSA-N 1 2 268.335 3.925 20 30 CHEDLO N#Cc1nc(Cl)ccc1Nc1cccc2cc[nH+]cc21 ZINC001210222740 1134170223 /nfs/dbraw/zinc/17/02/23/1134170223.db2.gz WAUVUBGPMNHMCC-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO Cc1[nH+]cc(Nc2c(C#N)ccc3ccccc32)cc1N ZINC001210288842 1134186411 /nfs/dbraw/zinc/18/64/11/1134186411.db2.gz VCJKBKKFAYIEKR-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO CCc1cc(Nc2c[nH+]c(C)c(N)c2)cc(CC)c1C#N ZINC001210290945 1134187575 /nfs/dbraw/zinc/18/75/75/1134187575.db2.gz GQEPCSPCRPISDI-UHFFFAOYSA-N 1 2 280.375 3.712 20 30 CHEDLO Cc1[nH+]cc(Nc2cccc3c(C#N)cccc23)cc1N ZINC001210291272 1134187775 /nfs/dbraw/zinc/18/77/75/1134187775.db2.gz XYCSOKQZPIGXIF-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)c(C#N)c1 ZINC001210566809 1134250773 /nfs/dbraw/zinc/25/07/73/1134250773.db2.gz SDEUXDSALFQDOS-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)c(C#N)c1 ZINC001210566642 1134251103 /nfs/dbraw/zinc/25/11/03/1134251103.db2.gz NBVRILJPHAVIND-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO N#CC1(c2cccc(Nc3cccc4[nH+]ccn43)c2)CC1 ZINC001213312057 1134440695 /nfs/dbraw/zinc/44/06/95/1134440695.db2.gz QOHKTUYJXGOVJP-UHFFFAOYSA-N 1 2 274.327 3.633 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(F)cc2C#N)c1C ZINC001213534139 1134462523 /nfs/dbraw/zinc/46/25/23/1134462523.db2.gz OHZVMYCDERLVSK-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO COc1ccc(C#N)c(Nc2cc(C3CC3)c[nH+]c2C)c1 ZINC001213499707 1134455020 /nfs/dbraw/zinc/45/50/20/1134455020.db2.gz WYAIBFBIOKGNLH-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO COc1cccc(C#N)c1Nc1cc(C2CC2)c[nH+]c1C ZINC001213499495 1134455088 /nfs/dbraw/zinc/45/50/88/1134455088.db2.gz LQOOAPNBACWPHM-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1cc(C)c(Nc2nc(Cl)cc(C)c2C#N)c[nH+]1 ZINC001213513405 1134457802 /nfs/dbraw/zinc/45/78/02/1134457802.db2.gz IXFYFNJRFYWECC-UHFFFAOYSA-N 1 2 272.739 3.671 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)c(C)cc2C#N)c[nH+]1 ZINC001213521067 1134458873 /nfs/dbraw/zinc/45/88/73/1134458873.db2.gz RLGSMLDDRWWCPX-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(C(C)(C)C#N)nc2)c1C ZINC001213525047 1134460092 /nfs/dbraw/zinc/46/00/92/1134460092.db2.gz LXLYNHVAGXTZMT-UHFFFAOYSA-N 1 2 266.348 3.638 20 30 CHEDLO Cc1c[nH+]cc(Nc2c(F)cc(C#N)cc2F)c1C ZINC001213530817 1134461156 /nfs/dbraw/zinc/46/11/56/1134461156.db2.gz MSVOSXCUOWOZJG-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c[nH+]cc(Nc2c(F)ccc(F)c2C#N)c1C ZINC001213534019 1134463202 /nfs/dbraw/zinc/46/32/02/1134463202.db2.gz IBAFMIUECQBUEK-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1ccc(C)c(Nc2cccc(Cl)c2C#N)[nH+]1 ZINC001216127125 1134786341 /nfs/dbraw/zinc/78/63/41/1134786341.db2.gz LQUDAIRHBFVZKX-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cn2c(cccc2Nc2cccc(C#N)c2C)[nH+]1 ZINC001216173855 1134794479 /nfs/dbraw/zinc/79/44/79/1134794479.db2.gz PVMXBHFCBKPCTA-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1cc(CO[C@H](C#N)c2ccccc2F)cc(C)[nH+]1 ZINC001223426193 1135344864 /nfs/dbraw/zinc/34/48/64/1135344864.db2.gz ZWLNRKMUDCOPES-MRXNPFEDSA-N 1 2 270.307 3.619 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000184095267 262008767 /nfs/dbraw/zinc/00/87/67/262008767.db2.gz NYEXXDFWGRQOLB-JTQLQIEISA-N 1 2 277.418 3.653 20 30 CHEDLO COc1cc(C[NH2+]C2(C(F)F)CCCCC2)ccc1C#N ZINC000512848907 260053202 /nfs/dbraw/zinc/05/32/02/260053202.db2.gz AAAZDLIKSLXOFL-UHFFFAOYSA-N 1 2 294.345 3.624 20 30 CHEDLO C[C@@H](CC[N@H+](CC#N)C1CCCC1)OCc1ccccc1 ZINC000354904195 533573275 /nfs/dbraw/zinc/57/32/75/533573275.db2.gz AVCABJSXTZKULU-INIZCTEOSA-N 1 2 286.419 3.750 20 30 CHEDLO C[C@@H](CC[N@@H+](CC#N)C1CCCC1)OCc1ccccc1 ZINC000354904195 533573279 /nfs/dbraw/zinc/57/32/79/533573279.db2.gz AVCABJSXTZKULU-INIZCTEOSA-N 1 2 286.419 3.750 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1C ZINC000356067786 228108803 /nfs/dbraw/zinc/10/88/03/228108803.db2.gz RQXNFJPYDMSXJJ-INIZCTEOSA-N 1 2 297.427 3.969 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1C ZINC000356067786 228108805 /nfs/dbraw/zinc/10/88/05/228108805.db2.gz RQXNFJPYDMSXJJ-INIZCTEOSA-N 1 2 297.427 3.969 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131160 228193670 /nfs/dbraw/zinc/19/36/70/228193670.db2.gz LHUSZOMNPGNMAH-WFASDCNBSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@H]1CC[C@H]([N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131160 228193671 /nfs/dbraw/zinc/19/36/71/228193671.db2.gz LHUSZOMNPGNMAH-WFASDCNBSA-N 1 2 299.805 3.803 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000298712831 260161872 /nfs/dbraw/zinc/16/18/72/260161872.db2.gz AUBGQCSJBAFKQQ-ZETCQYMHSA-N 1 2 284.734 3.955 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)o1 ZINC000312774723 260201428 /nfs/dbraw/zinc/20/14/28/260201428.db2.gz WWKBZROUHXHAMU-UHFFFAOYSA-N 1 2 287.171 3.809 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000054181984 260216652 /nfs/dbraw/zinc/21/66/52/260216652.db2.gz OJVMUODGTKUGKB-LLVKDONJSA-N 1 2 257.164 3.775 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000064932104 260242458 /nfs/dbraw/zinc/24/24/58/260242458.db2.gz UGUZRIMPQPNOHP-SECBINFHSA-N 1 2 257.164 3.727 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000064932104 260242460 /nfs/dbraw/zinc/24/24/60/260242460.db2.gz UGUZRIMPQPNOHP-SECBINFHSA-N 1 2 257.164 3.727 20 30 CHEDLO C=CC[N@@H+](Cc1noc(C2CC2)n1)CC1CCCCC1 ZINC000069860152 260296089 /nfs/dbraw/zinc/29/60/89/260296089.db2.gz JYLPCYQHWBYUKX-UHFFFAOYSA-N 1 2 275.396 3.515 20 30 CHEDLO C=CC[N@H+](Cc1noc(C2CC2)n1)CC1CCCCC1 ZINC000069860152 260296091 /nfs/dbraw/zinc/29/60/91/260296091.db2.gz JYLPCYQHWBYUKX-UHFFFAOYSA-N 1 2 275.396 3.515 20 30 CHEDLO CCOc1cccc(Cl)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000518394667 260398133 /nfs/dbraw/zinc/39/81/33/260398133.db2.gz WKLKYAITMLOTEU-UHFFFAOYSA-N 1 2 292.810 3.864 20 30 CHEDLO COc1cccc(CCC[N@@H+]2CCCC(C)(C)[C@H]2C#N)c1 ZINC000444726978 261135617 /nfs/dbraw/zinc/13/56/17/261135617.db2.gz JPYBMKPVQNXFDL-QGZVFWFLSA-N 1 2 286.419 3.642 20 30 CHEDLO COc1cccc(CCC[N@H+]2CCCC(C)(C)[C@H]2C#N)c1 ZINC000444726978 261135619 /nfs/dbraw/zinc/13/56/19/261135619.db2.gz JPYBMKPVQNXFDL-QGZVFWFLSA-N 1 2 286.419 3.642 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000184095283 262008904 /nfs/dbraw/zinc/00/89/04/262008904.db2.gz NYEXXDFWGRQOLB-SNVBAGLBSA-N 1 2 277.418 3.653 20 30 CHEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(N3CCCC3)c(F)c2)C1 ZINC000185728130 262068663 /nfs/dbraw/zinc/06/86/63/262068663.db2.gz YGMNZBQCKMSJQQ-KBPBESRZSA-N 1 2 287.382 3.920 20 30 CHEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000186684272 262105702 /nfs/dbraw/zinc/10/57/02/262105702.db2.gz JZQAWHLTZDLXCK-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1ncc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000186684272 262105704 /nfs/dbraw/zinc/10/57/04/262105704.db2.gz JZQAWHLTZDLXCK-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO C=C(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000187769421 262143326 /nfs/dbraw/zinc/14/33/26/262143326.db2.gz ZUOUTHKKPHWCQN-BLLLJJGKSA-N 1 2 289.329 3.615 20 30 CHEDLO C#CCC(C)(C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000364323458 262202192 /nfs/dbraw/zinc/20/21/92/262202192.db2.gz YWKGCMVBRKMIOT-UHFFFAOYSA-N 1 2 295.386 3.682 20 30 CHEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000193186253 262217943 /nfs/dbraw/zinc/21/79/43/262217943.db2.gz FQNUVPMTSAHRGU-CHWSQXEVSA-N 1 2 284.338 3.506 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000194134575 262233713 /nfs/dbraw/zinc/23/37/13/262233713.db2.gz NEXVOLOICNIBPO-HIFRSBDPSA-N 1 2 280.375 3.581 20 30 CHEDLO CCC[N@H+](Cc1ncc(CC)o1)Cc1ccc(C#N)cc1 ZINC000525787934 262238801 /nfs/dbraw/zinc/23/88/01/262238801.db2.gz MHIFMYSKIJKQPX-UHFFFAOYSA-N 1 2 283.375 3.521 20 30 CHEDLO CCC[N@@H+](Cc1ncc(CC)o1)Cc1ccc(C#N)cc1 ZINC000525787934 262238803 /nfs/dbraw/zinc/23/88/03/262238803.db2.gz MHIFMYSKIJKQPX-UHFFFAOYSA-N 1 2 283.375 3.521 20 30 CHEDLO Cc1cccc(C)c1OC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000411469299 262695160 /nfs/dbraw/zinc/69/51/60/262695160.db2.gz AIDSVYISXSXYCA-GOSISDBHSA-N 1 2 294.398 3.927 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000272602131 263007384 /nfs/dbraw/zinc/00/73/84/263007384.db2.gz RAAODCKLSDXGIH-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO Cc1cccc2[nH+]c(CSCCC(C)(C)C#N)cn21 ZINC000276627647 263037642 /nfs/dbraw/zinc/03/76/42/263037642.db2.gz PGYZCZFVVFQANR-UHFFFAOYSA-N 1 2 273.405 3.816 20 30 CHEDLO COCc1cc(NCCCCC#N)c2cc(F)ccc2[nH+]1 ZINC000290678367 263118270 /nfs/dbraw/zinc/11/82/70/263118270.db2.gz SBQHYLWDGLFTJK-UHFFFAOYSA-N 1 2 287.338 3.626 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974651 263153570 /nfs/dbraw/zinc/15/35/70/263153570.db2.gz DGODYJSBMBKQFC-SWLSCSKDSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974651 263153571 /nfs/dbraw/zinc/15/35/71/263153571.db2.gz DGODYJSBMBKQFC-SWLSCSKDSA-N 1 2 299.805 3.803 20 30 CHEDLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1ccc(C#N)cc1 ZINC000453251373 263210591 /nfs/dbraw/zinc/21/05/91/263210591.db2.gz SYGZZSNFWUJOAR-OLZOCXBDSA-N 1 2 252.308 3.643 20 30 CHEDLO N#CCC[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000297943529 263212914 /nfs/dbraw/zinc/21/29/14/263212914.db2.gz AMOALWAKSUMLEP-ZDUSSCGKSA-N 1 2 269.175 3.948 20 30 CHEDLO C[N@H+](CCCC#N)Cc1c(Cl)cccc1Cl ZINC000299383548 263240809 /nfs/dbraw/zinc/24/08/09/263240809.db2.gz OWHYCEPYHXREGJ-UHFFFAOYSA-N 1 2 257.164 3.729 20 30 CHEDLO C[N@@H+](CCCC#N)Cc1c(Cl)cccc1Cl ZINC000299383548 263240813 /nfs/dbraw/zinc/24/08/13/263240813.db2.gz OWHYCEPYHXREGJ-UHFFFAOYSA-N 1 2 257.164 3.729 20 30 CHEDLO Cc1cc[nH+]c(NCC(C)(C)CCC#N)c1Cl ZINC000340902259 263308825 /nfs/dbraw/zinc/30/88/25/263308825.db2.gz QNMDXFZRTLBQSL-UHFFFAOYSA-N 1 2 251.761 3.785 20 30 CHEDLO Cc1cc[nH+]c(NCC(C)(C)CCC#N)c1Br ZINC000340941826 263313575 /nfs/dbraw/zinc/31/35/75/263313575.db2.gz VDJOJQOVLVTOFF-UHFFFAOYSA-N 1 2 296.212 3.894 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000341996557 263373873 /nfs/dbraw/zinc/37/38/73/263373873.db2.gz HHXMMBGCUQYPNL-UHFFFAOYSA-N 1 2 272.323 3.633 20 30 CHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000341992199 263382498 /nfs/dbraw/zinc/38/24/98/263382498.db2.gz CACRIPFQZCYYCW-MRXNPFEDSA-N 1 2 286.419 3.591 20 30 CHEDLO Cc1cc(C)c(NC(=O)NC[C@@H]2CC=CCC2)c(C)[nH+]1 ZINC000331249212 264180263 /nfs/dbraw/zinc/18/02/63/264180263.db2.gz XMLILRLZBYYRIY-CQSZACIVSA-N 1 2 273.380 3.689 20 30 CHEDLO CC[C@H](C)[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331342779 264196209 /nfs/dbraw/zinc/19/62/09/264196209.db2.gz TZKOTLPDVDEXDA-JOYOIKCWSA-N 1 2 263.385 3.767 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(F)ccc1Cl)CC1CC1 ZINC000189067551 264267258 /nfs/dbraw/zinc/26/72/58/264267258.db2.gz IJSFJGDMTUZNDC-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CCC[N@H+](Cc1cc(F)ccc1Cl)CC1CC1 ZINC000189067551 264267260 /nfs/dbraw/zinc/26/72/60/264267260.db2.gz IJSFJGDMTUZNDC-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C=CCCCN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077445422 264356155 /nfs/dbraw/zinc/35/61/55/264356155.db2.gz IMFOCSVPBXBZRZ-UHFFFAOYSA-N 1 2 298.390 3.517 20 30 CHEDLO C=CCCCCCN(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356168831 266061651 /nfs/dbraw/zinc/06/16/51/266061651.db2.gz MDTMRISLXNBGHM-UHFFFAOYSA-N 1 2 299.418 3.700 20 30 CHEDLO Cc1ccc(CNc2ccc(C#N)cc2Cl)c(C)[nH+]1 ZINC000358201496 266438804 /nfs/dbraw/zinc/43/88/04/266438804.db2.gz NJBVLTOJFUGIJR-UHFFFAOYSA-N 1 2 271.751 3.836 20 30 CHEDLO C=C[C@@H]1CCCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000362843631 267053828 /nfs/dbraw/zinc/05/38/28/267053828.db2.gz QRPJCQWZUSZWAL-CQSZACIVSA-N 1 2 256.324 3.919 20 30 CHEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119533965 267343677 /nfs/dbraw/zinc/34/36/77/267343677.db2.gz MAGDWMVCGFGQBU-UHFFFAOYSA-N 1 2 299.349 3.749 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CCC1 ZINC000418139612 267362661 /nfs/dbraw/zinc/36/26/61/267362661.db2.gz HVIGAKUEKMBTNI-UHFFFAOYSA-N 1 2 266.344 3.730 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CCC1 ZINC000418143965 267365456 /nfs/dbraw/zinc/36/54/56/267365456.db2.gz ROYQAKJQMBONEV-UHFFFAOYSA-N 1 2 284.334 3.869 20 30 CHEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160927859 328095366 /nfs/dbraw/zinc/09/53/66/328095366.db2.gz MPZRRYZWTUVMJI-GOSISDBHSA-N 1 2 297.377 3.763 20 30 CHEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000160927859 328095368 /nfs/dbraw/zinc/09/53/68/328095368.db2.gz MPZRRYZWTUVMJI-GOSISDBHSA-N 1 2 297.377 3.763 20 30 CHEDLO CC(C)(C#N)CCCC[N@H+](CCC#N)Cc1ccco1 ZINC000277737419 328222258 /nfs/dbraw/zinc/22/22/58/328222258.db2.gz OPPHRIQHMDZPGR-UHFFFAOYSA-N 1 2 273.380 3.715 20 30 CHEDLO CC(C)(C#N)CCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000277737419 328222260 /nfs/dbraw/zinc/22/22/60/328222260.db2.gz OPPHRIQHMDZPGR-UHFFFAOYSA-N 1 2 273.380 3.715 20 30 CHEDLO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000287473675 328251185 /nfs/dbraw/zinc/25/11/85/328251185.db2.gz WNMKFRBWAFGTAK-LRVUVFPRSA-N 1 2 296.336 3.931 20 30 CHEDLO CCc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000583385138 327336627 /nfs/dbraw/zinc/33/66/27/327336627.db2.gz ULEMTJZYLYMANF-UHFFFAOYSA-N 1 2 295.386 3.939 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC000428473212 327387191 /nfs/dbraw/zinc/38/71/91/327387191.db2.gz LQVWEPWRHDLZAI-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC000428473212 327387194 /nfs/dbraw/zinc/38/71/94/327387194.db2.gz LQVWEPWRHDLZAI-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358587496 328888228 /nfs/dbraw/zinc/88/82/28/328888228.db2.gz KLIMNPZOOYOSRM-NXEZZACHSA-N 1 2 289.379 3.874 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(F)ccc1F ZINC000171946256 329082396 /nfs/dbraw/zinc/08/23/96/329082396.db2.gz RXXHPAVLHUFVSS-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(F)ccc1F ZINC000171946256 329082398 /nfs/dbraw/zinc/08/23/98/329082398.db2.gz RXXHPAVLHUFVSS-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175086079 329162780 /nfs/dbraw/zinc/16/27/80/329162780.db2.gz BWZCNBWVXSMTBT-UHFFFAOYSA-N 1 2 272.323 3.655 20 30 CHEDLO C=CCCCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000178671958 329201202 /nfs/dbraw/zinc/20/12/02/329201202.db2.gz HETSAZFMBZVQTK-UHFFFAOYSA-N 1 2 262.353 3.554 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000184082583 329255885 /nfs/dbraw/zinc/25/58/85/329255885.db2.gz GZQGJKSSNCENFN-CYBMUJFWSA-N 1 2 291.826 3.722 20 30 CHEDLO CC[C@@H](CC#N)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000583033031 329305509 /nfs/dbraw/zinc/30/55/09/329305509.db2.gz AWZKRHIWHKCAEC-FZMZJTMJSA-N 1 2 252.308 3.698 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000186495325 329343305 /nfs/dbraw/zinc/34/33/05/329343305.db2.gz CJIPPIYREUKSPZ-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000186495325 329343306 /nfs/dbraw/zinc/34/33/06/329343306.db2.gz CJIPPIYREUKSPZ-UHFFFAOYSA-N 1 2 295.773 3.715 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1nccs1 ZINC000187487894 329358254 /nfs/dbraw/zinc/35/82/54/329358254.db2.gz PVXINNKRLVMAJG-CYBMUJFWSA-N 1 2 291.807 3.909 20 30 CHEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(C(F)F)c3)n2c1 ZINC000128537895 329609211 /nfs/dbraw/zinc/60/92/11/329609211.db2.gz RISJVRSOINKTGQ-UHFFFAOYSA-N 1 2 298.296 3.756 20 30 CHEDLO C=C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000264444222 330061436 /nfs/dbraw/zinc/06/14/36/330061436.db2.gz GLYJFTAKMGQLLM-UHFFFAOYSA-N 1 2 289.766 3.542 20 30 CHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000272004182 330084564 /nfs/dbraw/zinc/08/45/64/330084564.db2.gz ITIASGNSSUIOFG-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000272004182 330084566 /nfs/dbraw/zinc/08/45/66/330084566.db2.gz ITIASGNSSUIOFG-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ncnn1CC(C)C)Cc1ccccc1 ZINC000279217804 330122363 /nfs/dbraw/zinc/12/23/63/330122363.db2.gz CLZWVWTYKCXHAA-UHFFFAOYSA-N 1 2 298.434 3.512 20 30 CHEDLO C=C(C)C[N@H+](Cc1ncnn1CC(C)C)Cc1ccccc1 ZINC000279217804 330122365 /nfs/dbraw/zinc/12/23/65/330122365.db2.gz CLZWVWTYKCXHAA-UHFFFAOYSA-N 1 2 298.434 3.512 20 30 CHEDLO N#CC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000032182013 330238036 /nfs/dbraw/zinc/23/80/36/330238036.db2.gz RLNXACYGXGKNKT-UHFFFAOYSA-N 1 2 299.201 3.608 20 30 CHEDLO CC[C@](C)([NH2+]CCCC(C)(C)C#N)C(F)(F)F ZINC000533066667 330325686 /nfs/dbraw/zinc/32/56/86/330325686.db2.gz CTCLMGWQFCKTBS-NSHDSACASA-N 1 2 250.308 3.637 20 30 CHEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000536894972 330362554 /nfs/dbraw/zinc/36/25/54/330362554.db2.gz XXVQGVFVGCBSNB-OAHLLOKOSA-N 1 2 265.784 3.680 20 30 CHEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000536894972 330362555 /nfs/dbraw/zinc/36/25/55/330362555.db2.gz XXVQGVFVGCBSNB-OAHLLOKOSA-N 1 2 265.784 3.680 20 30 CHEDLO CCCc1cc(N(C)C[C@@H](C)C#N)c2ccccc2[nH+]1 ZINC000536985845 330375799 /nfs/dbraw/zinc/37/57/99/330375799.db2.gz YDOZZSFFULBTEW-ZDUSSCGKSA-N 1 2 267.376 3.783 20 30 CHEDLO Cn1c[nH+]cc1COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000439554141 330740399 /nfs/dbraw/zinc/74/03/99/330740399.db2.gz XQDZRPZMSIFUNS-UHFFFAOYSA-N 1 2 289.338 3.538 20 30 CHEDLO Cc1[nH+]c2ccccn2c1CSc1ccccc1C#N ZINC000439697586 330742052 /nfs/dbraw/zinc/74/20/52/330742052.db2.gz LAOQHDSVLCLADA-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO CC1(C#N)CCC(Nc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000449233736 330908040 /nfs/dbraw/zinc/90/80/40/330908040.db2.gz MUYRAUHXLSDEOV-UHFFFAOYSA-N 1 2 269.392 3.845 20 30 CHEDLO Cc1ccc[nH+]c1CCCNc1c(F)cc(C#N)cc1F ZINC000450727911 330996450 /nfs/dbraw/zinc/99/64/50/330996450.db2.gz ZTXXFUVQCFCSKG-UHFFFAOYSA-N 1 2 287.313 3.585 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451792661 331042154 /nfs/dbraw/zinc/04/21/54/331042154.db2.gz ALXDQIXZDLFFOJ-MRXNPFEDSA-N 1 2 290.382 3.529 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451792661 331042155 /nfs/dbraw/zinc/04/21/55/331042155.db2.gz ALXDQIXZDLFFOJ-MRXNPFEDSA-N 1 2 290.382 3.529 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1ccncn1)c1ccc(F)c(F)c1 ZINC000453199462 331100617 /nfs/dbraw/zinc/10/06/17/331100617.db2.gz QFGMVRSNMHZWPN-BDJLRTHQSA-N 1 2 289.329 3.723 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(C)(F)F ZINC000453299592 331112904 /nfs/dbraw/zinc/11/29/04/331112904.db2.gz UWROSOZQMPQFFH-XHDPSFHLSA-N 1 2 278.346 3.959 20 30 CHEDLO CC(C)(C)C1=CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459380488 331279334 /nfs/dbraw/zinc/27/93/34/331279334.db2.gz SXTGJHXLJLFGMF-UHFFFAOYSA-N 1 2 299.374 3.645 20 30 CHEDLO CC(C)(C)C1=CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459380488 331279335 /nfs/dbraw/zinc/27/93/35/331279335.db2.gz SXTGJHXLJLFGMF-UHFFFAOYSA-N 1 2 299.374 3.645 20 30 CHEDLO Cc1cc(OCc2ccccc2C#N)c2ccccc2[nH+]1 ZINC000486231446 331933812 /nfs/dbraw/zinc/93/38/12/331933812.db2.gz VYAZRIOJASHIGX-UHFFFAOYSA-N 1 2 274.323 3.994 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000489397685 332049904 /nfs/dbraw/zinc/04/99/04/332049904.db2.gz FPWOQISAEOUYEU-CYBMUJFWSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000489397685 332049905 /nfs/dbraw/zinc/04/99/05/332049905.db2.gz FPWOQISAEOUYEU-CYBMUJFWSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000489410961 332050786 /nfs/dbraw/zinc/05/07/86/332050786.db2.gz VKHXZEXZSYVAQM-ZDUSSCGKSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000489410961 332050787 /nfs/dbraw/zinc/05/07/87/332050787.db2.gz VKHXZEXZSYVAQM-ZDUSSCGKSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(C2CC2)c1C ZINC000489439088 332052213 /nfs/dbraw/zinc/05/22/13/332052213.db2.gz YAZGFBYABPOTJN-HNNXBMFYSA-N 1 2 286.419 3.663 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(C2CC2)c1C ZINC000489439088 332052215 /nfs/dbraw/zinc/05/22/15/332052215.db2.gz YAZGFBYABPOTJN-HNNXBMFYSA-N 1 2 286.419 3.663 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000489466630 332054207 /nfs/dbraw/zinc/05/42/07/332054207.db2.gz YSFVJXVPHUYGLK-GFCCVEGCSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000489466630 332054209 /nfs/dbraw/zinc/05/42/09/332054209.db2.gz YSFVJXVPHUYGLK-GFCCVEGCSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000489501251 332056981 /nfs/dbraw/zinc/05/69/81/332056981.db2.gz UOSCGTZOZCATHH-CQSZACIVSA-N 1 2 283.375 3.586 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000489501251 332056982 /nfs/dbraw/zinc/05/69/82/332056982.db2.gz UOSCGTZOZCATHH-CQSZACIVSA-N 1 2 283.375 3.586 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccc(F)cc1 ZINC000491252896 332174658 /nfs/dbraw/zinc/17/46/58/332174658.db2.gz KDVPUMIPSRZMAK-GOSISDBHSA-N 1 2 297.377 3.601 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(Cl)cc1F ZINC000491497187 332223571 /nfs/dbraw/zinc/22/35/71/332223571.db2.gz WEJVXAWIQNDKOX-CQSZACIVSA-N 1 2 294.782 3.708 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnc(C)s1)c1ccc(Cl)cc1F ZINC000491497186 332223626 /nfs/dbraw/zinc/22/36/26/332223626.db2.gz WEJVXAWIQNDKOX-AWEZNQCLSA-N 1 2 294.782 3.708 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000491738330 332317925 /nfs/dbraw/zinc/31/79/25/332317925.db2.gz WPNNYAILFVFJDS-QGZVFWFLSA-N 1 2 298.748 3.815 20 30 CHEDLO C=C1CC[NH+](Cc2cccc(Cl)c2OCC)CC1 ZINC000494935603 332493113 /nfs/dbraw/zinc/49/31/13/332493113.db2.gz YFRNOZFZHYDLNO-UHFFFAOYSA-N 1 2 265.784 3.891 20 30 CHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000513188582 333007480 /nfs/dbraw/zinc/00/74/80/333007480.db2.gz QADPIFHJGSVKGE-CQSZACIVSA-N 1 2 278.346 3.717 20 30 CHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000513188582 333007481 /nfs/dbraw/zinc/00/74/81/333007481.db2.gz QADPIFHJGSVKGE-CQSZACIVSA-N 1 2 278.346 3.717 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Cl)c(OC)c(OCC)c2)CC1 ZINC000513460695 333021052 /nfs/dbraw/zinc/02/10/52/333021052.db2.gz HLTVRFNVVSMAPH-UHFFFAOYSA-N 1 2 295.810 3.899 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000513472785 333021584 /nfs/dbraw/zinc/02/15/84/333021584.db2.gz MAXZXMQDEMUEOO-UHFFFAOYSA-N 1 2 295.810 3.899 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000513485533 333022162 /nfs/dbraw/zinc/02/21/62/333022162.db2.gz RDZHIFAMCWVFML-UHFFFAOYSA-N 1 2 284.172 3.740 20 30 CHEDLO COc1cc(C)[nH+]c(COc2cc(Cl)cc(C#N)c2)c1 ZINC000312230937 333078626 /nfs/dbraw/zinc/07/86/26/333078626.db2.gz CTMNXMZIPFFOHX-UHFFFAOYSA-N 1 2 288.734 3.503 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000517244078 333095757 /nfs/dbraw/zinc/09/57/57/333095757.db2.gz BOKQHXWSBZRPFY-NSHDSACASA-N 1 2 289.766 3.777 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC#Cc1ccccc1 ZINC000191986098 333227981 /nfs/dbraw/zinc/22/79/81/333227981.db2.gz GLEHDEXEFVBOPM-PXNSSMCTSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000191986098 333227983 /nfs/dbraw/zinc/22/79/83/333227983.db2.gz GLEHDEXEFVBOPM-PXNSSMCTSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(F)cccc1F ZINC000539233803 333662236 /nfs/dbraw/zinc/66/22/36/333662236.db2.gz SBHNKPZLQAGIAA-LBPRGKRZSA-N 1 2 289.300 3.806 20 30 CHEDLO CCc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C#N)o2)cc1 ZINC000544596589 333939060 /nfs/dbraw/zinc/93/90/60/333939060.db2.gz SZDLJZXBVSJVIZ-ZDUSSCGKSA-N 1 2 268.360 3.758 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cccc3ccccc32)c1 ZINC000545927814 334007014 /nfs/dbraw/zinc/00/70/14/334007014.db2.gz DIIANXOVOGWNRL-UHFFFAOYSA-N 1 2 273.339 3.913 20 30 CHEDLO Cc1cc(C)c(CNc2cc(CC#N)cc[nH+]2)c(C)c1 ZINC000545927920 334007215 /nfs/dbraw/zinc/00/72/15/334007215.db2.gz LRSIGJQAEQOWKG-UHFFFAOYSA-N 1 2 265.360 3.685 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000546633473 334042326 /nfs/dbraw/zinc/04/23/26/334042326.db2.gz MUNQWKCBILYHBU-LBPRGKRZSA-N 1 2 269.348 3.618 20 30 CHEDLO CC(C)Oc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000547341349 334081337 /nfs/dbraw/zinc/08/13/37/334081337.db2.gz LIFIBGHFOXLWFM-UHFFFAOYSA-N 1 2 281.359 3.547 20 30 CHEDLO C=C[C@@H](CC(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000134395372 334089828 /nfs/dbraw/zinc/08/98/28/334089828.db2.gz VIAFIOOIUVKJCC-AWEZNQCLSA-N 1 2 266.344 3.688 20 30 CHEDLO CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(F)F ZINC000135163577 334118431 /nfs/dbraw/zinc/11/84/31/334118431.db2.gz FUWIIYNWJHPFEB-UHFFFAOYSA-N 1 2 280.362 3.965 20 30 CHEDLO CCC[N@H+](Cc1ccccc1C(C)(C)C#N)CC(F)F ZINC000135163577 334118432 /nfs/dbraw/zinc/11/84/32/334118432.db2.gz FUWIIYNWJHPFEB-UHFFFAOYSA-N 1 2 280.362 3.965 20 30 CHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000548926142 334180486 /nfs/dbraw/zinc/18/04/86/334180486.db2.gz NCGXNAAKGAGMNF-OAHLLOKOSA-N 1 2 297.402 3.541 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[N@H+](CC)C[C@H](C)C#N ZINC000245764928 334218247 /nfs/dbraw/zinc/21/82/47/334218247.db2.gz JGYMUVOGXBVWRZ-ABAIWWIYSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[N@@H+](CC)C[C@H](C)C#N ZINC000245764928 334218249 /nfs/dbraw/zinc/21/82/49/334218249.db2.gz JGYMUVOGXBVWRZ-ABAIWWIYSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[N@H+](CC)C[C@H](C)C#N ZINC000245764932 334218344 /nfs/dbraw/zinc/21/83/44/334218344.db2.gz JGYMUVOGXBVWRZ-IAQYHMDHSA-N 1 2 266.335 3.897 20 30 CHEDLO CC[C@H](c1ccc(F)cc1F)[N@@H+](CC)C[C@H](C)C#N ZINC000245764932 334218345 /nfs/dbraw/zinc/21/83/45/334218345.db2.gz JGYMUVOGXBVWRZ-IAQYHMDHSA-N 1 2 266.335 3.897 20 30 CHEDLO C[N@H+](Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)C#N ZINC000552085676 334287414 /nfs/dbraw/zinc/28/74/14/334287414.db2.gz IKRLNUGYEUJNDM-UHFFFAOYSA-N 1 2 288.288 3.826 20 30 CHEDLO C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)C#N ZINC000552085676 334287415 /nfs/dbraw/zinc/28/74/15/334287415.db2.gz IKRLNUGYEUJNDM-UHFFFAOYSA-N 1 2 288.288 3.826 20 30 CHEDLO C=C(C)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000553063196 334359507 /nfs/dbraw/zinc/35/95/07/334359507.db2.gz FQSBTFYUYWWVBH-UHFFFAOYSA-N 1 2 284.172 3.522 20 30 CHEDLO C=C(C)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000553063196 334359509 /nfs/dbraw/zinc/35/95/09/334359509.db2.gz FQSBTFYUYWWVBH-UHFFFAOYSA-N 1 2 284.172 3.522 20 30 CHEDLO CC(C)(C)Oc1cc[nH+]cc1NCc1ccc(C#N)cc1 ZINC000158431082 334800749 /nfs/dbraw/zinc/80/07/49/334800749.db2.gz ZWBPGZCYAXMHGM-UHFFFAOYSA-N 1 2 281.359 3.743 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000577570420 335370444 /nfs/dbraw/zinc/37/04/44/335370444.db2.gz BKQITVTYHRMVRP-UHFFFAOYSA-N 1 2 273.138 3.526 20 30 CHEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000179093605 335473118 /nfs/dbraw/zinc/47/31/18/335473118.db2.gz FEDPPUMILOBNNN-LBPRGKRZSA-N 1 2 284.334 3.557 20 30 CHEDLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cccc(C#N)c1F ZINC000340875558 525722206 /nfs/dbraw/zinc/72/22/06/525722206.db2.gz AAGHDUXZLWWYHT-GFCCVEGCSA-N 1 2 266.319 3.774 20 30 CHEDLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cccc(C#N)c1F ZINC000340875558 525722214 /nfs/dbraw/zinc/72/22/14/525722214.db2.gz AAGHDUXZLWWYHT-GFCCVEGCSA-N 1 2 266.319 3.774 20 30 CHEDLO C=C[C@H]1CCCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334707322 527600747 /nfs/dbraw/zinc/60/07/47/527600747.db2.gz ZUMXGHZYHNSYTE-AWEZNQCLSA-N 1 2 273.380 3.579 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000353416604 527715829 /nfs/dbraw/zinc/71/58/29/527715829.db2.gz OQHAMXFRBIAGOS-UHFFFAOYSA-N 1 2 284.325 3.866 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000353416604 527715831 /nfs/dbraw/zinc/71/58/31/527715831.db2.gz OQHAMXFRBIAGOS-UHFFFAOYSA-N 1 2 284.325 3.866 20 30 CHEDLO CC[C@@H]1CC[C@@H](C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)O1 ZINC000330208066 529335904 /nfs/dbraw/zinc/33/59/04/529335904.db2.gz ASWKXXDSVCVTEO-DOMZBBRYSA-N 1 2 299.374 3.931 20 30 CHEDLO C[N@H+](CCC#N)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000155246338 1118684413 /nfs/dbraw/zinc/68/44/13/1118684413.db2.gz MXESDTJKZTZESB-ZDUSSCGKSA-N 1 2 269.175 3.826 20 30 CHEDLO C[N@@H+](CCC#N)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000155246338 1118684415 /nfs/dbraw/zinc/68/44/15/1118684415.db2.gz MXESDTJKZTZESB-ZDUSSCGKSA-N 1 2 269.175 3.826 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(F)c(Br)cc1C ZINC001140794827 1131922300 /nfs/dbraw/zinc/92/23/00/1131922300.db2.gz BODTUYHGLRBJKK-UHFFFAOYSA-N 1 2 299.187 3.632 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(F)c(Br)cc1C ZINC001140794827 1131922305 /nfs/dbraw/zinc/92/23/05/1131922305.db2.gz BODTUYHGLRBJKK-UHFFFAOYSA-N 1 2 299.187 3.632 20 30 CHEDLO C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894399 1132264874 /nfs/dbraw/zinc/26/48/74/1132264874.db2.gz IMQJZGDWVMBOJQ-LLVKDONJSA-N 1 2 293.208 3.553 20 30 CHEDLO C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141894399 1132264877 /nfs/dbraw/zinc/26/48/77/1132264877.db2.gz IMQJZGDWVMBOJQ-LLVKDONJSA-N 1 2 293.208 3.553 20 30 CHEDLO CCCC[N@H+](CC#N)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172568937 1132272297 /nfs/dbraw/zinc/27/22/97/1132272297.db2.gz QLONAJISFTWTQR-SJORKVTESA-N 1 2 256.393 3.948 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172568937 1132272302 /nfs/dbraw/zinc/27/23/02/1132272302.db2.gz QLONAJISFTWTQR-SJORKVTESA-N 1 2 256.393 3.948 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172839428 1132331115 /nfs/dbraw/zinc/33/11/15/1132331115.db2.gz UGURNGYARCWHOE-MRXNPFEDSA-N 1 2 256.393 3.524 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(C)(C)C)cc1 ZINC001231807327 1132367376 /nfs/dbraw/zinc/36/73/76/1132367376.db2.gz ZRPRAIKDOXFYMP-UHFFFAOYSA-N 1 2 260.381 3.599 20 30 CHEDLO Cc1c[nH+]cc(Nc2cccc(Cl)c2C#N)c1C ZINC001213532564 1134461070 /nfs/dbraw/zinc/46/10/70/1134461070.db2.gz OJUOKLSXPVSJFN-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO C=CCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000348315926 1125537769 /nfs/dbraw/zinc/53/77/69/1125537769.db2.gz MFHFQTACJBIMDL-OAHLLOKOSA-N 1 2 282.391 3.575 20 30 CHEDLO C=CCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000348315926 1125537772 /nfs/dbraw/zinc/53/77/72/1125537772.db2.gz MFHFQTACJBIMDL-OAHLLOKOSA-N 1 2 282.391 3.575 20 30 CHEDLO Cc1ccc2c(C[N@H+](CC#N)C3CCCC3)ccc(O)c2n1 ZINC000338303228 1126732852 /nfs/dbraw/zinc/73/28/52/1126732852.db2.gz DFSSJPBBEZUKOU-UHFFFAOYSA-N 1 2 295.386 3.517 20 30 CHEDLO Cc1ccc2c(C[N@@H+](CC#N)C3CCCC3)ccc(O)c2n1 ZINC000338303228 1126732855 /nfs/dbraw/zinc/73/28/55/1126732855.db2.gz DFSSJPBBEZUKOU-UHFFFAOYSA-N 1 2 295.386 3.517 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CCCC(F)(F)C1 ZINC000338311516 1126733273 /nfs/dbraw/zinc/73/32/73/1126733273.db2.gz DSHKUGNVEKFFAW-AWEZNQCLSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CCCC(F)(F)C1 ZINC000338311516 1126733277 /nfs/dbraw/zinc/73/32/77/1126733277.db2.gz DSHKUGNVEKFFAW-AWEZNQCLSA-N 1 2 293.361 3.623 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccncc1F ZINC000338339884 1126736215 /nfs/dbraw/zinc/73/62/15/1126736215.db2.gz AWMSFWVNWKLGQL-JTQLQIEISA-N 1 2 289.741 3.597 20 30 CHEDLO N#CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000346747105 1126758688 /nfs/dbraw/zinc/75/86/88/1126758688.db2.gz LOPNBTOZRSOTKR-UHFFFAOYSA-N 1 2 260.724 3.603 20 30 CHEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F ZINC000679228572 1126790236 /nfs/dbraw/zinc/79/02/36/1126790236.db2.gz XUNWBVPWJSAJIW-WFASDCNBSA-N 1 2 299.311 3.737 20 30 CHEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F ZINC000679228572 1126790239 /nfs/dbraw/zinc/79/02/39/1126790239.db2.gz XUNWBVPWJSAJIW-WFASDCNBSA-N 1 2 299.311 3.737 20 30 CHEDLO CC(C)(C#N)CCCSc1[nH+]cc2ccccn21 ZINC000177203010 1126798594 /nfs/dbraw/zinc/79/85/94/1126798594.db2.gz DZBIRLWIBXKELH-UHFFFAOYSA-N 1 2 259.378 3.756 20 30 CHEDLO C(=NOC1CCCCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000777457603 1126941618 /nfs/dbraw/zinc/94/16/18/1126941618.db2.gz YCDOXKMHDIVQEK-UHFFFAOYSA-N 1 2 275.377 3.617 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc2cccnc21 ZINC000266917118 1126990088 /nfs/dbraw/zinc/99/00/88/1126990088.db2.gz KXOCHKIFSVCQMQ-UHFFFAOYSA-N 1 2 273.767 3.624 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc2cccnc21 ZINC000266917118 1126990091 /nfs/dbraw/zinc/99/00/91/1126990091.db2.gz KXOCHKIFSVCQMQ-UHFFFAOYSA-N 1 2 273.767 3.624 20 30 CHEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCCc2ccccc21 ZINC000912962678 1127117665 /nfs/dbraw/zinc/11/76/65/1127117665.db2.gz YNQCABXORQYOIF-CCNLRRDASA-N 1 2 265.356 3.931 20 30 CHEDLO CC[N@@H+](CCC#N)CCOc1cc(Cl)cc(Cl)c1 ZINC000348543659 1127122079 /nfs/dbraw/zinc/12/20/79/1127122079.db2.gz LKGPUOYCMAAUBJ-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO CC[N@H+](CCC#N)CCOc1cc(Cl)cc(Cl)c1 ZINC000348543659 1127122083 /nfs/dbraw/zinc/12/20/83/1127122083.db2.gz LKGPUOYCMAAUBJ-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000349758633 1127159549 /nfs/dbraw/zinc/15/95/49/1127159549.db2.gz NJHUPLKZZNTXHW-HOTGVXAUSA-N 1 2 282.391 3.506 20 30 CHEDLO Cc1cc(C[NH2+]C2(C(F)F)CCCC2)ccc1C#N ZINC000588934361 1127207320 /nfs/dbraw/zinc/20/73/20/1127207320.db2.gz SERDSPJBRFODBO-UHFFFAOYSA-N 1 2 264.319 3.534 20 30 CHEDLO C=C(C)CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000351760773 1127208502 /nfs/dbraw/zinc/20/85/02/1127208502.db2.gz NBCBAMNKQRCZPO-OAHLLOKOSA-N 1 2 282.391 3.575 20 30 CHEDLO C=C(C)CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000351760773 1127208505 /nfs/dbraw/zinc/20/85/05/1127208505.db2.gz NBCBAMNKQRCZPO-OAHLLOKOSA-N 1 2 282.391 3.575 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1cccc(C#N)c1 ZINC000057667932 1127272108 /nfs/dbraw/zinc/27/21/08/1127272108.db2.gz GAFLUFGWNCOBNI-UHFFFAOYSA-N 1 2 265.360 3.545 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1cn2ccccc2c1C#N ZINC000590805799 1127274038 /nfs/dbraw/zinc/27/40/38/1127274038.db2.gz LIAOHOLTBOBMJX-UHFFFAOYSA-N 1 2 281.384 3.504 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1cn2ccccc2c1C#N ZINC000590805799 1127274041 /nfs/dbraw/zinc/27/40/41/1127274041.db2.gz LIAOHOLTBOBMJX-UHFFFAOYSA-N 1 2 281.384 3.504 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000354025459 1127286572 /nfs/dbraw/zinc/28/65/72/1127286572.db2.gz DSJOINXPXQAENT-SNVBAGLBSA-N 1 2 298.308 3.551 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000354025459 1127286575 /nfs/dbraw/zinc/28/65/75/1127286575.db2.gz DSJOINXPXQAENT-SNVBAGLBSA-N 1 2 298.308 3.551 20 30 CHEDLO CC[N@H+](Cc1ccncc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000592062789 1127332959 /nfs/dbraw/zinc/33/29/59/1127332959.db2.gz FJCJRXTVHLGWKS-AWEZNQCLSA-N 1 2 295.386 3.545 20 30 CHEDLO CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000592062789 1127332962 /nfs/dbraw/zinc/33/29/62/1127332962.db2.gz FJCJRXTVHLGWKS-AWEZNQCLSA-N 1 2 295.386 3.545 20 30 CHEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccncc1C#N ZINC000592121872 1127336230 /nfs/dbraw/zinc/33/62/30/1127336230.db2.gz JMUCVKLXDLRMOR-QGZVFWFLSA-N 1 2 295.386 3.545 20 30 CHEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccncc1C#N ZINC000592121872 1127336232 /nfs/dbraw/zinc/33/62/32/1127336232.db2.gz JMUCVKLXDLRMOR-QGZVFWFLSA-N 1 2 295.386 3.545 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)c1ccccn1 ZINC000355688324 1127358826 /nfs/dbraw/zinc/35/88/26/1127358826.db2.gz YREZEJITWYBDMR-AWEZNQCLSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)c1ccccn1 ZINC000355688324 1127358829 /nfs/dbraw/zinc/35/88/29/1127358829.db2.gz YREZEJITWYBDMR-AWEZNQCLSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CCn1c(C2CC2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000129765564 1127361722 /nfs/dbraw/zinc/36/17/22/1127361722.db2.gz IHGGRGMNRIIXSH-UHFFFAOYSA-N 1 2 294.468 3.557 20 30 CHEDLO C=CCn1c(C2CC2)nn(C[N@H+](CC)CCCC)c1=S ZINC000129765564 1127361726 /nfs/dbraw/zinc/36/17/26/1127361726.db2.gz IHGGRGMNRIIXSH-UHFFFAOYSA-N 1 2 294.468 3.557 20 30 CHEDLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1ccc(C#N)cc1 ZINC000289341034 1127381994 /nfs/dbraw/zinc/38/19/94/1127381994.db2.gz JIMJBMCUBSISLR-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO CC(C)(C#N)C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000593615214 1127391151 /nfs/dbraw/zinc/39/11/51/1127391151.db2.gz NVKVWDYEWVJPIU-LLVKDONJSA-N 1 2 266.747 3.606 20 30 CHEDLO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000594506456 1127418841 /nfs/dbraw/zinc/41/88/41/1127418841.db2.gz SDLWPFKBYZGRKU-CQSZACIVSA-N 1 2 278.346 3.765 20 30 CHEDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(C#N)cc1 ZINC000158094320 1127437562 /nfs/dbraw/zinc/43/75/62/1127437562.db2.gz GBFPUQDEIVVWCY-LLVKDONJSA-N 1 2 286.762 3.768 20 30 CHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccco2)CC1 ZINC000595618420 1127469063 /nfs/dbraw/zinc/46/90/63/1127469063.db2.gz PCVIVMGTEFVDQX-UHFFFAOYSA-N 1 2 284.334 3.670 20 30 CHEDLO CC(C)(C#N)CCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595759857 1127474041 /nfs/dbraw/zinc/47/40/41/1127474041.db2.gz PAQGFLKABVOPJI-INIZCTEOSA-N 1 2 290.382 3.529 20 30 CHEDLO CC(C)(C#N)CCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595759857 1127474044 /nfs/dbraw/zinc/47/40/44/1127474044.db2.gz PAQGFLKABVOPJI-INIZCTEOSA-N 1 2 290.382 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000595612611 1127470672 /nfs/dbraw/zinc/47/06/72/1127470672.db2.gz YKPQMDZKANBGIN-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000595612611 1127470673 /nfs/dbraw/zinc/47/06/73/1127470673.db2.gz YKPQMDZKANBGIN-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000595614674 1127471410 /nfs/dbraw/zinc/47/14/10/1127471410.db2.gz MIGSUYAUOYQHAF-ZDUSSCGKSA-N 1 2 289.448 3.926 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000595614674 1127471412 /nfs/dbraw/zinc/47/14/12/1127471412.db2.gz MIGSUYAUOYQHAF-ZDUSSCGKSA-N 1 2 289.448 3.926 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000595838399 1127477046 /nfs/dbraw/zinc/47/70/46/1127477046.db2.gz BJNFQLKEQKLMQM-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000595838399 1127477047 /nfs/dbraw/zinc/47/70/47/1127477047.db2.gz BJNFQLKEQKLMQM-MRXNPFEDSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000595838871 1127477347 /nfs/dbraw/zinc/47/73/47/1127477347.db2.gz XYBVYNBGCHHRMH-AWEZNQCLSA-N 1 2 299.201 3.608 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000595838871 1127477349 /nfs/dbraw/zinc/47/73/49/1127477349.db2.gz XYBVYNBGCHHRMH-AWEZNQCLSA-N 1 2 299.201 3.608 20 30 CHEDLO CC(C)c1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000596021188 1127481462 /nfs/dbraw/zinc/48/14/62/1127481462.db2.gz ANFJJWHDOLOAFG-UHFFFAOYSA-N 1 2 265.360 3.883 20 30 CHEDLO CCc1cccc2cc(C[N@H+](C)[C@H](C)CC#N)oc21 ZINC000596994482 1127524548 /nfs/dbraw/zinc/52/45/48/1127524548.db2.gz ATKRLEOJZDHNHX-GFCCVEGCSA-N 1 2 256.349 3.729 20 30 CHEDLO CCc1cccc2cc(C[N@@H+](C)[C@H](C)CC#N)oc21 ZINC000596994482 1127524549 /nfs/dbraw/zinc/52/45/49/1127524549.db2.gz ATKRLEOJZDHNHX-GFCCVEGCSA-N 1 2 256.349 3.729 20 30 CHEDLO CCc1cccc2cc(C[N@H+](C)C[C@@H](C)C#N)oc21 ZINC000596990909 1127524471 /nfs/dbraw/zinc/52/44/71/1127524471.db2.gz GRYGMZFDRFNEAK-LBPRGKRZSA-N 1 2 256.349 3.587 20 30 CHEDLO CCc1cccc2cc(C[N@@H+](C)C[C@@H](C)C#N)oc21 ZINC000596990909 1127524474 /nfs/dbraw/zinc/52/44/74/1127524474.db2.gz GRYGMZFDRFNEAK-LBPRGKRZSA-N 1 2 256.349 3.587 20 30 CHEDLO CC(C)c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccn21 ZINC000597177496 1127532809 /nfs/dbraw/zinc/53/28/09/1127532809.db2.gz NGTANOUTHWEHFU-OAHLLOKOSA-N 1 2 296.418 3.583 20 30 CHEDLO CC(C)c1nc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccn21 ZINC000597177496 1127532812 /nfs/dbraw/zinc/53/28/12/1127532812.db2.gz NGTANOUTHWEHFU-OAHLLOKOSA-N 1 2 296.418 3.583 20 30 CHEDLO CCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccn1 ZINC000602003351 1127556775 /nfs/dbraw/zinc/55/67/75/1127556775.db2.gz UMPUBBNGDLKXFA-INIZCTEOSA-N 1 2 283.350 3.723 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602448150 1127580789 /nfs/dbraw/zinc/58/07/89/1127580789.db2.gz MKSDCBAQUVHAJO-UHFFFAOYSA-N 1 2 289.329 3.637 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602448150 1127580792 /nfs/dbraw/zinc/58/07/92/1127580792.db2.gz MKSDCBAQUVHAJO-UHFFFAOYSA-N 1 2 289.329 3.637 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1N)CC1CC1 ZINC000602465985 1127582872 /nfs/dbraw/zinc/58/28/72/1127582872.db2.gz SDGHRRPAXPBMNO-UHFFFAOYSA-N 1 2 298.217 3.701 20 30 CHEDLO N#CCC[N@H+](Cc1cc(Cl)cc(Cl)c1N)CC1CC1 ZINC000602465985 1127582873 /nfs/dbraw/zinc/58/28/73/1127582873.db2.gz SDGHRRPAXPBMNO-UHFFFAOYSA-N 1 2 298.217 3.701 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](CCC#N)CC1CC1 ZINC000602775819 1127612663 /nfs/dbraw/zinc/61/26/63/1127612663.db2.gz BJLRQFYEZIGKGE-UHFFFAOYSA-N 1 2 295.386 3.776 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](CCC#N)CC1CC1 ZINC000602775819 1127612666 /nfs/dbraw/zinc/61/26/66/1127612666.db2.gz BJLRQFYEZIGKGE-UHFFFAOYSA-N 1 2 295.386 3.776 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980074 1127623044 /nfs/dbraw/zinc/62/30/44/1127623044.db2.gz LLCVVUQMRXVQAE-FZMZJTMJSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980074 1127623046 /nfs/dbraw/zinc/62/30/46/1127623046.db2.gz LLCVVUQMRXVQAE-FZMZJTMJSA-N 1 2 266.747 3.603 20 30 CHEDLO C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602981973 1127624034 /nfs/dbraw/zinc/62/40/34/1127624034.db2.gz LXKSOTCPJRRZPH-SMDDNHRTSA-N 1 2 298.308 3.535 20 30 CHEDLO C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602981973 1127624037 /nfs/dbraw/zinc/62/40/37/1127624037.db2.gz LXKSOTCPJRRZPH-SMDDNHRTSA-N 1 2 298.308 3.535 20 30 CHEDLO C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602981971 1127624046 /nfs/dbraw/zinc/62/40/46/1127624046.db2.gz LXKSOTCPJRRZPH-FZMZJTMJSA-N 1 2 298.308 3.535 20 30 CHEDLO C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602981971 1127624047 /nfs/dbraw/zinc/62/40/47/1127624047.db2.gz LXKSOTCPJRRZPH-FZMZJTMJSA-N 1 2 298.308 3.535 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598591663 1127626478 /nfs/dbraw/zinc/62/64/78/1127626478.db2.gz CBJFHCQRJCOMLD-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598591663 1127626480 /nfs/dbraw/zinc/62/64/80/1127626480.db2.gz CBJFHCQRJCOMLD-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO N#CCC1(CNc2[nH+]cccc2OCc2ccccc2)CC1 ZINC000362361703 1127630040 /nfs/dbraw/zinc/63/00/40/1127630040.db2.gz ZJXBENMFDJFBTL-UHFFFAOYSA-N 1 2 293.370 3.766 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1C#N ZINC000599310560 1127666643 /nfs/dbraw/zinc/66/66/43/1127666643.db2.gz VJZNSEBWJCJENY-MRXNPFEDSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1C#N ZINC000599310560 1127666645 /nfs/dbraw/zinc/66/66/45/1127666645.db2.gz VJZNSEBWJCJENY-MRXNPFEDSA-N 1 2 298.411 3.502 20 30 CHEDLO CC(C)c1ccc(OC2CC[NH+](CCC#N)CC2)cc1 ZINC000603840849 1127678251 /nfs/dbraw/zinc/67/82/51/1127678251.db2.gz CEAWUFNXVJJPEA-UHFFFAOYSA-N 1 2 272.392 3.567 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(SC)cc1C ZINC001232347141 1127695632 /nfs/dbraw/zinc/69/56/32/1127695632.db2.gz SKYMYWRHIAWCBB-UHFFFAOYSA-N 1 2 277.437 3.628 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(SC)cc1C ZINC001232347141 1127695635 /nfs/dbraw/zinc/69/56/35/1127695635.db2.gz SKYMYWRHIAWCBB-UHFFFAOYSA-N 1 2 277.437 3.628 20 30 CHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+]([C@@H](C)CCC#N)C2)c1 ZINC000411695885 1127869217 /nfs/dbraw/zinc/86/92/17/1127869217.db2.gz UALBYERNGPSAJV-XJKSGUPXSA-N 1 2 278.346 3.697 20 30 CHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+]([C@@H](C)CCC#N)C2)c1 ZINC000411695885 1127869221 /nfs/dbraw/zinc/86/92/21/1127869221.db2.gz UALBYERNGPSAJV-XJKSGUPXSA-N 1 2 278.346 3.697 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)c1ccncc1 ZINC000608493544 1127870300 /nfs/dbraw/zinc/87/03/00/1127870300.db2.gz RYPKHCPOFONCEE-AWEZNQCLSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)c1ccncc1 ZINC000608493544 1127870302 /nfs/dbraw/zinc/87/03/02/1127870302.db2.gz RYPKHCPOFONCEE-AWEZNQCLSA-N 1 2 270.351 3.970 20 30 CHEDLO CC[N@H+](Cc1nc(C)c(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000064142011 1127934942 /nfs/dbraw/zinc/93/49/42/1127934942.db2.gz HVXFQPDXNQEBJI-ZDUSSCGKSA-N 1 2 283.375 3.746 20 30 CHEDLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000064142011 1127934947 /nfs/dbraw/zinc/93/49/47/1127934947.db2.gz HVXFQPDXNQEBJI-ZDUSSCGKSA-N 1 2 283.375 3.746 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@H]1c1ccccc1 ZINC000469330897 1128040509 /nfs/dbraw/zinc/04/05/09/1128040509.db2.gz TYJAWTLPQZYQKT-SCLBCKFNSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1c1ccccc1 ZINC000469330897 1128040515 /nfs/dbraw/zinc/04/05/15/1128040515.db2.gz TYJAWTLPQZYQKT-SCLBCKFNSA-N 1 2 280.346 3.890 20 30 CHEDLO C=C(C)CN(Cc1ccccc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000470910229 1128080731 /nfs/dbraw/zinc/08/07/31/1128080731.db2.gz XUVVNGXMHMFEKW-UHFFFAOYSA-N 1 2 296.414 3.977 20 30 CHEDLO C=C1CC(C)(c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)C1 ZINC000924125245 1128090535 /nfs/dbraw/zinc/09/05/35/1128090535.db2.gz ZWEKIIIRCABIMA-CYBMUJFWSA-N 1 2 286.379 3.509 20 30 CHEDLO CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc(C#N)c1O ZINC000926602360 1128183490 /nfs/dbraw/zinc/18/34/90/1128183490.db2.gz UTFFBOWXFLBGKI-KRWDZBQOSA-N 1 2 295.386 3.517 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000929633667 1128279825 /nfs/dbraw/zinc/27/98/25/1128279825.db2.gz ZKDTWVWMDLKADV-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000929633667 1128279827 /nfs/dbraw/zinc/27/98/27/1128279827.db2.gz ZKDTWVWMDLKADV-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO CC(C)Oc1ccc(CC/[NH+]=C\c2ccccc2O)cc1 ZINC000915113573 1128284500 /nfs/dbraw/zinc/28/45/00/1128284500.db2.gz ZAFOBCBLIJBDQT-UYRXBGFRSA-N 1 2 283.371 3.841 20 30 CHEDLO Fc1cccc(N2CCCC2)c1C=[NH+]Nc1ccccc1 ZINC000916247388 1128413573 /nfs/dbraw/zinc/41/35/73/1128413573.db2.gz UUYFGOODQWSKGI-UHFFFAOYSA-N 1 2 283.350 3.872 20 30 CHEDLO CC(C)C[N@H+](Cc1ccccn1)Cc1cccc(F)c1C#N ZINC000932448855 1128411200 /nfs/dbraw/zinc/41/12/00/1128411200.db2.gz XUBVWUMOTDRPEW-UHFFFAOYSA-N 1 2 297.377 3.751 20 30 CHEDLO CC(C)C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1C#N ZINC000932448855 1128411201 /nfs/dbraw/zinc/41/12/01/1128411201.db2.gz XUBVWUMOTDRPEW-UHFFFAOYSA-N 1 2 297.377 3.751 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000916622730 1128430283 /nfs/dbraw/zinc/43/02/83/1128430283.db2.gz JBYPFSLZKHWGDE-UHFFFAOYSA-N 1 2 286.419 3.597 20 30 CHEDLO C=CCC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000563217590 1128455097 /nfs/dbraw/zinc/45/50/97/1128455097.db2.gz NTODRFIFULRNRD-NVXWUHKLSA-N 1 2 297.402 3.658 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1F ZINC000563861894 1128482264 /nfs/dbraw/zinc/48/22/64/1128482264.db2.gz XSZOKMAPKMDZSV-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1F ZINC000563861894 1128482266 /nfs/dbraw/zinc/48/22/66/1128482266.db2.gz XSZOKMAPKMDZSV-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO CC#CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000543245966 1128591545 /nfs/dbraw/zinc/59/15/45/1128591545.db2.gz YDAXCJAXEDXESS-JTQLQIEISA-N 1 2 284.222 3.671 20 30 CHEDLO CC#CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000543245966 1128591547 /nfs/dbraw/zinc/59/15/47/1128591547.db2.gz YDAXCJAXEDXESS-JTQLQIEISA-N 1 2 284.222 3.671 20 30 CHEDLO C=C(Br)C[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000919647717 1128618706 /nfs/dbraw/zinc/61/87/06/1128618706.db2.gz JYPWPJCWFMHHHV-UHFFFAOYSA-N 1 2 292.220 3.993 20 30 CHEDLO C=C(Br)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000919647717 1128618707 /nfs/dbraw/zinc/61/87/07/1128618707.db2.gz JYPWPJCWFMHHHV-UHFFFAOYSA-N 1 2 292.220 3.993 20 30 CHEDLO C=C(Br)C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000920206075 1128670768 /nfs/dbraw/zinc/67/07/68/1128670768.db2.gz BIFOLBJTIPHZIE-UHFFFAOYSA-N 1 2 286.188 3.945 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000920206075 1128670770 /nfs/dbraw/zinc/67/07/70/1128670770.db2.gz BIFOLBJTIPHZIE-UHFFFAOYSA-N 1 2 286.188 3.945 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000610003882 1128734539 /nfs/dbraw/zinc/73/45/39/1128734539.db2.gz MIXRDTJKVFBAOJ-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000610003882 1128734542 /nfs/dbraw/zinc/73/45/42/1128734542.db2.gz MIXRDTJKVFBAOJ-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000901418880 1128738094 /nfs/dbraw/zinc/73/80/94/1128738094.db2.gz QWJSJZFGPIQBEL-MDZDMXLPSA-N 1 2 268.360 3.614 20 30 CHEDLO C=CC(C)(C)CC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000624037028 1117973867 /nfs/dbraw/zinc/97/38/67/1117973867.db2.gz JIKOAEAAPGYXFC-AWEZNQCLSA-N 1 2 276.428 3.618 20 30 CHEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182612818 1118025580 /nfs/dbraw/zinc/02/55/80/1118025580.db2.gz YCBGNIFRKWXVKQ-AWEZNQCLSA-N 1 2 285.309 3.655 20 30 CHEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182612818 1118025583 /nfs/dbraw/zinc/02/55/83/1118025583.db2.gz YCBGNIFRKWXVKQ-AWEZNQCLSA-N 1 2 285.309 3.655 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(CC(C)C)c1 ZINC000183262169 1118041222 /nfs/dbraw/zinc/04/12/22/1118041222.db2.gz CCWFEGYFXURHKQ-UHFFFAOYSA-N 1 2 290.455 3.691 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(CC(C)C)c1 ZINC000183262169 1118041227 /nfs/dbraw/zinc/04/12/27/1118041227.db2.gz CCWFEGYFXURHKQ-UHFFFAOYSA-N 1 2 290.455 3.691 20 30 CHEDLO CSc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)c(Cl)c1 ZINC000765606739 1118181621 /nfs/dbraw/zinc/18/16/21/1118181621.db2.gz XQMHPMLLJAVZGZ-SNAWJCMRSA-N 1 2 278.764 3.681 20 30 CHEDLO Cc1[nH+]cc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc1N ZINC001210290267 1118235946 /nfs/dbraw/zinc/23/59/46/1118235946.db2.gz HGGXIYVXLFMLNT-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1nc(C#N)cs1)C(C)(C)C2 ZINC000354444012 1118275322 /nfs/dbraw/zinc/27/53/22/1118275322.db2.gz XXDYMNDAOAGZJI-UHFFFAOYSA-N 1 2 297.427 3.660 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1nc(C#N)cs1)C(C)(C)C2 ZINC000354444012 1118275325 /nfs/dbraw/zinc/27/53/25/1118275325.db2.gz XXDYMNDAOAGZJI-UHFFFAOYSA-N 1 2 297.427 3.660 20 30 CHEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000683801147 1118377648 /nfs/dbraw/zinc/37/76/48/1118377648.db2.gz BTAXQFQYIDSNKX-IUCAKERBSA-N 1 2 276.327 3.614 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(C#N)c(C)c2)c1 ZINC001210809709 1118401365 /nfs/dbraw/zinc/40/13/65/1118401365.db2.gz CEYAKDVMIHTDTH-UHFFFAOYSA-N 1 2 251.333 3.958 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(C#N)c(Cl)c2)c1C ZINC001213529261 1118543707 /nfs/dbraw/zinc/54/37/07/1118543707.db2.gz ZMWWKEDQBHGGGH-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000068615189 1128787252 /nfs/dbraw/zinc/78/72/52/1128787252.db2.gz REJMIDJPHQPFLZ-AWEZNQCLSA-N 1 2 266.344 3.871 20 30 CHEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1csc(C#N)c1 ZINC000891591039 1118714601 /nfs/dbraw/zinc/71/46/01/1118714601.db2.gz FLFCDUQAHCGQEY-NSHDSACASA-N 1 2 274.364 3.952 20 30 CHEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1csc(C#N)c1 ZINC000891591039 1118714603 /nfs/dbraw/zinc/71/46/03/1118714603.db2.gz FLFCDUQAHCGQEY-NSHDSACASA-N 1 2 274.364 3.952 20 30 CHEDLO Cc1cccn2c(/C=C3\Cc4ccc(F)cc4C3=O)c[nH+]c12 ZINC000255390474 1118748624 /nfs/dbraw/zinc/74/86/24/1118748624.db2.gz IVZUMMNIDQGWCZ-MDWZMJQESA-N 1 2 292.313 3.604 20 30 CHEDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000091983376 1118837863 /nfs/dbraw/zinc/83/78/63/1118837863.db2.gz PSDOCWSATOZLQQ-CYBMUJFWSA-N 1 2 289.379 3.700 20 30 CHEDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000091983376 1118837870 /nfs/dbraw/zinc/83/78/70/1118837870.db2.gz PSDOCWSATOZLQQ-CYBMUJFWSA-N 1 2 289.379 3.700 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000091984298 1118838012 /nfs/dbraw/zinc/83/80/12/1118838012.db2.gz OHVXPBPQOFEQHN-JTQLQIEISA-N 1 2 288.288 3.826 20 30 CHEDLO CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000091984298 1118838018 /nfs/dbraw/zinc/83/80/18/1118838018.db2.gz OHVXPBPQOFEQHN-JTQLQIEISA-N 1 2 288.288 3.826 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(F)c(C)c1 ZINC000891937965 1118857094 /nfs/dbraw/zinc/85/70/94/1118857094.db2.gz WRNLHZQILFUAHN-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(F)c(C)c1 ZINC000891937965 1118857098 /nfs/dbraw/zinc/85/70/98/1118857098.db2.gz WRNLHZQILFUAHN-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510954473 1118872777 /nfs/dbraw/zinc/87/27/77/1118872777.db2.gz UJBVDARGEPWNOM-JTQLQIEISA-N 1 2 284.737 3.868 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1csc(CCC(C)C)n1 ZINC000181322605 1118911671 /nfs/dbraw/zinc/91/16/71/1118911671.db2.gz PHBWVWGDRNPNBG-UHFFFAOYSA-N 1 2 252.427 3.740 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1csc(CCC(C)C)n1 ZINC000181322605 1118911674 /nfs/dbraw/zinc/91/16/74/1118911674.db2.gz PHBWVWGDRNPNBG-UHFFFAOYSA-N 1 2 252.427 3.740 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(C#N)cc1F ZINC000611589004 1119057242 /nfs/dbraw/zinc/05/72/42/1119057242.db2.gz JAILBFFVQBTINF-SECBINFHSA-N 1 2 278.714 3.795 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1csc(Cl)c1 ZINC000588559031 1119260497 /nfs/dbraw/zinc/26/04/97/1119260497.db2.gz UCAMSYDKNHJTEB-PLNGDYQASA-N 1 2 288.759 3.945 20 30 CHEDLO CC[N@H+](CCC#N)Cc1c(OC)ccc2ccccc21 ZINC000127594639 1119366899 /nfs/dbraw/zinc/36/68/99/1119366899.db2.gz XGMGMBTYLNRUOR-UHFFFAOYSA-N 1 2 268.360 3.584 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1c(OC)ccc2ccccc21 ZINC000127594639 1119366901 /nfs/dbraw/zinc/36/69/01/1119366901.db2.gz XGMGMBTYLNRUOR-UHFFFAOYSA-N 1 2 268.360 3.584 20 30 CHEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000343535182 1119446741 /nfs/dbraw/zinc/44/67/41/1119446741.db2.gz OQXXWIXXTMHJNW-UHFFFAOYSA-N 1 2 287.794 3.676 20 30 CHEDLO C=CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000343535182 1119446743 /nfs/dbraw/zinc/44/67/43/1119446743.db2.gz OQXXWIXXTMHJNW-UHFFFAOYSA-N 1 2 287.794 3.676 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)nc3)n2c1 ZINC000179412565 1119736212 /nfs/dbraw/zinc/73/62/12/1119736212.db2.gz GRDUASNKOYTZJL-SNAWJCMRSA-N 1 2 297.745 3.587 20 30 CHEDLO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161256 1119738116 /nfs/dbraw/zinc/73/81/16/1119738116.db2.gz QMZXRDHKGAUSFS-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161256 1119738120 /nfs/dbraw/zinc/73/81/20/1119738120.db2.gz QMZXRDHKGAUSFS-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](CCSc2ccccc2F)C1 ZINC000612161754 1119738148 /nfs/dbraw/zinc/73/81/48/1119738148.db2.gz DNSNJQGGRFPDFS-HNNXBMFYSA-N 1 2 278.396 3.543 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](CCSc2ccccc2F)C1 ZINC000612161754 1119738150 /nfs/dbraw/zinc/73/81/50/1119738150.db2.gz DNSNJQGGRFPDFS-HNNXBMFYSA-N 1 2 278.396 3.543 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CCCOC2CCCC2)c1 ZINC000255849390 1119769092 /nfs/dbraw/zinc/76/90/92/1119769092.db2.gz XMEGIKOZZLOLEP-AQTBWJFISA-N 1 2 291.391 3.559 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000612585192 1119802209 /nfs/dbraw/zinc/80/22/09/1119802209.db2.gz RDDFXMXRRZLDER-UHFFFAOYSA-N 1 2 272.323 3.725 20 30 CHEDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000109784981 1120208171 /nfs/dbraw/zinc/20/81/71/1120208171.db2.gz YROYYAYSZATMCA-GFCCVEGCSA-N 1 2 284.334 3.596 20 30 CHEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000109784981 1120208172 /nfs/dbraw/zinc/20/81/72/1120208172.db2.gz YROYYAYSZATMCA-GFCCVEGCSA-N 1 2 284.334 3.596 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C)oc1C)Cc1ccccc1 ZINC000660448471 1120620294 /nfs/dbraw/zinc/62/02/94/1120620294.db2.gz SFXLXJHUQXSXGG-UHFFFAOYSA-N 1 2 270.376 3.870 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C)oc1C)Cc1ccccc1 ZINC000660448471 1120620296 /nfs/dbraw/zinc/62/02/96/1120620296.db2.gz SFXLXJHUQXSXGG-UHFFFAOYSA-N 1 2 270.376 3.870 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCCC#N ZINC000111309947 1120635544 /nfs/dbraw/zinc/63/55/44/1120635544.db2.gz SHKLNCJBORZXEE-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCCC#N ZINC000111309947 1120635546 /nfs/dbraw/zinc/63/55/46/1120635546.db2.gz SHKLNCJBORZXEE-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N(C)CC(C)(C)C#N ZINC000432150920 1120655841 /nfs/dbraw/zinc/65/58/41/1120655841.db2.gz PCOYYCJTBGJFQJ-UHFFFAOYSA-N 1 2 267.376 3.838 20 30 CHEDLO CC[C@H](C)Oc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000132268306 1120685592 /nfs/dbraw/zinc/68/55/92/1120685592.db2.gz KLPSMZAONNQDGF-KBPBESRZSA-N 1 2 290.407 3.606 20 30 CHEDLO CC[C@H](C)Oc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000132268306 1120685595 /nfs/dbraw/zinc/68/55/95/1120685595.db2.gz KLPSMZAONNQDGF-KBPBESRZSA-N 1 2 290.407 3.606 20 30 CHEDLO C=CCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661539832 1120776169 /nfs/dbraw/zinc/77/61/69/1120776169.db2.gz RWLFLEQMVXSCNO-NSHDSACASA-N 1 2 285.313 3.599 20 30 CHEDLO C=CCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661539832 1120776172 /nfs/dbraw/zinc/77/61/72/1120776172.db2.gz RWLFLEQMVXSCNO-NSHDSACASA-N 1 2 285.313 3.599 20 30 CHEDLO C=CC[N@H+](Cc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000661760721 1120811749 /nfs/dbraw/zinc/81/17/49/1120811749.db2.gz XXUOAYSUCBRPDS-UHFFFAOYSA-N 1 2 278.343 3.948 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000661760721 1120811752 /nfs/dbraw/zinc/81/17/52/1120811752.db2.gz XXUOAYSUCBRPDS-UHFFFAOYSA-N 1 2 278.343 3.948 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC000662078368 1120871857 /nfs/dbraw/zinc/87/18/57/1120871857.db2.gz JRJZUORWXZLPJG-GOSISDBHSA-N 1 2 284.403 3.550 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC000662078368 1120871861 /nfs/dbraw/zinc/87/18/61/1120871861.db2.gz JRJZUORWXZLPJG-GOSISDBHSA-N 1 2 284.403 3.550 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(C#N)ccc1F ZINC000053906535 1120936361 /nfs/dbraw/zinc/93/63/61/1120936361.db2.gz YAUHJQZLPGNOTL-UHFFFAOYSA-N 1 2 286.375 3.947 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1F ZINC000053906535 1120936367 /nfs/dbraw/zinc/93/63/67/1120936367.db2.gz YAUHJQZLPGNOTL-UHFFFAOYSA-N 1 2 286.375 3.947 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccnc(Cl)c3)c[nH+]c12 ZINC000779460751 1128954063 /nfs/dbraw/zinc/95/40/63/1128954063.db2.gz RYFSKMUXHDHWCD-SNAWJCMRSA-N 1 2 297.745 3.587 20 30 CHEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)c(Cl)c2)cc[nH+]1 ZINC001175261654 1121265429 /nfs/dbraw/zinc/26/54/29/1121265429.db2.gz YUMNYBDUZLVKGR-UHFFFAOYSA-N 1 2 296.679 3.901 20 30 CHEDLO Cc1cc(C#N)c(F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348679 1121275703 /nfs/dbraw/zinc/27/57/03/1121275703.db2.gz HPCBNVYTEROSKP-UHFFFAOYSA-N 1 2 296.349 3.745 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351953 1121294054 /nfs/dbraw/zinc/29/40/54/1121294054.db2.gz YGSXZAMMPBBPKM-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1nc2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2s1 ZINC000617314406 1121334462 /nfs/dbraw/zinc/33/44/62/1121334462.db2.gz XKVSNQJOFUKWBV-MRXNPFEDSA-N 1 2 285.416 3.730 20 30 CHEDLO Cc1nc2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2s1 ZINC000617314406 1121334471 /nfs/dbraw/zinc/33/44/71/1121334471.db2.gz XKVSNQJOFUKWBV-MRXNPFEDSA-N 1 2 285.416 3.730 20 30 CHEDLO CCc1cccc(F)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619428764 1128990895 /nfs/dbraw/zinc/99/08/95/1128990895.db2.gz HAAUCRBXELMZJZ-INIZCTEOSA-N 1 2 260.356 3.514 20 30 CHEDLO CCc1cccc(F)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619428764 1128990896 /nfs/dbraw/zinc/99/08/96/1128990896.db2.gz HAAUCRBXELMZJZ-INIZCTEOSA-N 1 2 260.356 3.514 20 30 CHEDLO COc1ccccc1-c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509776719 1121545121 /nfs/dbraw/zinc/54/51/21/1121545121.db2.gz YSPPKVSZYXDVNI-HNNXBMFYSA-N 1 2 294.398 3.954 20 30 CHEDLO COc1ccccc1-c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509776719 1121545124 /nfs/dbraw/zinc/54/51/24/1121545124.db2.gz YSPPKVSZYXDVNI-HNNXBMFYSA-N 1 2 294.398 3.954 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001176121569 1121557783 /nfs/dbraw/zinc/55/77/83/1121557783.db2.gz XXBDXDNYEYLPOX-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC[C@H](OCC)C(C)C)c1O ZINC000074797263 1121585923 /nfs/dbraw/zinc/58/59/23/1121585923.db2.gz FJSMYXVQLCYDER-BRFSQIRFSA-N 1 2 293.407 3.661 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2cccc(C#N)c2F)C2CC2)o1 ZINC000611371055 1121640395 /nfs/dbraw/zinc/64/03/95/1121640395.db2.gz DZMBUIXIJULTJQ-UHFFFAOYSA-N 1 2 284.334 3.763 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2cccc(C#N)c2F)C2CC2)o1 ZINC000611371055 1121640397 /nfs/dbraw/zinc/64/03/97/1121640397.db2.gz DZMBUIXIJULTJQ-UHFFFAOYSA-N 1 2 284.334 3.763 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccsc2Br)C1 ZINC000397647872 1121691755 /nfs/dbraw/zinc/69/17/55/1121691755.db2.gz ZYKXAXUDTUWPAE-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000397647872 1121691758 /nfs/dbraw/zinc/69/17/58/1121691758.db2.gz ZYKXAXUDTUWPAE-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO COCC[N@H+](CCC#N)Cc1cccc(C2CCCC2)c1 ZINC001180030801 1121940367 /nfs/dbraw/zinc/94/03/67/1121940367.db2.gz PMRAJDCRJSJOSR-UHFFFAOYSA-N 1 2 286.419 3.706 20 30 CHEDLO COCC[N@@H+](CCC#N)Cc1cccc(C2CCCC2)c1 ZINC001180030801 1121940372 /nfs/dbraw/zinc/94/03/72/1121940372.db2.gz PMRAJDCRJSJOSR-UHFFFAOYSA-N 1 2 286.419 3.706 20 30 CHEDLO C#Cc1ccc(C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC001206429655 1122010763 /nfs/dbraw/zinc/01/07/63/1122010763.db2.gz HRZWFIJGYGUZAE-UHFFFAOYSA-N 1 2 287.815 3.941 20 30 CHEDLO C#Cc1ccc(C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC001206429655 1122010769 /nfs/dbraw/zinc/01/07/69/1122010769.db2.gz HRZWFIJGYGUZAE-UHFFFAOYSA-N 1 2 287.815 3.941 20 30 CHEDLO COCCC1(C/[NH+]=C/c2ccccc2O)CCCCC1 ZINC000773904082 1122036906 /nfs/dbraw/zinc/03/69/06/1122036906.db2.gz BQOLORJSGPHKHD-QGOAFFKASA-N 1 2 275.392 3.798 20 30 CHEDLO C#C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccc(Cl)cc1 ZINC001182159731 1122115950 /nfs/dbraw/zinc/11/59/50/1122115950.db2.gz BKBQSKCPDRMQAU-CVEARBPZSA-N 1 2 282.774 3.686 20 30 CHEDLO C=CC[N@H+](Cc1cnccc1Br)C(C)(C)C ZINC001237388199 1129039975 /nfs/dbraw/zinc/03/99/75/1129039975.db2.gz IYDDSZCMGIWQNA-UHFFFAOYSA-N 1 2 283.213 3.631 20 30 CHEDLO C=CC[N@@H+](Cc1cnccc1Br)C(C)(C)C ZINC001237388199 1129039979 /nfs/dbraw/zinc/03/99/79/1129039979.db2.gz IYDDSZCMGIWQNA-UHFFFAOYSA-N 1 2 283.213 3.631 20 30 CHEDLO Cc1cc(C#N)c(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001185042336 1122313783 /nfs/dbraw/zinc/31/37/83/1122313783.db2.gz FVYLTSHFUAIPLO-UHFFFAOYSA-N 1 2 296.349 3.745 20 30 CHEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514233334 1122391828 /nfs/dbraw/zinc/39/18/28/1122391828.db2.gz YPNUIHWDPYCBOG-NSHDSACASA-N 1 2 291.395 3.913 20 30 CHEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514233334 1122391833 /nfs/dbraw/zinc/39/18/33/1122391833.db2.gz YPNUIHWDPYCBOG-NSHDSACASA-N 1 2 291.395 3.913 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2c(F)cc(F)cc2C#N)c1 ZINC001203666745 1122440596 /nfs/dbraw/zinc/44/05/96/1122440596.db2.gz DZVXRNHVASHSNF-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cn2cccc(Nc3cc(F)c(C#N)c(F)c3)c2[nH+]1 ZINC001203668752 1122444142 /nfs/dbraw/zinc/44/41/42/1122444142.db2.gz OXGGJFDVPMCRRS-UHFFFAOYSA-N 1 2 284.269 3.536 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@H]1c1ccccc1 ZINC000469330879 1122600351 /nfs/dbraw/zinc/60/03/51/1122600351.db2.gz TYJAWTLPQZYQKT-FZKQIMNGSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1c1ccccc1 ZINC000469330879 1122600352 /nfs/dbraw/zinc/60/03/52/1122600352.db2.gz TYJAWTLPQZYQKT-FZKQIMNGSA-N 1 2 280.346 3.890 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCc2cccc(Br)c2C1 ZINC001192225090 1122635742 /nfs/dbraw/zinc/63/57/42/1122635742.db2.gz YUCLCHGWUXQFMD-LBPRGKRZSA-N 1 2 292.220 3.609 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCc2cccc(Br)c2C1 ZINC001192225090 1122635745 /nfs/dbraw/zinc/63/57/45/1122635745.db2.gz YUCLCHGWUXQFMD-LBPRGKRZSA-N 1 2 292.220 3.609 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925026078 1122661718 /nfs/dbraw/zinc/66/17/18/1122661718.db2.gz CMTXRDXULNXGLV-OAHLLOKOSA-N 1 2 298.386 3.715 20 30 CHEDLO C[C@@H](C[N@H+](CC#N)C1CCCC1)c1ccc(F)cc1 ZINC000438095381 1122675937 /nfs/dbraw/zinc/67/59/37/1122675937.db2.gz INVNRBRFTOCYEE-ZDUSSCGKSA-N 1 2 260.356 3.697 20 30 CHEDLO C[C@@H](C[N@@H+](CC#N)C1CCCC1)c1ccc(F)cc1 ZINC000438095381 1122675941 /nfs/dbraw/zinc/67/59/41/1122675941.db2.gz INVNRBRFTOCYEE-ZDUSSCGKSA-N 1 2 260.356 3.697 20 30 CHEDLO CC[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@@H](CC)O1 ZINC001195298657 1122861922 /nfs/dbraw/zinc/86/19/22/1122861922.db2.gz GESYBIZKLPRDIN-IAGOWNOFSA-N 1 2 291.822 3.581 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001195305817 1122862305 /nfs/dbraw/zinc/86/23/05/1122862305.db2.gz GSIZVEMOOJAWOI-DLBZAZTESA-N 1 2 254.377 3.763 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001195305817 1122862310 /nfs/dbraw/zinc/86/23/10/1122862310.db2.gz GSIZVEMOOJAWOI-DLBZAZTESA-N 1 2 254.377 3.763 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)[C@H]1c1ccncc1 ZINC000664829332 1122870744 /nfs/dbraw/zinc/87/07/44/1122870744.db2.gz MCPKZXGRALXQNO-SFHVURJKSA-N 1 2 276.383 3.516 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)[C@H]1c1ccncc1 ZINC000664829332 1122870749 /nfs/dbraw/zinc/87/07/49/1122870749.db2.gz MCPKZXGRALXQNO-SFHVURJKSA-N 1 2 276.383 3.516 20 30 CHEDLO C[C@@H]1SCC[N@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441174442 1123064622 /nfs/dbraw/zinc/06/46/22/1123064622.db2.gz PDFZMJBFQDEXEQ-STQMWFEESA-N 1 2 279.836 3.517 20 30 CHEDLO C[C@@H]1SCC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441174442 1123064626 /nfs/dbraw/zinc/06/46/26/1123064626.db2.gz PDFZMJBFQDEXEQ-STQMWFEESA-N 1 2 279.836 3.517 20 30 CHEDLO C#Cc1ccc(Nc2ccc([NH2+]C(C)C)cc2)cn1 ZINC001201491060 1123109365 /nfs/dbraw/zinc/10/93/65/1123109365.db2.gz KYIMSNVSUMUQNW-UHFFFAOYSA-N 1 2 251.333 3.627 20 30 CHEDLO Cc1cc(C)c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c(C)[nH+]1 ZINC000328922006 1123114123 /nfs/dbraw/zinc/11/41/23/1123114123.db2.gz UEZAISKCRVCAPY-NOZJJQNGSA-N 1 2 274.364 3.600 20 30 CHEDLO N#Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(F)c1 ZINC001201561709 1123124099 /nfs/dbraw/zinc/12/40/99/1123124099.db2.gz PFCVBCJDCVIEJP-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO CCCCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001201840095 1123155068 /nfs/dbraw/zinc/15/50/68/1123155068.db2.gz LYRJVIZMPORLDU-LBPRGKRZSA-N 1 2 267.335 3.610 20 30 CHEDLO CCCCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001201840095 1123155070 /nfs/dbraw/zinc/15/50/70/1123155070.db2.gz LYRJVIZMPORLDU-LBPRGKRZSA-N 1 2 267.335 3.610 20 30 CHEDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(C#N)c1 ZINC000776218406 1123156635 /nfs/dbraw/zinc/15/66/35/1123156635.db2.gz IMYSHPAINXCGLS-LLVKDONJSA-N 1 2 286.762 3.768 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000335226706 1123323003 /nfs/dbraw/zinc/32/30/03/1123323003.db2.gz BSQIIOGGSPVQBX-UHFFFAOYSA-N 1 2 289.379 3.561 20 30 CHEDLO N#Cc1ccc(C[N@@H+](CC=C(Cl)Cl)C2CC2)cc1 ZINC000851738909 1123377098 /nfs/dbraw/zinc/37/70/98/1123377098.db2.gz XFAVZPUDYAAZAL-UHFFFAOYSA-N 1 2 281.186 3.842 20 30 CHEDLO N#Cc1ccc(C[N@H+](CC=C(Cl)Cl)C2CC2)cc1 ZINC000851738909 1123377100 /nfs/dbraw/zinc/37/71/00/1123377100.db2.gz XFAVZPUDYAAZAL-UHFFFAOYSA-N 1 2 281.186 3.842 20 30 CHEDLO Cc1[nH+]cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)n1C ZINC000853294351 1123432254 /nfs/dbraw/zinc/43/22/54/1123432254.db2.gz MSVSGPCNWNEMPV-ZDUSSCGKSA-N 1 2 284.407 3.537 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC(F)(F)C1 ZINC000853567140 1123443538 /nfs/dbraw/zinc/44/35/38/1123443538.db2.gz UCZWTZBRZMDGOY-ZDUSSCGKSA-N 1 2 294.345 3.721 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)CC(F)F ZINC000853709013 1123448427 /nfs/dbraw/zinc/44/84/27/1123448427.db2.gz VQMRFNMVNYMYFS-LBPRGKRZSA-N 1 2 282.334 3.577 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895451299 1123481316 /nfs/dbraw/zinc/48/13/16/1123481316.db2.gz VYIWTWLAMGLVLZ-GOSISDBHSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895451299 1123481320 /nfs/dbraw/zinc/48/13/20/1123481320.db2.gz VYIWTWLAMGLVLZ-GOSISDBHSA-N 1 2 293.370 3.609 20 30 CHEDLO Cc1cc(C)c2cc(N[C@H]3CC[C@H](C#N)C3)ccc2[nH+]1 ZINC000895879635 1123524582 /nfs/dbraw/zinc/52/45/82/1123524582.db2.gz SUYRSBAUVAPXIK-KBPBESRZSA-N 1 2 265.360 3.956 20 30 CHEDLO C=C(Br)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000113505649 1123529702 /nfs/dbraw/zinc/52/97/02/1123529702.db2.gz FVOQCMMLOFZCBI-UHFFFAOYSA-N 1 2 296.208 3.513 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000113505649 1123529705 /nfs/dbraw/zinc/52/97/05/1123529705.db2.gz FVOQCMMLOFZCBI-UHFFFAOYSA-N 1 2 296.208 3.513 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cn(C)nc1Cl)Cc1ccccc1 ZINC000857042267 1123580330 /nfs/dbraw/zinc/58/03/30/1123580330.db2.gz HFVDYHQCVVLGPU-UHFFFAOYSA-N 1 2 289.810 3.652 20 30 CHEDLO C=C(C)C[N@H+](Cc1cn(C)nc1Cl)Cc1ccccc1 ZINC000857042267 1123580331 /nfs/dbraw/zinc/58/03/31/1123580331.db2.gz HFVDYHQCVVLGPU-UHFFFAOYSA-N 1 2 289.810 3.652 20 30 CHEDLO C=CCN(CC1CCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC000776917556 1123587864 /nfs/dbraw/zinc/58/78/64/1123587864.db2.gz HUSADIPRUGXQDY-UHFFFAOYSA-N 1 2 297.402 3.543 20 30 CHEDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428307840 1123643146 /nfs/dbraw/zinc/64/31/46/1123643146.db2.gz WUAUCMKWOYLSMD-KRWDZBQOSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428307840 1123643148 /nfs/dbraw/zinc/64/31/48/1123643148.db2.gz WUAUCMKWOYLSMD-KRWDZBQOSA-N 1 2 283.350 3.675 20 30 CHEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1 ZINC000777036660 1123662447 /nfs/dbraw/zinc/66/24/47/1123662447.db2.gz MAADYQDXHSFXRR-GFCCVEGCSA-N 1 2 292.766 3.657 20 30 CHEDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCC#N ZINC000346271124 1123676913 /nfs/dbraw/zinc/67/69/13/1123676913.db2.gz NWYRXZXEJWXNKT-JTQLQIEISA-N 1 2 256.271 3.612 20 30 CHEDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC#N ZINC000346271124 1123676917 /nfs/dbraw/zinc/67/69/17/1123676917.db2.gz NWYRXZXEJWXNKT-JTQLQIEISA-N 1 2 256.271 3.612 20 30 CHEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000281174094 1123684752 /nfs/dbraw/zinc/68/47/52/1123684752.db2.gz QYJCHXKTSLIJNP-QGZVFWFLSA-N 1 2 294.402 3.502 20 30 CHEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000281174094 1123684754 /nfs/dbraw/zinc/68/47/54/1123684754.db2.gz QYJCHXKTSLIJNP-QGZVFWFLSA-N 1 2 294.402 3.502 20 30 CHEDLO N#CC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000336426586 1123771052 /nfs/dbraw/zinc/77/10/52/1123771052.db2.gz OQGLCFVLJLBCLO-UHFFFAOYSA-N 1 2 274.311 3.502 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H](C)C#N ZINC000042324073 1123783305 /nfs/dbraw/zinc/78/33/05/1123783305.db2.gz LMLRXNRIMSDQAY-JTQLQIEISA-N 1 2 299.187 3.570 20 30 CHEDLO CC[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H](C)C#N ZINC000042324073 1123783309 /nfs/dbraw/zinc/78/33/09/1123783309.db2.gz LMLRXNRIMSDQAY-JTQLQIEISA-N 1 2 299.187 3.570 20 30 CHEDLO Cc1ccc(C)c(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000119120977 1123831896 /nfs/dbraw/zinc/83/18/96/1123831896.db2.gz YUXICZLWHIOCHZ-CMDGGOBGSA-N 1 2 276.339 3.847 20 30 CHEDLO CCOc1cccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000119135398 1123833155 /nfs/dbraw/zinc/83/31/55/1123833155.db2.gz QJFKIHPQRMKWMU-MDZDMXLPSA-N 1 2 292.338 3.629 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000794651010 1123925215 /nfs/dbraw/zinc/92/52/15/1123925215.db2.gz QDYNVKOHRVEIFI-UHFFFAOYSA-N 1 2 275.783 3.572 20 30 CHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000794651010 1123925220 /nfs/dbraw/zinc/92/52/20/1123925220.db2.gz QDYNVKOHRVEIFI-UHFFFAOYSA-N 1 2 275.783 3.572 20 30 CHEDLO NC(=[NH+]OCc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000794714335 1123942426 /nfs/dbraw/zinc/94/24/26/1123942426.db2.gz FPVQDJUSMCNSHE-UHFFFAOYSA-N 1 2 294.276 3.600 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc(C#N)cc1 ZINC000866241518 1124040444 /nfs/dbraw/zinc/04/04/44/1124040444.db2.gz AUAMMVQMJSKCTG-BJOOFOGMSA-N 1 2 296.345 3.681 20 30 CHEDLO Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2C#N)ccc1F ZINC000444734141 1124056672 /nfs/dbraw/zinc/05/66/72/1124056672.db2.gz MBAQABSEUXKULT-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(C[N@H+](C)Cc2ccc(F)cc2C#N)ccc1F ZINC000444734141 1124056675 /nfs/dbraw/zinc/05/66/75/1124056675.db2.gz MBAQABSEUXKULT-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1[nH+]c(C=NNc2cc(C)ccc2F)c2ccccn12 ZINC000759663564 1124124096 /nfs/dbraw/zinc/12/40/96/1124124096.db2.gz FGLBHYFMOYMOOK-UHFFFAOYSA-N 1 2 282.322 3.536 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1coc(C(C)(C)C)n1 ZINC001119775543 1131263940 /nfs/dbraw/zinc/26/39/40/1131263940.db2.gz BQEIRKUONZKUFN-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1coc(C(C)(C)C)n1 ZINC001119775543 1131263945 /nfs/dbraw/zinc/26/39/45/1131263945.db2.gz BQEIRKUONZKUFN-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO Cc1cc(COc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000447320118 1124464688 /nfs/dbraw/zinc/46/46/88/1124464688.db2.gz WQJXJSIQDUCCBF-UHFFFAOYSA-N 1 2 289.338 3.631 20 30 CHEDLO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000509656068 1124501834 /nfs/dbraw/zinc/50/18/34/1124501834.db2.gz FZBTZARSLHWSDK-HNNXBMFYSA-N 1 2 283.774 3.819 20 30 CHEDLO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000509656068 1124501839 /nfs/dbraw/zinc/50/18/39/1124501839.db2.gz FZBTZARSLHWSDK-HNNXBMFYSA-N 1 2 283.774 3.819 20 30 CHEDLO CC1CCC(C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000447904622 1124543733 /nfs/dbraw/zinc/54/37/33/1124543733.db2.gz QMFGIVYDRLRQFN-ZGUYJTEBSA-N 1 2 290.451 3.740 20 30 CHEDLO CC1CCC(C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000447904622 1124543741 /nfs/dbraw/zinc/54/37/41/1124543741.db2.gz QMFGIVYDRLRQFN-ZGUYJTEBSA-N 1 2 290.451 3.740 20 30 CHEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cs1 ZINC000449039132 1124638601 /nfs/dbraw/zinc/63/86/01/1124638601.db2.gz BCWHSTBVYSGDND-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cs1 ZINC000449039132 1124638602 /nfs/dbraw/zinc/63/86/02/1124638602.db2.gz BCWHSTBVYSGDND-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(F)F ZINC000449360010 1124712055 /nfs/dbraw/zinc/71/20/55/1124712055.db2.gz INJWMQHAPRIXPZ-AWEZNQCLSA-N 1 2 282.334 3.502 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000049943068 1125229389 /nfs/dbraw/zinc/22/93/89/1125229389.db2.gz ZOGURXMFUWBGIT-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000049943068 1125229392 /nfs/dbraw/zinc/22/93/92/1125229392.db2.gz ZOGURXMFUWBGIT-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136513 1125301458 /nfs/dbraw/zinc/30/14/58/1125301458.db2.gz ZABRYNFXQVITFC-CVEARBPZSA-N 1 2 297.389 3.512 20 30 CHEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136513 1125301464 /nfs/dbraw/zinc/30/14/64/1125301464.db2.gz ZABRYNFXQVITFC-CVEARBPZSA-N 1 2 297.389 3.512 20 30 CHEDLO CCOCCC1(C/[NH+]=C/c2cccc(O)c2O)CCCC1 ZINC000760212899 1125301517 /nfs/dbraw/zinc/30/15/17/1125301517.db2.gz UIQWHYKBBSESNK-LDADJPATSA-N 1 2 291.391 3.504 20 30 CHEDLO COc1cc(C)ccc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000740765206 1125313091 /nfs/dbraw/zinc/31/30/91/1125313091.db2.gz SDXQJLSLMDNMMO-VQHVLOKHSA-N 1 2 292.338 3.547 20 30 CHEDLO C=CC[N@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000064344953 1125330661 /nfs/dbraw/zinc/33/06/61/1125330661.db2.gz LOOWIBBPMBIGDP-UHFFFAOYSA-N 1 2 283.400 3.584 20 30 CHEDLO C=CC[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000064344953 1125330664 /nfs/dbraw/zinc/33/06/64/1125330664.db2.gz LOOWIBBPMBIGDP-UHFFFAOYSA-N 1 2 283.400 3.584 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000883204951 1125377466 /nfs/dbraw/zinc/37/74/66/1125377466.db2.gz LTMWBAHIHHSVKE-KRWDZBQOSA-N 1 2 269.392 3.905 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000042529991 1125391621 /nfs/dbraw/zinc/39/16/21/1125391621.db2.gz DVOCKKPLVZRTRA-UHFFFAOYSA-N 1 2 299.187 3.712 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000042529991 1125391623 /nfs/dbraw/zinc/39/16/23/1125391623.db2.gz DVOCKKPLVZRTRA-UHFFFAOYSA-N 1 2 299.187 3.712 20 30 CHEDLO O=C1c2c(Cl)sc(Cl)c2CC/C1=C\c1[nH]cc[nH+]1 ZINC000760263570 1125426905 /nfs/dbraw/zinc/42/69/05/1125426905.db2.gz FORMHFPEBJHENU-AATRIKPKSA-N 1 2 299.182 3.991 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CC2Cc3ccccc3C2)c1 ZINC000735229163 1129336060 /nfs/dbraw/zinc/33/60/60/1129336060.db2.gz SVTXWKATOOBDCH-DEDYPNTBSA-N 1 2 295.382 3.625 20 30 CHEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001648573080 1129357576 /nfs/dbraw/zinc/35/75/76/1129357576.db2.gz AAXKPACNXYTLHE-UHFFFAOYSA-N 1 2 298.213 3.987 20 30 CHEDLO Cc1ccsc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000740765842 1129419012 /nfs/dbraw/zinc/41/90/12/1129419012.db2.gz WUHOJVNVVDVTFF-WAYWQWQTSA-N 1 2 268.341 3.600 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC001137557411 1131378168 /nfs/dbraw/zinc/37/81/68/1131378168.db2.gz UWZSYOWIJLKYIP-UHFFFAOYSA-N 1 2 299.187 3.714 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC001137557411 1131378172 /nfs/dbraw/zinc/37/81/72/1131378172.db2.gz UWZSYOWIJLKYIP-UHFFFAOYSA-N 1 2 299.187 3.714 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CC[C@H](OCC)C(C)C)c(O)c1 ZINC000746394054 1129655024 /nfs/dbraw/zinc/65/50/24/1129655024.db2.gz NITFYUNUCLWRLA-BOFQVRIASA-N 1 2 293.407 3.661 20 30 CHEDLO C=C(Br)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC001169418852 1129725715 /nfs/dbraw/zinc/72/57/15/1129725715.db2.gz BTUUUEQXXBAJPK-UHFFFAOYSA-N 1 2 280.209 3.570 20 30 CHEDLO C=C(Br)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC001169418852 1129725718 /nfs/dbraw/zinc/72/57/18/1129725718.db2.gz BTUUUEQXXBAJPK-UHFFFAOYSA-N 1 2 280.209 3.570 20 30 CHEDLO C[C@H](CNc1cc(C2(C#N)CC2)cc[nH+]1)c1ccc(O)cc1 ZINC001169537149 1129734190 /nfs/dbraw/zinc/73/41/90/1129734190.db2.gz AIEDNHJBFSJTKK-CYBMUJFWSA-N 1 2 293.370 3.558 20 30 CHEDLO Cc1cc(NC23CCC(C#N)(CC2)CC3)[nH+]c2cc[nH]c21 ZINC001169751880 1129752669 /nfs/dbraw/zinc/75/26/69/1129752669.db2.gz KFQVBKKKFHIVBS-UHFFFAOYSA-N 1 2 280.375 3.900 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000768153521 1129836817 /nfs/dbraw/zinc/83/68/17/1129836817.db2.gz HPVROSJDHUGOFZ-HIFRSBDPSA-N 1 2 260.381 3.775 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000768153521 1129836822 /nfs/dbraw/zinc/83/68/22/1129836822.db2.gz HPVROSJDHUGOFZ-HIFRSBDPSA-N 1 2 260.381 3.775 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)cnc1Cl ZINC000769335890 1129903277 /nfs/dbraw/zinc/90/32/77/1129903277.db2.gz ROHXYPAKFPKCNA-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cnc1Cl ZINC000769335890 1129903279 /nfs/dbraw/zinc/90/32/79/1129903279.db2.gz ROHXYPAKFPKCNA-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1cc(F)ccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000769611171 1129919220 /nfs/dbraw/zinc/91/92/20/1129919220.db2.gz WQNGTUHAHMDYRQ-SOFGYWHQSA-N 1 2 280.302 3.678 20 30 CHEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901427614 1129924031 /nfs/dbraw/zinc/92/40/31/1129924031.db2.gz MOYDLJFESLSKPJ-YFHOEESVSA-N 1 2 284.359 3.759 20 30 CHEDLO Cc1[nH]c(/C=C\C(=O)c2ccc(C)cc2C)[nH+]c1C ZINC000901430149 1129924392 /nfs/dbraw/zinc/92/43/92/1129924392.db2.gz IIGZLFJKKAGYRF-FPLPWBNLSA-N 1 2 254.333 3.539 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000769920694 1129929245 /nfs/dbraw/zinc/92/92/45/1129929245.db2.gz XISPWLSEESRLIK-GFCCVEGCSA-N 1 2 276.792 3.651 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)CC2 ZINC000901486304 1129929743 /nfs/dbraw/zinc/92/97/43/1129929743.db2.gz AQHMAYBXRLRQHW-DHDCSXOGSA-N 1 2 280.371 3.985 20 30 CHEDLO Cc1[nH]c(/C=C2\C(=O)c3cccc(C)c3[C@@H]2C)[nH+]c1C ZINC000901490339 1129930457 /nfs/dbraw/zinc/93/04/57/1129930457.db2.gz VBOJZVJETVMQTF-DOQDJBIESA-N 1 2 266.344 3.718 20 30 CHEDLO COc1ccc2c(c1)C(C)(C)/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901499457 1129932246 /nfs/dbraw/zinc/93/22/46/1129932246.db2.gz GAQOACXGBTZEGS-DHDCSXOGSA-N 1 2 296.370 3.593 20 30 CHEDLO Cc1oc(C(C)(C)C)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000902067900 1129977071 /nfs/dbraw/zinc/97/70/71/1129977071.db2.gz PZZOHUUWHDWCAZ-UHFFFAOYSA-N 1 2 283.375 3.959 20 30 CHEDLO CCC(CC)[C@@H](CC/[NH+]=C/c1cc(OC)ccc1O)OC ZINC000746521246 1130001451 /nfs/dbraw/zinc/00/14/51/1130001451.db2.gz GBYFPXYRUJFVIN-YPOUMIDOSA-N 1 2 293.407 3.661 20 30 CHEDLO CN(C)c1cc(CSCC2CCC(C#N)CC2)cc[nH+]1 ZINC000902370151 1130004231 /nfs/dbraw/zinc/00/42/31/1130004231.db2.gz PUKSEDFAFCWIEL-UHFFFAOYSA-N 1 2 289.448 3.711 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1cc(C#N)ccn1 ZINC000902756442 1130051781 /nfs/dbraw/zinc/05/17/81/1130051781.db2.gz ZRZGKFMRNHRCBJ-HUBLWGQQSA-N 1 2 281.359 3.520 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1OC(F)F ZINC000903030462 1130101714 /nfs/dbraw/zinc/10/17/14/1130101714.db2.gz CBURZSQMFJVGPT-JTQLQIEISA-N 1 2 298.308 3.772 20 30 CHEDLO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(Cl)c1O ZINC000903035566 1130102931 /nfs/dbraw/zinc/10/29/31/1130102931.db2.gz RHSPNGUDAXEBCP-CYBMUJFWSA-N 1 2 278.783 3.780 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1nc2c(s1)CCCC2 ZINC000903109792 1130114526 /nfs/dbraw/zinc/11/45/26/1130114526.db2.gz VJEHJVKTORILHM-GFCCVEGCSA-N 1 2 289.448 3.756 20 30 CHEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1sccc1Cl ZINC000903262936 1130139326 /nfs/dbraw/zinc/13/93/26/1130139326.db2.gz JOUXFTLTJLAOHZ-JTQLQIEISA-N 1 2 297.836 3.971 20 30 CHEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1sccc1Cl ZINC000903262937 1130139627 /nfs/dbraw/zinc/13/96/27/1130139627.db2.gz JOUXFTLTJLAOHZ-SNVBAGLBSA-N 1 2 297.836 3.971 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000787310583 1130147262 /nfs/dbraw/zinc/14/72/62/1130147262.db2.gz OZYCMTMTTLUSIG-LBPRGKRZSA-N 1 2 251.757 3.586 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000787310583 1130147266 /nfs/dbraw/zinc/14/72/66/1130147266.db2.gz OZYCMTMTTLUSIG-LBPRGKRZSA-N 1 2 251.757 3.586 20 30 CHEDLO Cc1[nH+]c(-c2cc(F)c(C#N)c(F)c2)cc2[nH]ccc21 ZINC001239918321 1130152732 /nfs/dbraw/zinc/15/27/32/1130152732.db2.gz BGCFTOQUQWATKO-UHFFFAOYSA-N 1 2 269.254 3.688 20 30 CHEDLO COCc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001239936689 1130159037 /nfs/dbraw/zinc/15/90/37/1130159037.db2.gz BLTJZFVKARJRGM-DEDYPNTBSA-N 1 2 293.370 3.593 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000787997704 1130168294 /nfs/dbraw/zinc/16/82/94/1130168294.db2.gz PZYMIJKAWDDCQE-UHFFFAOYSA-N 1 2 298.455 3.772 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000787997704 1130168295 /nfs/dbraw/zinc/16/82/95/1130168295.db2.gz PZYMIJKAWDDCQE-UHFFFAOYSA-N 1 2 298.455 3.772 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000787997140 1130168365 /nfs/dbraw/zinc/16/83/65/1130168365.db2.gz GMQPPVUURXUMIE-UHFFFAOYSA-N 1 2 272.779 3.732 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1cc2ccccc2nc1Cl ZINC000787997140 1130168367 /nfs/dbraw/zinc/16/83/67/1130168367.db2.gz GMQPPVUURXUMIE-UHFFFAOYSA-N 1 2 272.779 3.732 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000787998049 1130168459 /nfs/dbraw/zinc/16/84/59/1130168459.db2.gz WCAGMMHUSXDROM-UHFFFAOYSA-N 1 2 288.391 3.793 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000787998049 1130168460 /nfs/dbraw/zinc/16/84/60/1130168460.db2.gz WCAGMMHUSXDROM-UHFFFAOYSA-N 1 2 288.391 3.793 20 30 CHEDLO C=CCOCc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240220792 1130238691 /nfs/dbraw/zinc/23/86/91/1130238691.db2.gz BETPWWNRIJAIHM-UHFFFAOYSA-N 1 2 264.328 3.704 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3/CCc4ccccc4C3=O)n21 ZINC000748993597 1130257767 /nfs/dbraw/zinc/25/77/67/1130257767.db2.gz ARGNZTBXMCLJES-PTNGSMBKSA-N 1 2 288.350 3.855 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccsc3)n21 ZINC000748996849 1130259286 /nfs/dbraw/zinc/25/92/86/1130259286.db2.gz BISBNWCKSLHBRV-WAYWQWQTSA-N 1 2 268.341 3.600 20 30 CHEDLO N#CC1(c2ccc(-c3ccn4cc[nH+]c4c3)cc2)CCC1 ZINC001240509331 1130334513 /nfs/dbraw/zinc/33/45/13/1130334513.db2.gz WGKIRSMMIASMPL-UHFFFAOYSA-N 1 2 273.339 3.947 20 30 CHEDLO N#CCOc1ccccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001212600499 1130468069 /nfs/dbraw/zinc/46/80/69/1130468069.db2.gz XEQBYZCFAPOBHZ-UHFFFAOYSA-N 1 2 290.326 3.518 20 30 CHEDLO CC(C)(S)CNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001170307404 1130483002 /nfs/dbraw/zinc/48/30/02/1130483002.db2.gz YURPJZPZAPKELC-UHFFFAOYSA-N 1 2 289.326 3.702 20 30 CHEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1C ZINC001240865460 1130497908 /nfs/dbraw/zinc/49/79/08/1130497908.db2.gz LTBRRBJQBOBUAQ-UDWIEESQSA-N 1 2 293.370 3.764 20 30 CHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(F)c1Cl ZINC001255165266 1130533944 /nfs/dbraw/zinc/53/39/44/1130533944.db2.gz WAXQMLIKMURMHK-ZJUUUORDSA-N 1 2 254.736 3.822 20 30 CHEDLO CC(C)c1ncc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000758369020 1130608882 /nfs/dbraw/zinc/60/88/82/1130608882.db2.gz DDVVTIBDLHZGLB-UHFFFAOYSA-N 1 2 296.399 3.683 20 30 CHEDLO C#C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(Cl)cc1 ZINC000811517388 1130615455 /nfs/dbraw/zinc/61/54/55/1130615455.db2.gz QXRYNZLCFWDLCA-HNNXBMFYSA-N 1 2 295.773 3.680 20 30 CHEDLO Cl/C=C/CO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000811671462 1130634958 /nfs/dbraw/zinc/63/49/58/1130634958.db2.gz FXRUWOQDOHCBJE-PVSDPCLQSA-N 1 2 284.812 3.841 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(Cl)nc3)n21 ZINC000759081493 1130635113 /nfs/dbraw/zinc/63/51/13/1130635113.db2.gz HMKCTRVXFJQACJ-SREVYHEPSA-N 1 2 297.745 3.587 20 30 CHEDLO C#C[C@@H](Nc1nc(C)[nH+]c(C)c1C)c1ccc(Cl)cc1 ZINC000811862223 1130652097 /nfs/dbraw/zinc/65/20/97/1130652097.db2.gz UJORDMCQEFMBMF-OAHLLOKOSA-N 1 2 285.778 3.842 20 30 CHEDLO Cc1ccc(F)c(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000759652365 1130666952 /nfs/dbraw/zinc/66/69/52/1130666952.db2.gz HUNHHAMMSBTTPP-UHFFFAOYSA-N 1 2 294.333 3.766 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235044868 1130706881 /nfs/dbraw/zinc/70/68/81/1130706881.db2.gz WBGNUOGOTTXNHL-CYBMUJFWSA-N 1 2 283.350 3.556 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235044868 1130706886 /nfs/dbraw/zinc/70/68/86/1130706886.db2.gz WBGNUOGOTTXNHL-CYBMUJFWSA-N 1 2 283.350 3.556 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235122928 1130712783 /nfs/dbraw/zinc/71/27/83/1130712783.db2.gz RLDOOBFUFGSCJJ-MRXNPFEDSA-N 1 2 293.370 3.609 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235122928 1130712789 /nfs/dbraw/zinc/71/27/89/1130712789.db2.gz RLDOOBFUFGSCJJ-MRXNPFEDSA-N 1 2 293.370 3.609 20 30 CHEDLO N#Cc1cc(F)c(C[N@@H+]2CCCc3ccccc3C2)c(F)c1 ZINC001235659747 1130762394 /nfs/dbraw/zinc/76/23/94/1130762394.db2.gz ZHNUCMCFAMBUOD-UHFFFAOYSA-N 1 2 298.336 3.785 20 30 CHEDLO N#Cc1cc(F)c(C[N@H+]2CCCc3ccccc3C2)c(F)c1 ZINC001235659747 1130762398 /nfs/dbraw/zinc/76/23/98/1130762398.db2.gz ZHNUCMCFAMBUOD-UHFFFAOYSA-N 1 2 298.336 3.785 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783506925 1130830620 /nfs/dbraw/zinc/83/06/20/1130830620.db2.gz RGEQIZCFLFAXNU-UHFFFAOYSA-N 1 2 295.770 3.620 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783506925 1130830627 /nfs/dbraw/zinc/83/06/27/1130830627.db2.gz RGEQIZCFLFAXNU-UHFFFAOYSA-N 1 2 295.770 3.620 20 30 CHEDLO CCC(=[NH+]Nc1cc(C)ccc1F)c1cccc(N)c1 ZINC000814872596 1130928079 /nfs/dbraw/zinc/92/80/79/1130928079.db2.gz RIVQCDUNDAGOFA-UHFFFAOYSA-N 1 2 271.339 3.943 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)c(F)c1F)c1ccc(N)cc1C ZINC000814945017 1130943358 /nfs/dbraw/zinc/94/33/58/1130943358.db2.gz HXRKHITUUZCNRC-UHFFFAOYSA-N 1 2 293.292 3.831 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(C)c1Cl ZINC001236720091 1130999313 /nfs/dbraw/zinc/99/93/13/1130999313.db2.gz WKBPRIDUABSOSW-UHFFFAOYSA-N 1 2 253.748 3.962 20 30 CHEDLO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000815637058 1131014262 /nfs/dbraw/zinc/01/42/62/1131014262.db2.gz LCWYJXVNXIXLDX-JTQLQIEISA-N 1 2 269.335 3.923 20 30 CHEDLO C=C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000798902542 1131055641 /nfs/dbraw/zinc/05/56/41/1131055641.db2.gz DCFQSPKKIWWJLC-OAHLLOKOSA-N 1 2 284.359 3.630 20 30 CHEDLO Cc1c(F)c(F)ccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001237152889 1131059404 /nfs/dbraw/zinc/05/94/04/1131059404.db2.gz DHPAQGSXDKXAGT-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1c(F)c(F)ccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001237152889 1131059409 /nfs/dbraw/zinc/05/94/09/1131059409.db2.gz DHPAQGSXDKXAGT-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798958756 1131065316 /nfs/dbraw/zinc/06/53/16/1131065316.db2.gz JZKJPBUZZPSEHB-LLVKDONJSA-N 1 2 257.736 3.629 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccnc(F)c1C)c1ccc(Cl)cc1 ZINC001206084800 1131080274 /nfs/dbraw/zinc/08/02/74/1131080274.db2.gz NXBXUFAFEWCSGF-HNNXBMFYSA-N 1 2 288.753 3.647 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCc1ccc2[nH]ccc2c1 ZINC000799743140 1131107947 /nfs/dbraw/zinc/10/79/47/1131107947.db2.gz XGOYEMFMHMZVHB-LDADJPATSA-N 1 2 264.328 3.535 20 30 CHEDLO Cc1ccc(F)c(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC001138027610 1131132083 /nfs/dbraw/zinc/13/20/83/1131132083.db2.gz AMCIBKOHFPRBGL-UHFFFAOYSA-N 1 2 280.774 3.913 20 30 CHEDLO COc1ccc(N[NH2+]C=CC(F)(F)F)cc1Cl ZINC000817326637 1131153322 /nfs/dbraw/zinc/15/33/22/1131153322.db2.gz SSOYWXPKSWRXMT-UHFFFAOYSA-N 1 2 266.650 3.699 20 30 CHEDLO Cc1cc(C)c(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1C ZINC001117352064 1131186900 /nfs/dbraw/zinc/18/69/00/1131186900.db2.gz YJSYBTAPCLHLBW-HJWRWDBZSA-N 1 2 294.398 3.969 20 30 CHEDLO CN(C)c1cc(CSCc2ccc(CC#N)cc2)cc[nH+]1 ZINC001118123711 1131211250 /nfs/dbraw/zinc/21/12/50/1131211250.db2.gz SHISDNMQFXDLSY-UHFFFAOYSA-N 1 2 297.427 3.647 20 30 CHEDLO CC(C)c1cnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000823617709 1131434313 /nfs/dbraw/zinc/43/43/13/1131434313.db2.gz LFVUUKYCDACPHI-CYBMUJFWSA-N 1 2 283.375 3.863 20 30 CHEDLO CC(C)c1cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000823617709 1131434315 /nfs/dbraw/zinc/43/43/15/1131434315.db2.gz LFVUUKYCDACPHI-CYBMUJFWSA-N 1 2 283.375 3.863 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136860763 1131464759 /nfs/dbraw/zinc/46/47/59/1131464759.db2.gz BBSHDJMVNLAEDD-UHFFFAOYSA-N 1 2 261.756 3.557 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136860763 1131464761 /nfs/dbraw/zinc/46/47/61/1131464761.db2.gz BBSHDJMVNLAEDD-UHFFFAOYSA-N 1 2 261.756 3.557 20 30 CHEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089186 1131511263 /nfs/dbraw/zinc/51/12/63/1131511263.db2.gz YUSVYHVXIFEEOE-GXFFZTMASA-N 1 2 295.213 3.696 20 30 CHEDLO N#C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171089186 1131511266 /nfs/dbraw/zinc/51/12/66/1131511266.db2.gz YUSVYHVXIFEEOE-GXFFZTMASA-N 1 2 295.213 3.696 20 30 CHEDLO CC(C)c1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cs1 ZINC001138887765 1131557675 /nfs/dbraw/zinc/55/76/75/1131557675.db2.gz SMGXNHPDPRPSKA-DEZZGGKRSA-N 1 2 275.421 3.533 20 30 CHEDLO CC(C)c1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cs1 ZINC001138887765 1131557676 /nfs/dbraw/zinc/55/76/76/1131557676.db2.gz SMGXNHPDPRPSKA-DEZZGGKRSA-N 1 2 275.421 3.533 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1[nH]c(CCCC)nc1Cl ZINC001139179621 1131593025 /nfs/dbraw/zinc/59/30/25/1131593025.db2.gz VDLIBWOKYCCKJC-UHFFFAOYSA-N 1 2 269.820 3.804 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1[nH]c(CCCC)nc1Cl ZINC001139179621 1131593028 /nfs/dbraw/zinc/59/30/28/1131593028.db2.gz VDLIBWOKYCCKJC-UHFFFAOYSA-N 1 2 269.820 3.804 20 30 CHEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1C(C)C ZINC001139623752 1131624996 /nfs/dbraw/zinc/62/49/96/1131624996.db2.gz CKUBXGPNMBOKCV-QGZVFWFLSA-N 1 2 272.392 3.554 20 30 CHEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1C(C)C ZINC001139623752 1131625001 /nfs/dbraw/zinc/62/50/01/1131625001.db2.gz CKUBXGPNMBOKCV-QGZVFWFLSA-N 1 2 272.392 3.554 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001139691981 1131629781 /nfs/dbraw/zinc/62/97/81/1131629781.db2.gz MCVSHHYNVFTKFQ-LLVKDONJSA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001139691981 1131629786 /nfs/dbraw/zinc/62/97/86/1131629786.db2.gz MCVSHHYNVFTKFQ-LLVKDONJSA-N 1 2 284.737 3.689 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140339385 1131702295 /nfs/dbraw/zinc/70/22/95/1131702295.db2.gz KVXIXAODXIQISQ-MRXNPFEDSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140339385 1131702299 /nfs/dbraw/zinc/70/22/99/1131702299.db2.gz KVXIXAODXIQISQ-MRXNPFEDSA-N 1 2 283.400 3.546 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)cn1 ZINC001140544582 1131787382 /nfs/dbraw/zinc/78/73/82/1131787382.db2.gz UTEJOYDRLHPZEJ-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)cn1 ZINC001140544582 1131787387 /nfs/dbraw/zinc/78/73/87/1131787387.db2.gz UTEJOYDRLHPZEJ-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cn1 ZINC001140547043 1131788236 /nfs/dbraw/zinc/78/82/36/1131788236.db2.gz FXXFKPYZRDVSAT-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cn1 ZINC001140547043 1131788242 /nfs/dbraw/zinc/78/82/42/1131788242.db2.gz FXXFKPYZRDVSAT-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC001140600795 1131820871 /nfs/dbraw/zinc/82/08/71/1131820871.db2.gz VSTOWATZJCROIV-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCc3sccc3C2)c1 ZINC001140600795 1131820877 /nfs/dbraw/zinc/82/08/77/1131820877.db2.gz VSTOWATZJCROIV-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO CC[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140601019 1131821826 /nfs/dbraw/zinc/82/18/26/1131821826.db2.gz FZWYVVAYVUVZJG-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140601019 1131821832 /nfs/dbraw/zinc/82/18/32/1131821832.db2.gz FZWYVVAYVUVZJG-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO Cc1[nH]c2ccc(O[C@H](CC#N)c3ccccc3)cc2[nH+]1 ZINC001228329624 1131858555 /nfs/dbraw/zinc/85/85/55/1131858555.db2.gz PVFDKIKUYOJQJN-QGZVFWFLSA-N 1 2 277.327 3.905 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](C#N)c3cccc(F)c3)cc2[nH+]1 ZINC001228328453 1131859925 /nfs/dbraw/zinc/85/99/25/1131859925.db2.gz FPLMLWSRJLJMMB-INIZCTEOSA-N 1 2 281.290 3.654 20 30 CHEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140755538 1131908167 /nfs/dbraw/zinc/90/81/67/1131908167.db2.gz JLJDRHUYBXNUTQ-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140755538 1131908171 /nfs/dbraw/zinc/90/81/71/1131908171.db2.gz JLJDRHUYBXNUTQ-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1c[nH+]ccc1OC ZINC001171374159 1131929970 /nfs/dbraw/zinc/92/99/70/1131929970.db2.gz OAVWUKDYQWPGNG-ZDUSSCGKSA-N 1 2 284.359 3.828 20 30 CHEDLO C[C@]1(F)CCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807745 1131933030 /nfs/dbraw/zinc/93/30/30/1131933030.db2.gz DKLWMHZPOULABK-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807745 1131933035 /nfs/dbraw/zinc/93/30/35/1131933035.db2.gz DKLWMHZPOULABK-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1C ZINC001140963851 1131975800 /nfs/dbraw/zinc/97/58/00/1131975800.db2.gz JVKHGCJPAUHNIM-UHFFFAOYSA-N 1 2 286.297 3.629 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1C ZINC001140963851 1131975806 /nfs/dbraw/zinc/97/58/06/1131975806.db2.gz JVKHGCJPAUHNIM-UHFFFAOYSA-N 1 2 286.297 3.629 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141001877 1131980765 /nfs/dbraw/zinc/98/07/65/1131980765.db2.gz FJJGCHWAUHBXEC-CYBMUJFWSA-N 1 2 283.400 3.546 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141001877 1131980772 /nfs/dbraw/zinc/98/07/72/1131980772.db2.gz FJJGCHWAUHBXEC-CYBMUJFWSA-N 1 2 283.400 3.546 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171665992 1132072853 /nfs/dbraw/zinc/07/28/53/1132072853.db2.gz RINHUHUTHHKHOM-HNNXBMFYSA-N 1 2 258.409 3.988 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300587 1132152678 /nfs/dbraw/zinc/15/26/78/1132152678.db2.gz XIAWZNXZKCNPPR-ZDUSSCGKSA-N 1 2 268.335 3.776 20 30 CHEDLO C#CCC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000839138620 1132183364 /nfs/dbraw/zinc/18/33/64/1132183364.db2.gz SFFDLKAMLLTYIZ-HNNXBMFYSA-N 1 2 287.794 3.767 20 30 CHEDLO C#CCC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000839138620 1132183370 /nfs/dbraw/zinc/18/33/70/1132183370.db2.gz SFFDLKAMLLTYIZ-HNNXBMFYSA-N 1 2 287.794 3.767 20 30 CHEDLO N#CC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722971 1132239846 /nfs/dbraw/zinc/23/98/46/1132239846.db2.gz MRMOILQTWSVMRA-UHFFFAOYSA-N 1 2 272.351 3.948 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@H](C)CCOCC(C)C ZINC001172463202 1132242517 /nfs/dbraw/zinc/24/25/17/1132242517.db2.gz LBVVRMKJEGOYIM-CYBMUJFWSA-N 1 2 253.361 3.724 20 30 CHEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172654570 1132289874 /nfs/dbraw/zinc/28/98/74/1132289874.db2.gz HZWFCPSQWVBJHA-MRXNPFEDSA-N 1 2 266.429 3.641 20 30 CHEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001231539581 1132314584 /nfs/dbraw/zinc/31/45/84/1132314584.db2.gz MQNNVKITBNUVFX-UHFFFAOYSA-N 1 2 293.341 3.686 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(OC(C)(C)C)cc1 ZINC001231807327 1132367366 /nfs/dbraw/zinc/36/73/66/1132367366.db2.gz ZRPRAIKDOXFYMP-UHFFFAOYSA-N 1 2 260.381 3.599 20 30 CHEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198939 1132409021 /nfs/dbraw/zinc/40/90/21/1132409021.db2.gz MEGMBJVIGYXSIE-PQUAAJSLSA-N 1 2 286.419 3.904 20 30 CHEDLO CC1(C)C[NH+](Cc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 ZINC001232117050 1132426012 /nfs/dbraw/zinc/42/60/12/1132426012.db2.gz ULSHAONPVONGRP-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO CC(C)(C)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674288 1132506031 /nfs/dbraw/zinc/50/60/31/1132506031.db2.gz VKCCYABBSLYKGO-UHFFFAOYSA-N 1 2 272.392 3.522 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001232678977 1132506109 /nfs/dbraw/zinc/50/61/09/1132506109.db2.gz WTTVOURMSRRJGD-UHFFFAOYSA-N 1 2 290.366 3.553 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001232678977 1132506116 /nfs/dbraw/zinc/50/61/16/1132506116.db2.gz WTTVOURMSRRJGD-UHFFFAOYSA-N 1 2 290.366 3.553 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001173685862 1132508445 /nfs/dbraw/zinc/50/84/45/1132508445.db2.gz FSDCLKXVAFVIRZ-HFCFLWKCSA-N 1 2 280.415 3.801 20 30 CHEDLO N#C[C@@H]1CCC[N@H+]1C1CCC2(CCc3ccccc32)CC1 ZINC001173685862 1132508449 /nfs/dbraw/zinc/50/84/49/1132508449.db2.gz FSDCLKXVAFVIRZ-HFCFLWKCSA-N 1 2 280.415 3.801 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(OCC)c(F)c1F ZINC001143276435 1132528798 /nfs/dbraw/zinc/52/87/98/1132528798.db2.gz OHWLCUKFDKQMBJ-UHFFFAOYSA-N 1 2 267.319 3.538 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)cn1 ZINC001232892884 1132538581 /nfs/dbraw/zinc/53/85/81/1132538581.db2.gz HPVZNPGJBTYJMZ-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)cn1 ZINC001232892884 1132538590 /nfs/dbraw/zinc/53/85/90/1132538590.db2.gz HPVZNPGJBTYJMZ-SFHVURJKSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cccc(C[N@H+](Cc2[nH]ccc2C#N)C2CC2)c1C ZINC001233049344 1132568355 /nfs/dbraw/zinc/56/83/55/1132568355.db2.gz MCWSNRQYMPGTTK-UHFFFAOYSA-N 1 2 279.387 3.668 20 30 CHEDLO Cc1cccc(C[N@@H+](Cc2[nH]ccc2C#N)C2CC2)c1C ZINC001233049344 1132568360 /nfs/dbraw/zinc/56/83/60/1132568360.db2.gz MCWSNRQYMPGTTK-UHFFFAOYSA-N 1 2 279.387 3.668 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001233083811 1132572152 /nfs/dbraw/zinc/57/21/52/1132572152.db2.gz CJCPOKSVQXZWAX-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001233083811 1132572156 /nfs/dbraw/zinc/57/21/56/1132572156.db2.gz CJCPOKSVQXZWAX-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CCC(F)(F)C3)c2c1 ZINC001155173052 1132644946 /nfs/dbraw/zinc/64/49/46/1132644946.db2.gz KRVVOFISLMMTAZ-LBPRGKRZSA-N 1 2 287.313 3.954 20 30 CHEDLO Cc1cc(F)cnc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001155845779 1132666383 /nfs/dbraw/zinc/66/63/83/1132666383.db2.gz CICCSKHCOAUXAG-UHFFFAOYSA-N 1 2 297.255 3.585 20 30 CHEDLO CSc1nc(NC(C)(C)c2ccc(C#N)cc2)cc(C)[nH+]1 ZINC001156429226 1132696483 /nfs/dbraw/zinc/69/64/83/1132696483.db2.gz NRIRSHFEAWJTHS-UHFFFAOYSA-N 1 2 298.415 3.726 20 30 CHEDLO C=CCN(c1ccc(Cl)c(N)[nH+]1)C1CCCCC1 ZINC001157852083 1132750652 /nfs/dbraw/zinc/75/06/52/1132750652.db2.gz XJWUPDFUYNQGOR-UHFFFAOYSA-N 1 2 265.788 3.642 20 30 CHEDLO Cc1c[nH+]c(NCCc2coc3ccccc23)c(/C=N/O)c1 ZINC001158661837 1132787335 /nfs/dbraw/zinc/78/73/35/1132787335.db2.gz MLWFROABZQKSNS-KEBDBYFISA-N 1 2 295.342 3.599 20 30 CHEDLO COc1cc(Nc2ccc(Cl)c(C#N)c2)cc(C)[nH+]1 ZINC001174402402 1132815147 /nfs/dbraw/zinc/81/51/47/1132815147.db2.gz GRFNDJXILMGTID-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC001174401461 1132816253 /nfs/dbraw/zinc/81/62/53/1132816253.db2.gz BCCLEWLKIUDBAF-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1cc[nH+]c2[nH]ccc21 ZINC001174411615 1132849225 /nfs/dbraw/zinc/84/92/25/1132849225.db2.gz GATLMBNPARWMHN-UHFFFAOYSA-N 1 2 262.316 3.747 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174524416 1132912891 /nfs/dbraw/zinc/91/28/91/1132912891.db2.gz LAAFLQWUNTVBPQ-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC001160181220 1132943614 /nfs/dbraw/zinc/94/36/14/1132943614.db2.gz MPTXLCPAVJAPGK-AWEZNQCLSA-N 1 2 298.386 3.966 20 30 CHEDLO N#Cc1cccc(Cl)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213031872 1132997877 /nfs/dbraw/zinc/99/78/77/1132997877.db2.gz QJHDNDXPYRPHSO-UHFFFAOYSA-N 1 2 268.707 3.832 20 30 CHEDLO C=CCCSCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001163686563 1133165667 /nfs/dbraw/zinc/16/56/67/1133165667.db2.gz YSABNUUCRUXKNA-UHFFFAOYSA-N 1 2 298.415 3.604 20 30 CHEDLO Cc1nc(N2CCC[C@@H](CC#N)C2)cc(C2CCCCC2)[nH+]1 ZINC001166741641 1133283981 /nfs/dbraw/zinc/28/39/81/1133283981.db2.gz PMPGGKAECCIWCB-HNNXBMFYSA-N 1 2 298.434 3.963 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)s1)CC2 ZINC001204440835 1133447551 /nfs/dbraw/zinc/44/75/51/1133447551.db2.gz OVTNOVIQWLYSDD-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)s1)CC2 ZINC001204440835 1133447554 /nfs/dbraw/zinc/44/75/54/1133447554.db2.gz OVTNOVIQWLYSDD-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC001204971398 1133510046 /nfs/dbraw/zinc/51/00/46/1133510046.db2.gz LOCQKPQADRNGTP-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO N#CCC[N@H+](Cc1cnoc1)C1CCCCCCC1 ZINC001205696925 1133603936 /nfs/dbraw/zinc/60/39/36/1133603936.db2.gz JJBIHTCWPADYKT-UHFFFAOYSA-N 1 2 261.369 3.503 20 30 CHEDLO N#CCC[N@@H+](Cc1cnoc1)C1CCCCCCC1 ZINC001205696925 1133603938 /nfs/dbraw/zinc/60/39/38/1133603938.db2.gz JJBIHTCWPADYKT-UHFFFAOYSA-N 1 2 261.369 3.503 20 30 CHEDLO C=CCC[C@H]([NH2+][C@H](C)CCc1ccsc1)C(=O)OCC ZINC001205842369 1133621498 /nfs/dbraw/zinc/62/14/98/1133621498.db2.gz YQOSAXCLZQHEJG-HIFRSBDPSA-N 1 2 295.448 3.557 20 30 CHEDLO C=C1CCC(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC001205908655 1133630218 /nfs/dbraw/zinc/63/02/18/1133630218.db2.gz XHYYMCIBVIUKKQ-UHFFFAOYSA-N 1 2 287.407 3.875 20 30 CHEDLO CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273271 1133785782 /nfs/dbraw/zinc/78/57/82/1133785782.db2.gz WWWWLDBWRQOIPL-GJZGRUSLSA-N 1 2 291.460 3.643 20 30 CHEDLO CC1=CC[C@@H](CC[N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273271 1133785786 /nfs/dbraw/zinc/78/57/86/1133785786.db2.gz WWWWLDBWRQOIPL-GJZGRUSLSA-N 1 2 291.460 3.643 20 30 CHEDLO N#CCC[N@H+](CCCCc1ccccc1)Cc1cccnc1 ZINC001207608481 1133829943 /nfs/dbraw/zinc/82/99/43/1133829943.db2.gz PVNXBRFCDMLZQV-UHFFFAOYSA-N 1 2 293.414 3.820 20 30 CHEDLO N#CCC[N@@H+](CCCCc1ccccc1)Cc1cccnc1 ZINC001207608481 1133829951 /nfs/dbraw/zinc/82/99/51/1133829951.db2.gz PVNXBRFCDMLZQV-UHFFFAOYSA-N 1 2 293.414 3.820 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[N@H+](C)[C@H](C)C#N)cc1 ZINC001207936214 1133865133 /nfs/dbraw/zinc/86/51/33/1133865133.db2.gz CWVIUIKLSTXXNR-HUUCEWRRSA-N 1 2 258.409 3.832 20 30 CHEDLO CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)[C@H](C)C#N)cc1 ZINC001207936214 1133865139 /nfs/dbraw/zinc/86/51/39/1133865139.db2.gz CWVIUIKLSTXXNR-HUUCEWRRSA-N 1 2 258.409 3.832 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)C#N)cc1 ZINC001207936213 1133866491 /nfs/dbraw/zinc/86/64/91/1133866491.db2.gz CWVIUIKLSTXXNR-GJZGRUSLSA-N 1 2 258.409 3.832 20 30 CHEDLO CC(C)c1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)C#N)cc1 ZINC001207936213 1133866500 /nfs/dbraw/zinc/86/65/00/1133866500.db2.gz CWVIUIKLSTXXNR-GJZGRUSLSA-N 1 2 258.409 3.832 20 30 CHEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(CC)nnc2C1 ZINC001208118761 1133878977 /nfs/dbraw/zinc/87/89/77/1133878977.db2.gz ODUAQUNVZCFYPL-ZHACJKMWSA-N 1 2 290.455 3.573 20 30 CHEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(CC)nnc2C1 ZINC001208118761 1133878985 /nfs/dbraw/zinc/87/89/85/1133878985.db2.gz ODUAQUNVZCFYPL-ZHACJKMWSA-N 1 2 290.455 3.573 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2nccs2)CC1 ZINC001208178552 1133898644 /nfs/dbraw/zinc/89/86/44/1133898644.db2.gz QXJPZORXUANQLO-CQSZACIVSA-N 1 2 262.422 3.878 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2nccs2)CC1 ZINC001208178552 1133898649 /nfs/dbraw/zinc/89/86/49/1133898649.db2.gz QXJPZORXUANQLO-CQSZACIVSA-N 1 2 262.422 3.878 20 30 CHEDLO C#CCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001209268612 1133999883 /nfs/dbraw/zinc/99/98/83/1133999883.db2.gz OQHBPPLJHLOCHB-INIZCTEOSA-N 1 2 277.358 3.600 20 30 CHEDLO C#CCCC[N@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001209268612 1133999887 /nfs/dbraw/zinc/99/98/87/1133999887.db2.gz OQHBPPLJHLOCHB-INIZCTEOSA-N 1 2 277.358 3.600 20 30 CHEDLO Cc1cc(Nc2cccc(CC#N)c2)ccc1[NH+](C)C ZINC001210044365 1134132822 /nfs/dbraw/zinc/13/28/22/1134132822.db2.gz YHHMRAMOQZNVQI-UHFFFAOYSA-N 1 2 265.360 3.871 20 30 CHEDLO Cc1cc(Nc2cc(F)c(F)cc2C#N)ccc1[NH+](C)C ZINC001210045845 1134134834 /nfs/dbraw/zinc/13/48/34/1134134834.db2.gz YXCHCICJHHJBMU-UHFFFAOYSA-N 1 2 287.313 3.955 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001210150834 1134156879 /nfs/dbraw/zinc/15/68/79/1134156879.db2.gz NNDKOCOVLQBQBW-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO CC(C)(C)n1ncc(C#N)c1Nc1cccc2cc[nH+]cc21 ZINC001210222346 1134170243 /nfs/dbraw/zinc/17/02/43/1134170243.db2.gz CMLNMBBIRVDCQI-UHFFFAOYSA-N 1 2 291.358 3.802 20 30 CHEDLO N#Cc1cccc(O)c1Nc1cccc2cc[nH+]cc21 ZINC001210232159 1134174191 /nfs/dbraw/zinc/17/41/91/1134174191.db2.gz MVSLFZYMTHYTNU-UHFFFAOYSA-N 1 2 261.284 3.556 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1N ZINC001210287725 1134185246 /nfs/dbraw/zinc/18/52/46/1134185246.db2.gz BQDFECUXNBNGPX-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO CCCc1cc[nH+]c(Nc2cc(C#N)ccc2C)c1 ZINC001210500795 1134230567 /nfs/dbraw/zinc/23/05/67/1134230567.db2.gz BNSUSLKHGQNNHQ-UHFFFAOYSA-N 1 2 251.333 3.958 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001210554468 1134246546 /nfs/dbraw/zinc/24/65/46/1134246546.db2.gz JLFJVXJNXPODND-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001210554589 1134247098 /nfs/dbraw/zinc/24/70/98/1134247098.db2.gz QYDOMWNOVYALPQ-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C)cc1C#N ZINC001210565056 1134249565 /nfs/dbraw/zinc/24/95/65/1134249565.db2.gz WCJYQTPULGLRCC-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO COc1cc(Nc2ccc(Cl)cc2C#N)cc(C)[nH+]1 ZINC001210780806 1134295827 /nfs/dbraw/zinc/29/58/27/1134295827.db2.gz HLZXFKIZNYPSAO-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)s1 ZINC001213087105 1134424282 /nfs/dbraw/zinc/42/42/82/1134424282.db2.gz IRGDXYWFPUGTCK-UHFFFAOYSA-N 1 2 266.329 3.753 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C#N)c(C#N)c1 ZINC001213499439 1134455023 /nfs/dbraw/zinc/45/50/23/1134455023.db2.gz KAJAJRLAQDNUNO-UHFFFAOYSA-N 1 2 274.327 3.754 20 30 CHEDLO COc1cc(Nc2cc(C3CC3)c[nH+]c2C)ccc1C#N ZINC001213501108 1134456328 /nfs/dbraw/zinc/45/63/28/1134456328.db2.gz IIAREPIAVKGKDI-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO COc1cc(C#N)cc(Nc2cc(C3CC3)c[nH+]c2C)c1 ZINC001213503494 1134456803 /nfs/dbraw/zinc/45/68/03/1134456803.db2.gz JJAVUPKLJBANJO-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(F)c(C#N)c2F)c[nH+]1 ZINC001213515708 1134458911 /nfs/dbraw/zinc/45/89/11/1134458911.db2.gz GARVSKMKIPZLQG-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1c[nH+]cc(Nc2c(F)cc(F)cc2C#N)c1C ZINC001213534121 1134461982 /nfs/dbraw/zinc/46/19/82/1134461982.db2.gz NMTDMCCYIZEWIC-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO COc1ccc(Nc2cccc(C3CC3)[nH+]2)cc1C#N ZINC001214998822 1134592380 /nfs/dbraw/zinc/59/23/80/1134592380.db2.gz JGENZMNJTYSDGJ-UHFFFAOYSA-N 1 2 265.316 3.583 20 30 CHEDLO Cn1c2ccccc2[nH+]c1Nc1cccc(Cl)c1C#N ZINC001216124171 1134785319 /nfs/dbraw/zinc/78/53/19/1134785319.db2.gz NEQHZBVMNFLMBV-UHFFFAOYSA-N 1 2 282.734 3.842 20 30 CHEDLO Cc1c[nH+]c(Nc2cccc(Cl)c2C#N)c(C)c1 ZINC001216126624 1134785844 /nfs/dbraw/zinc/78/58/44/1134785844.db2.gz BIVQYJHGGBAULT-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001216176351 1134795569 /nfs/dbraw/zinc/79/55/69/1134795569.db2.gz MMKFSFJVMJIPOR-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO Cc1c(C#N)cccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001216176543 1134795949 /nfs/dbraw/zinc/79/59/49/1134795949.db2.gz VSCIGJONGLJWQL-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CCc1cc(Nc2cccn3cc(C)[nH+]c23)ccc1C#N ZINC001216315648 1134849449 /nfs/dbraw/zinc/84/94/49/1134849449.db2.gz MQPRDOXOGKWBRV-UHFFFAOYSA-N 1 2 276.343 3.820 20 30 CHEDLO CCc1cc(Nc2ccn3cc[nH+]c3c2)ccc1C#N ZINC001216315178 1134849763 /nfs/dbraw/zinc/84/97/63/1134849763.db2.gz UXCNZVPXRMVNDM-UHFFFAOYSA-N 1 2 262.316 3.512 20 30 CHEDLO N#Cc1cccc(Nc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001216415609 1134887896 /nfs/dbraw/zinc/88/78/96/1134887896.db2.gz NHDDESARPXQZEV-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO C=CC[C@@H](OCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001222138925 1135198601 /nfs/dbraw/zinc/19/86/01/1135198601.db2.gz MFXWDSLKWVEOSQ-OAHLLOKOSA-N 1 2 276.767 3.871 20 30 CHEDLO C=C[C@H](CC(=O)OC(C)(C)C)OCc1cc(C)[nH+]c(C)c1 ZINC001223422195 1135344099 /nfs/dbraw/zinc/34/40/99/1135344099.db2.gz UQSBLQPGXJCWNI-OAHLLOKOSA-N 1 2 291.391 3.501 20 30 CHEDLO Cc1cc(N2CCCC2)ccc1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000334770017 225315643 /nfs/dbraw/zinc/31/56/43/225315643.db2.gz BBKOCXFUSWPKQU-LSDHHAIUSA-N 1 2 269.392 3.699 20 30 CHEDLO C[C@H](c1ccccc1Br)[N@H+](C)CC1(C#N)CC1 ZINC000347456396 226160398 /nfs/dbraw/zinc/16/03/98/226160398.db2.gz FHMPERFJJHZHSM-LLVKDONJSA-N 1 2 293.208 3.746 20 30 CHEDLO C[C@H](c1ccccc1Br)[N@@H+](C)CC1(C#N)CC1 ZINC000347456396 226160402 /nfs/dbraw/zinc/16/04/02/226160402.db2.gz FHMPERFJJHZHSM-LLVKDONJSA-N 1 2 293.208 3.746 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347461939 226162088 /nfs/dbraw/zinc/16/20/88/226162088.db2.gz TVUYKSDHRKXTEL-UHFFFAOYSA-N 1 2 268.747 3.727 20 30 CHEDLO N#Cc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347461939 226162092 /nfs/dbraw/zinc/16/20/92/226162092.db2.gz TVUYKSDHRKXTEL-UHFFFAOYSA-N 1 2 268.747 3.727 20 30 CHEDLO N#CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000336475722 227046876 /nfs/dbraw/zinc/04/68/76/227046876.db2.gz OXQCRMAQLBQZHC-UHFFFAOYSA-N 1 2 286.272 3.580 20 30 CHEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000354886397 227203001 /nfs/dbraw/zinc/20/30/01/227203001.db2.gz VXJSQLLDMLZQMQ-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)cc1 ZINC000354886397 227203004 /nfs/dbraw/zinc/20/30/04/227203004.db2.gz VXJSQLLDMLZQMQ-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCc2ccccc21 ZINC000330024834 228019307 /nfs/dbraw/zinc/01/93/07/228019307.db2.gz KDAQIZOYVLPVNP-QGZVFWFLSA-N 1 2 283.375 3.551 20 30 CHEDLO C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCc2ccccc21 ZINC000330024834 228019309 /nfs/dbraw/zinc/01/93/09/228019309.db2.gz KDAQIZOYVLPVNP-QGZVFWFLSA-N 1 2 283.375 3.551 20 30 CHEDLO N#Cc1csc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000356063122 228106668 /nfs/dbraw/zinc/10/66/68/228106668.db2.gz LYBFZZQOXZGAAH-INIZCTEOSA-N 1 2 295.411 3.667 20 30 CHEDLO N#Cc1csc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000356063122 228106669 /nfs/dbraw/zinc/10/66/69/228106669.db2.gz LYBFZZQOXZGAAH-INIZCTEOSA-N 1 2 295.411 3.667 20 30 CHEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H](c2ccco2)C1 ZINC000336012006 228177931 /nfs/dbraw/zinc/17/79/31/228177931.db2.gz OTNXNJNFMWDNCO-YPMHNXCESA-N 1 2 287.388 3.581 20 30 CHEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H](c2ccco2)C1 ZINC000336012006 228177932 /nfs/dbraw/zinc/17/79/32/228177932.db2.gz OTNXNJNFMWDNCO-YPMHNXCESA-N 1 2 287.388 3.581 20 30 CHEDLO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1noc(C)n1 ZINC000299224908 260175139 /nfs/dbraw/zinc/17/51/39/260175139.db2.gz IVZCMHZBIYXSHL-GFCCVEGCSA-N 1 2 263.385 3.507 20 30 CHEDLO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1noc(C)n1 ZINC000299224908 260175141 /nfs/dbraw/zinc/17/51/41/260175141.db2.gz IVZCMHZBIYXSHL-GFCCVEGCSA-N 1 2 263.385 3.507 20 30 CHEDLO N#CCC[N@H+](CCCCC(F)(F)F)Cc1ccco1 ZINC000154846855 261095108 /nfs/dbraw/zinc/09/51/08/261095108.db2.gz BVEXYZLYTBHXJS-UHFFFAOYSA-N 1 2 274.286 3.728 20 30 CHEDLO N#CCC[N@@H+](CCCCC(F)(F)F)Cc1ccco1 ZINC000154846855 261095107 /nfs/dbraw/zinc/09/51/07/261095107.db2.gz BVEXYZLYTBHXJS-UHFFFAOYSA-N 1 2 274.286 3.728 20 30 CHEDLO C[C@H](C[N@H+](CC#N)C1CCCC1)c1cc(F)cc(F)c1 ZINC000449030658 261112496 /nfs/dbraw/zinc/11/24/96/261112496.db2.gz SDFTWCIDIYFXNO-GFCCVEGCSA-N 1 2 278.346 3.836 20 30 CHEDLO C[C@H](C[N@@H+](CC#N)C1CCCC1)c1cc(F)cc(F)c1 ZINC000449030658 261112497 /nfs/dbraw/zinc/11/24/97/261112497.db2.gz SDFTWCIDIYFXNO-GFCCVEGCSA-N 1 2 278.346 3.836 20 30 CHEDLO Cc1ccc(F)c(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162253297 261274927 /nfs/dbraw/zinc/27/49/27/261274927.db2.gz VBZLSESZJBJEKK-UHFFFAOYSA-N 1 2 299.349 3.824 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(NCC(C)(C)CCC#N)c1 ZINC000119959416 262107145 /nfs/dbraw/zinc/10/71/45/262107145.db2.gz GJCZSKMRURWNJQ-UHFFFAOYSA-N 1 2 282.391 3.829 20 30 CHEDLO C[C@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1cccnc1 ZINC000186802785 262110383 /nfs/dbraw/zinc/11/03/83/262110383.db2.gz VQTHICIFDOBMHH-QGZVFWFLSA-N 1 2 293.414 3.676 20 30 CHEDLO C[C@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000186802785 262110386 /nfs/dbraw/zinc/11/03/86/262110386.db2.gz VQTHICIFDOBMHH-QGZVFWFLSA-N 1 2 293.414 3.676 20 30 CHEDLO CCOC(C)(C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000186944721 262117489 /nfs/dbraw/zinc/11/74/89/262117489.db2.gz DKKAPNRPGOOFHD-WOJGMQOQSA-N 1 2 271.360 3.779 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(Cl)cs1)CC1CC1 ZINC000194379934 262236767 /nfs/dbraw/zinc/23/67/67/262236767.db2.gz WERMXERDJWUHAC-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO N#CCC[N@H+](Cc1cc(Cl)cs1)CC1CC1 ZINC000194379934 262236768 /nfs/dbraw/zinc/23/67/68/262236768.db2.gz WERMXERDJWUHAC-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2s1 ZINC000120799681 262243328 /nfs/dbraw/zinc/24/33/28/262243328.db2.gz QCSPPAVTDMQNSY-UHFFFAOYSA-N 1 2 299.424 3.861 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2s1 ZINC000120799681 262243331 /nfs/dbraw/zinc/24/33/31/262243331.db2.gz QCSPPAVTDMQNSY-UHFFFAOYSA-N 1 2 299.424 3.861 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000274299626 263022938 /nfs/dbraw/zinc/02/29/38/263022938.db2.gz JCNRYPJLFYLTCA-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1Cl ZINC000275373641 263033250 /nfs/dbraw/zinc/03/32/50/263033250.db2.gz LFUIWIBCSQGMPQ-LBPRGKRZSA-N 1 2 280.799 3.719 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1Cl ZINC000275373641 263033251 /nfs/dbraw/zinc/03/32/51/263033251.db2.gz LFUIWIBCSQGMPQ-LBPRGKRZSA-N 1 2 280.799 3.719 20 30 CHEDLO CCCCc1[nH]c2ccc(NC(=O)CC(C)(C)C#N)cc2[nH+]1 ZINC000278288234 263046473 /nfs/dbraw/zinc/04/64/73/263046473.db2.gz RARQWOTUZHXIII-UHFFFAOYSA-N 1 2 298.390 3.784 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280625905 263063295 /nfs/dbraw/zinc/06/32/95/263063295.db2.gz BZVATULDEQJXIB-HNNXBMFYSA-N 1 2 294.402 3.583 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280625905 263063296 /nfs/dbraw/zinc/06/32/96/263063296.db2.gz BZVATULDEQJXIB-HNNXBMFYSA-N 1 2 294.402 3.583 20 30 CHEDLO Cc1cc2[nH+]cn(CCCC3(C#N)CCOCC3)c2cc1C ZINC000281268670 263067843 /nfs/dbraw/zinc/06/78/43/263067843.db2.gz HWVWVXDFKYJKNY-UHFFFAOYSA-N 1 2 297.402 3.754 20 30 CHEDLO CCCCc1[nH]c2ccc(NC(=O)[C@](C)(C#N)CC)cc2[nH+]1 ZINC000285194251 263091265 /nfs/dbraw/zinc/09/12/65/263091265.db2.gz SAXZXHYLSCQBIE-KRWDZBQOSA-N 1 2 298.390 3.784 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000292711762 263133965 /nfs/dbraw/zinc/13/39/65/263133965.db2.gz FCTTZKKHSCKQRM-UHFFFAOYSA-N 1 2 271.408 3.639 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000292711762 263133966 /nfs/dbraw/zinc/13/39/66/263133966.db2.gz FCTTZKKHSCKQRM-UHFFFAOYSA-N 1 2 271.408 3.639 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763020 263181853 /nfs/dbraw/zinc/18/18/53/263181853.db2.gz RTYYHMIANWWXKU-GXFFZTMASA-N 1 2 278.758 3.529 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c(Cl)cc(F)cc3C2)C1 ZINC000295763020 263181855 /nfs/dbraw/zinc/18/18/55/263181855.db2.gz RTYYHMIANWWXKU-GXFFZTMASA-N 1 2 278.758 3.529 20 30 CHEDLO N#CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000425998711 264304266 /nfs/dbraw/zinc/30/42/66/264304266.db2.gz AEEGNOKAWUMWNS-UHFFFAOYSA-N 1 2 294.276 3.969 20 30 CHEDLO C=CCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351598547 265906825 /nfs/dbraw/zinc/90/68/25/265906825.db2.gz IWRRBXWCAJOHQE-UHFFFAOYSA-N 1 2 268.316 3.779 20 30 CHEDLO C=C1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000356235114 266078870 /nfs/dbraw/zinc/07/88/70/266078870.db2.gz VIODFHIDGIUBCZ-UHFFFAOYSA-N 1 2 271.282 3.563 20 30 CHEDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356406489 266108454 /nfs/dbraw/zinc/10/84/54/266108454.db2.gz MPEWVGMWSCNQKM-MDWZMJQESA-N 1 2 283.400 3.550 20 30 CHEDLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356406489 266108458 /nfs/dbraw/zinc/10/84/58/266108458.db2.gz MPEWVGMWSCNQKM-MDWZMJQESA-N 1 2 283.400 3.550 20 30 CHEDLO C=C[C@H]1CCCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000362843630 267053855 /nfs/dbraw/zinc/05/38/55/267053855.db2.gz QRPJCQWZUSZWAL-AWEZNQCLSA-N 1 2 256.324 3.919 20 30 CHEDLO Cc1cccc2[nH+]c(CNc3ccc(C#N)cc3Cl)cn21 ZINC000362878014 267056607 /nfs/dbraw/zinc/05/66/07/267056607.db2.gz VHWMKRWCJQVMJB-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC000369804860 267267972 /nfs/dbraw/zinc/26/79/72/267267972.db2.gz YCWKFAHZWNMBHX-ZIAGYGMSSA-N 1 2 282.309 3.711 20 30 CHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000369804860 267267975 /nfs/dbraw/zinc/26/79/75/267267975.db2.gz YCWKFAHZWNMBHX-ZIAGYGMSSA-N 1 2 282.309 3.711 20 30 CHEDLO COc1ccc2[nH]cc(C3CC[NH+](C(C)(C)C#N)CC3)c2c1 ZINC000160686217 327971796 /nfs/dbraw/zinc/97/17/96/327971796.db2.gz LKBOWPILFNZYMD-UHFFFAOYSA-N 1 2 297.402 3.658 20 30 CHEDLO CC(C)(C#N)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000339390304 328009006 /nfs/dbraw/zinc/00/90/06/328009006.db2.gz AMSNMXDOKWWURB-UHFFFAOYSA-N 1 2 295.342 3.752 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCc2ccsc2C1 ZINC000534864242 328365987 /nfs/dbraw/zinc/36/59/87/328365987.db2.gz ZCPXAXWBODYIHM-UHFFFAOYSA-N 1 2 287.815 3.811 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCc2ccsc2C1 ZINC000534864242 328365988 /nfs/dbraw/zinc/36/59/88/328365988.db2.gz ZCPXAXWBODYIHM-UHFFFAOYSA-N 1 2 287.815 3.811 20 30 CHEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000343318757 328531589 /nfs/dbraw/zinc/53/15/89/328531589.db2.gz KPFQZEYVLMLXQN-GFCCVEGCSA-N 1 2 286.379 3.509 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc(C)cs1 ZINC000088603233 327164733 /nfs/dbraw/zinc/16/47/33/327164733.db2.gz QRJFZXCRUTYJDI-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc(C)cs1 ZINC000088603233 327164735 /nfs/dbraw/zinc/16/47/35/327164735.db2.gz QRJFZXCRUTYJDI-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO CC(C)(C#N)CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000560169825 327288377 /nfs/dbraw/zinc/28/83/77/327288377.db2.gz AHHPGFQEFZWHAQ-INIZCTEOSA-N 1 2 296.336 3.775 20 30 CHEDLO CC(C)(C#N)CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000560169825 327288379 /nfs/dbraw/zinc/28/83/79/327288379.db2.gz AHHPGFQEFZWHAQ-INIZCTEOSA-N 1 2 296.336 3.775 20 30 CHEDLO N#CCC[N@@H+](CCCc1cccc(F)c1)Cc1ccco1 ZINC000182822532 329242265 /nfs/dbraw/zinc/24/22/65/329242265.db2.gz IRGNPCQKHQPNSC-UHFFFAOYSA-N 1 2 286.350 3.767 20 30 CHEDLO N#CCC[N@H+](CCCc1cccc(F)c1)Cc1ccco1 ZINC000182822532 329242267 /nfs/dbraw/zinc/24/22/67/329242267.db2.gz IRGNPCQKHQPNSC-UHFFFAOYSA-N 1 2 286.350 3.767 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000227354325 329272220 /nfs/dbraw/zinc/27/22/20/329272220.db2.gz AGYRLRFPCZMXJH-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c2cccc(F)c2[nH+]1 ZINC000425277501 329652848 /nfs/dbraw/zinc/65/28/48/329652848.db2.gz XLACWRBHTAWTQC-NWDGAFQWSA-N 1 2 269.323 3.787 20 30 CHEDLO C=CC[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421579982 329843570 /nfs/dbraw/zinc/84/35/70/329843570.db2.gz VHAUOWYDHDYQGN-SFHVURJKSA-N 1 2 294.398 3.675 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1nnc(C)s1)c1ccc(F)c(F)c1 ZINC000274840043 330107974 /nfs/dbraw/zinc/10/79/74/330107974.db2.gz CNUQOBRXLUEFNS-CQSZACIVSA-N 1 2 295.358 3.532 20 30 CHEDLO CCSCc1cc[nH+]c(NCc2cc(C#N)cs2)c1 ZINC000090228469 330391559 /nfs/dbraw/zinc/39/15/59/330391559.db2.gz AICHIHHSVQEEEL-UHFFFAOYSA-N 1 2 289.429 3.880 20 30 CHEDLO CCOc1c(Cl)cccc1C[NH2+][C@@H](CC)CC#N ZINC000426143033 330500245 /nfs/dbraw/zinc/50/02/45/330500245.db2.gz LAZGQLNVGMVRNJ-LBPRGKRZSA-N 1 2 266.772 3.521 20 30 CHEDLO C=CCC[C@@H](CC)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000446795343 330854185 /nfs/dbraw/zinc/85/41/85/330854185.db2.gz GXOJKNBRGZQOPB-HZPDHXFCSA-N 1 2 275.392 3.625 20 30 CHEDLO C=CCC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000449739220 330947540 /nfs/dbraw/zinc/94/75/40/330947540.db2.gz JIDWNIVMMFGDHG-UHFFFAOYSA-N 1 2 295.386 3.947 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1Cl ZINC000450674807 330992749 /nfs/dbraw/zinc/99/27/49/330992749.db2.gz SWYJXMORLNRSEC-JTQLQIEISA-N 1 2 266.747 3.824 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cc(Br)ccc1C ZINC000451055658 331013770 /nfs/dbraw/zinc/01/37/70/331013770.db2.gz FGAKBMGDNLDEAY-UHFFFAOYSA-N 1 2 293.208 3.659 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cc(Br)ccc1C ZINC000451055658 331013771 /nfs/dbraw/zinc/01/37/71/331013771.db2.gz FGAKBMGDNLDEAY-UHFFFAOYSA-N 1 2 293.208 3.659 20 30 CHEDLO C=CC[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452334544 331062664 /nfs/dbraw/zinc/06/26/64/331062664.db2.gz NIHUAUIEXMHOHQ-OAHLLOKOSA-N 1 2 295.386 3.518 20 30 CHEDLO CC(C)(CC#N)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000459660081 331292762 /nfs/dbraw/zinc/29/27/62/331292762.db2.gz ASPACPAGXGHGKR-AWEZNQCLSA-N 1 2 280.362 3.782 20 30 CHEDLO C=CCN(Cc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000472605621 331539990 /nfs/dbraw/zinc/53/99/90/331539990.db2.gz JGHUPQMGXXZHRT-UHFFFAOYSA-N 1 2 293.414 3.874 20 30 CHEDLO C=CC[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000489011392 332037450 /nfs/dbraw/zinc/03/74/50/332037450.db2.gz LZHJIXJCHOMPSX-HNNXBMFYSA-N 1 2 291.354 3.633 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(cccc2F)n1CC ZINC000489428041 332051615 /nfs/dbraw/zinc/05/16/15/332051615.db2.gz DKYXLYLNVDWUEL-CYBMUJFWSA-N 1 2 287.382 3.736 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(cccc2F)n1CC ZINC000489428041 332051616 /nfs/dbraw/zinc/05/16/16/332051616.db2.gz DKYXLYLNVDWUEL-CYBMUJFWSA-N 1 2 287.382 3.736 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(Cl)cc1 ZINC000491427213 332209609 /nfs/dbraw/zinc/20/96/09/332209609.db2.gz JLCILPHKUOANHS-MRXNPFEDSA-N 1 2 287.794 3.582 20 30 CHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861559 332416420 /nfs/dbraw/zinc/41/64/20/332416420.db2.gz JVLXVXCHRDJHTA-MDZDMXLPSA-N 1 2 295.386 3.914 20 30 CHEDLO C=CCCC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000504850899 332722370 /nfs/dbraw/zinc/72/23/70/332722370.db2.gz FUDGQDWFXQBOMH-AWEZNQCLSA-N 1 2 287.407 3.674 20 30 CHEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N ZINC000177264218 333056353 /nfs/dbraw/zinc/05/63/53/333056353.db2.gz HLPSMGSVIVKDSB-CYBMUJFWSA-N 1 2 294.320 3.538 20 30 CHEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N ZINC000177264218 333056355 /nfs/dbraw/zinc/05/63/55/333056355.db2.gz HLPSMGSVIVKDSB-CYBMUJFWSA-N 1 2 294.320 3.538 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000186102974 333154899 /nfs/dbraw/zinc/15/48/99/333154899.db2.gz LNOZDYHJFQJMTC-GFCCVEGCSA-N 1 2 297.402 3.992 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529544988 333496105 /nfs/dbraw/zinc/49/61/05/333496105.db2.gz YETSEQOESMTQQU-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000547285600 334076139 /nfs/dbraw/zinc/07/61/39/334076139.db2.gz UJFLYFWJMQRXMP-CYBMUJFWSA-N 1 2 277.437 3.973 20 30 CHEDLO C=CCC[C@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000547959194 334131457 /nfs/dbraw/zinc/13/14/57/334131457.db2.gz DVDIJERSZLSINB-KRWDZBQOSA-N 1 2 294.398 3.809 20 30 CHEDLO CC(C)OC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000548158152 334143742 /nfs/dbraw/zinc/14/37/42/334143742.db2.gz REHUACITWCUVOC-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C=CCC(C)(C)c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000551497432 334251722 /nfs/dbraw/zinc/25/17/22/334251722.db2.gz YQCNDUTYLSOHGF-AWEZNQCLSA-N 1 2 285.391 3.574 20 30 CHEDLO CCCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000248878342 334320341 /nfs/dbraw/zinc/32/03/41/334320341.db2.gz RJJMPZPHUMRPKY-ILXRZTDVSA-N 1 2 294.439 3.559 20 30 CHEDLO N#CCCC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000564917178 334528208 /nfs/dbraw/zinc/52/82/08/334528208.db2.gz YONILOLJRJEUPU-UHFFFAOYSA-N 1 2 298.217 3.904 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000345889596 335340279 /nfs/dbraw/zinc/34/02/79/335340279.db2.gz KOQLVONBBGCGJG-UHFFFAOYSA-N 1 2 280.346 3.862 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000345889596 335340280 /nfs/dbraw/zinc/34/02/80/335340280.db2.gz KOQLVONBBGCGJG-UHFFFAOYSA-N 1 2 280.346 3.862 20 30 CHEDLO Cc1ccc2[nH]c(C[N@@H+](C)[C@@H](C)CC#N)cc2c1C ZINC000352001586 534352638 /nfs/dbraw/zinc/35/26/38/534352638.db2.gz GOIGDEOJWANXOP-LBPRGKRZSA-N 1 2 255.365 3.519 20 30 CHEDLO Cc1ccc2[nH]c(C[N@H+](C)[C@@H](C)CC#N)cc2c1C ZINC000352001586 534352648 /nfs/dbraw/zinc/35/26/48/534352648.db2.gz GOIGDEOJWANXOP-LBPRGKRZSA-N 1 2 255.365 3.519 20 30 CHEDLO Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(C)[nH+]c1C)O2 ZINC000330017981 534411836 /nfs/dbraw/zinc/41/18/36/534411836.db2.gz SBPYGEYUCXQAHR-KRWDZBQOSA-N 1 2 296.370 3.989 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347465436 534806120 /nfs/dbraw/zinc/80/61/20/534806120.db2.gz OKSSYQUXQDMZHM-UHFFFAOYSA-N 1 2 268.747 3.727 20 30 CHEDLO N#Cc1cccc(C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347465436 534806124 /nfs/dbraw/zinc/80/61/24/534806124.db2.gz OKSSYQUXQDMZHM-UHFFFAOYSA-N 1 2 268.747 3.727 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000130662328 525161867 /nfs/dbraw/zinc/16/18/67/525161867.db2.gz ILHHELOYWYYLLD-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000130662328 525161871 /nfs/dbraw/zinc/16/18/71/525161871.db2.gz ILHHELOYWYYLLD-DYVFJYSZSA-N 1 2 298.411 3.582 20 30 CHEDLO C=CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347719523 526456436 /nfs/dbraw/zinc/45/64/36/526456436.db2.gz NFYRVWXHBWWTCZ-CYBMUJFWSA-N 1 2 261.756 3.539 20 30 CHEDLO C=CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347719523 526456441 /nfs/dbraw/zinc/45/64/41/526456441.db2.gz NFYRVWXHBWWTCZ-CYBMUJFWSA-N 1 2 261.756 3.539 20 30 CHEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000340687555 526844532 /nfs/dbraw/zinc/84/45/32/526844532.db2.gz UJMNKDHIZXIWLJ-NSHDSACASA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000340687555 526844538 /nfs/dbraw/zinc/84/45/38/526844538.db2.gz UJMNKDHIZXIWLJ-NSHDSACASA-N 1 2 271.389 3.516 20 30 CHEDLO CC1=C[C@H](C)C[C@@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356061172 528142782 /nfs/dbraw/zinc/14/27/82/528142782.db2.gz JZPVGOWDTDNKOU-GOEBONIOSA-N 1 2 272.392 3.988 20 30 CHEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356061172 528142788 /nfs/dbraw/zinc/14/27/88/528142788.db2.gz JZPVGOWDTDNKOU-GOEBONIOSA-N 1 2 272.392 3.988 20 30 CHEDLO CCN(CC)c1ccc(NCc2ccc(C#N)cc2F)c[nH+]1 ZINC000344850140 528313167 /nfs/dbraw/zinc/31/31/67/528313167.db2.gz IGYVWQLRWUECJW-UHFFFAOYSA-N 1 2 298.365 3.551 20 30 CHEDLO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCC#N ZINC000113256734 528644353 /nfs/dbraw/zinc/64/43/53/528644353.db2.gz WMBXTPQSFWNSRD-AWEZNQCLSA-N 1 2 250.773 3.883 20 30 CHEDLO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCC#N ZINC000113256734 528644356 /nfs/dbraw/zinc/64/43/56/528644356.db2.gz WMBXTPQSFWNSRD-AWEZNQCLSA-N 1 2 250.773 3.883 20 30 CHEDLO C=CCCCCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209438792 1118057745 /nfs/dbraw/zinc/05/77/45/1118057745.db2.gz VSQNDMLPZRYFBX-AWEZNQCLSA-N 1 2 255.377 3.516 20 30 CHEDLO C=CCCCCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209438792 1118057751 /nfs/dbraw/zinc/05/77/51/1118057751.db2.gz VSQNDMLPZRYFBX-AWEZNQCLSA-N 1 2 255.377 3.516 20 30 CHEDLO C=CC[C@@H]1CC[N@H+]1Cc1nccc(Cl)c1Cl ZINC001176813992 1121695348 /nfs/dbraw/zinc/69/53/48/1121695348.db2.gz IWMNLRMFDOKHCR-SECBINFHSA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nccc(Cl)c1Cl ZINC001176813992 1121695350 /nfs/dbraw/zinc/69/53/50/1121695350.db2.gz IWMNLRMFDOKHCR-SECBINFHSA-N 1 2 257.164 3.539 20 30 CHEDLO C=C(Br)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730663154 1121819843 /nfs/dbraw/zinc/81/98/43/1121819843.db2.gz ABTFNDYNCZOTAZ-NSHDSACASA-N 1 2 284.172 3.524 20 30 CHEDLO C=C(Br)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730663154 1121819855 /nfs/dbraw/zinc/81/98/55/1121819855.db2.gz ABTFNDYNCZOTAZ-NSHDSACASA-N 1 2 284.172 3.524 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC001140794559 1131921794 /nfs/dbraw/zinc/92/17/94/1131921794.db2.gz PQAFDICGWBDESC-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC001140794559 1131921803 /nfs/dbraw/zinc/92/18/03/1131921803.db2.gz PQAFDICGWBDESC-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CCCCCCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001172502755 1132250959 /nfs/dbraw/zinc/25/09/59/1132250959.db2.gz LWKVXUNXACSHRU-KBPBESRZSA-N 1 2 289.485 3.577 20 30 CHEDLO C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C)CCC#N ZINC001172879275 1132357013 /nfs/dbraw/zinc/35/70/13/1132357013.db2.gz XZSOQONHSLOYEV-NSHDSACASA-N 1 2 268.813 3.666 20 30 CHEDLO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)CCC#N ZINC001172879275 1132357021 /nfs/dbraw/zinc/35/70/21/1132357021.db2.gz XZSOQONHSLOYEV-NSHDSACASA-N 1 2 268.813 3.666 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cccc(C)c1OC(C)C ZINC001232390674 1132463878 /nfs/dbraw/zinc/46/38/78/1132463878.db2.gz DDJLWMFXJDLSSV-UHFFFAOYSA-N 1 2 274.408 3.908 20 30 CHEDLO CCCC[N@@H+](CC#N)CCCCCCCCCC(=O)OC ZINC001209097422 1133974699 /nfs/dbraw/zinc/97/46/99/1133974699.db2.gz FEFGLCUMCOEASS-UHFFFAOYSA-N 1 2 296.455 3.906 20 30 CHEDLO CCCC[N@H+](CC#N)CCCCCCCCCC(=O)OC ZINC001209097422 1133974701 /nfs/dbraw/zinc/97/47/01/1133974701.db2.gz FEFGLCUMCOEASS-UHFFFAOYSA-N 1 2 296.455 3.906 20 30 CHEDLO CSc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1C#N ZINC000886687866 1125709070 /nfs/dbraw/zinc/70/90/70/1125709070.db2.gz GOBBQFDULCLJLZ-JTQLQIEISA-N 1 2 289.429 3.587 20 30 CHEDLO Cc1cc(C)cc(C2=CC[N@H+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000092427248 1125757766 /nfs/dbraw/zinc/75/77/66/1125757766.db2.gz SRLFKYZKVOIFLA-KRWDZBQOSA-N 1 2 293.414 3.836 20 30 CHEDLO Cc1cc(C)cc(C2=CC[N@@H+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000092427248 1125757772 /nfs/dbraw/zinc/75/77/72/1125757772.db2.gz SRLFKYZKVOIFLA-KRWDZBQOSA-N 1 2 293.414 3.836 20 30 CHEDLO CCCC[N@H+](CC#N)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258408747 1129325269 /nfs/dbraw/zinc/32/52/69/1129325269.db2.gz MVHOKPXFTHHYNW-HNNXBMFYSA-N 1 2 274.408 3.642 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258408747 1129325274 /nfs/dbraw/zinc/32/52/74/1129325274.db2.gz MVHOKPXFTHHYNW-HNNXBMFYSA-N 1 2 274.408 3.642 20 30 CHEDLO C=C(Br)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000736946895 1129382858 /nfs/dbraw/zinc/38/28/58/1129382858.db2.gz VURPVSAKZZDMRA-UHFFFAOYSA-N 1 2 298.199 3.914 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCCC(F)(F)C1 ZINC000338313505 1126734144 /nfs/dbraw/zinc/73/41/44/1126734144.db2.gz KQMXLXKOSPNJNR-ZDUSSCGKSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCCC(F)(F)C1 ZINC000338313505 1126734147 /nfs/dbraw/zinc/73/41/47/1126734147.db2.gz KQMXLXKOSPNJNR-ZDUSSCGKSA-N 1 2 282.334 3.821 20 30 CHEDLO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1C ZINC000159754381 1126752018 /nfs/dbraw/zinc/75/20/18/1126752018.db2.gz HNDNMFQTMWBEAK-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1C ZINC000159754381 1126752021 /nfs/dbraw/zinc/75/20/21/1126752021.db2.gz HNDNMFQTMWBEAK-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483285419 1126778296 /nfs/dbraw/zinc/77/82/96/1126778296.db2.gz YKUMFTZSRGWEIJ-NSHDSACASA-N 1 2 290.313 3.816 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483285419 1126778299 /nfs/dbraw/zinc/77/82/99/1126778299.db2.gz YKUMFTZSRGWEIJ-NSHDSACASA-N 1 2 290.313 3.816 20 30 CHEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000178389059 1126812130 /nfs/dbraw/zinc/81/21/30/1126812130.db2.gz KBDOAHYNOLLRAK-INIZCTEOSA-N 1 2 279.387 3.601 20 30 CHEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000178389059 1126812131 /nfs/dbraw/zinc/81/21/31/1126812131.db2.gz KBDOAHYNOLLRAK-INIZCTEOSA-N 1 2 279.387 3.601 20 30 CHEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cs1 ZINC000184680095 1126896568 /nfs/dbraw/zinc/89/65/68/1126896568.db2.gz CJEMWMKCOBDRMU-GFCCVEGCSA-N 1 2 288.391 3.547 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@H]2CCCc3ccccc32)c1O ZINC000912961566 1127117245 /nfs/dbraw/zinc/11/72/45/1127117245.db2.gz BRZVOUJMFCAPRS-CTFRJJSNSA-N 1 2 295.382 3.940 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170907 1127117373 /nfs/dbraw/zinc/11/73/73/1127117373.db2.gz JJHSSOQRWXUHEE-RLCCDNCMSA-N 1 2 294.320 3.528 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170907 1127117375 /nfs/dbraw/zinc/11/73/75/1127117375.db2.gz JJHSSOQRWXUHEE-RLCCDNCMSA-N 1 2 294.320 3.528 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594066 1131109410 /nfs/dbraw/zinc/10/94/10/1131109410.db2.gz OEPNYLZDLWQEGQ-LLVKDONJSA-N 1 2 269.747 3.725 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594066 1131109413 /nfs/dbraw/zinc/10/94/13/1131109413.db2.gz OEPNYLZDLWQEGQ-LLVKDONJSA-N 1 2 269.747 3.725 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530020 1131111135 /nfs/dbraw/zinc/11/11/35/1131111135.db2.gz LQZSTBIGCSJXGH-LBPRGKRZSA-N 1 2 298.336 3.783 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530020 1131111138 /nfs/dbraw/zinc/11/11/38/1131111138.db2.gz LQZSTBIGCSJXGH-LBPRGKRZSA-N 1 2 298.336 3.783 20 30 CHEDLO Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001237700277 1131129256 /nfs/dbraw/zinc/12/92/56/1131129256.db2.gz BQAJHLURAWGKHK-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001237700277 1131129257 /nfs/dbraw/zinc/12/92/57/1131129257.db2.gz BQAJHLURAWGKHK-HNNXBMFYSA-N 1 2 262.784 3.692 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166114 1127250099 /nfs/dbraw/zinc/25/00/99/1127250099.db2.gz PWUQHWWSYCTKBL-WCQYABFASA-N 1 2 299.805 3.872 20 30 CHEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000590166114 1127250100 /nfs/dbraw/zinc/25/01/00/1127250100.db2.gz PWUQHWWSYCTKBL-WCQYABFASA-N 1 2 299.805 3.872 20 30 CHEDLO N#Cc1cccc(C2([NH2+]Cc3cccc(O)c3Cl)CC2)c1 ZINC000590186395 1127250794 /nfs/dbraw/zinc/25/07/94/1127250794.db2.gz HCJQGFGCHDCBAJ-UHFFFAOYSA-N 1 2 298.773 3.696 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000590648764 1127267065 /nfs/dbraw/zinc/26/70/65/1127267065.db2.gz DCYMKQFUESGLIN-HNNXBMFYSA-N 1 2 289.766 3.607 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000590648764 1127267066 /nfs/dbraw/zinc/26/70/66/1127267066.db2.gz DCYMKQFUESGLIN-HNNXBMFYSA-N 1 2 289.766 3.607 20 30 CHEDLO CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccncc1C#N ZINC000592061506 1127332679 /nfs/dbraw/zinc/33/26/79/1127332679.db2.gz LJPISDFOWNMQRL-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1cccc(F)c1)Cc1ccncc1C#N ZINC000592061506 1127332681 /nfs/dbraw/zinc/33/26/81/1127332681.db2.gz LJPISDFOWNMQRL-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO C[C@H]1CC[N@H+](Cc2ccncc2C#N)[C@@H](c2ccco2)C1 ZINC000592071403 1127334388 /nfs/dbraw/zinc/33/43/88/1127334388.db2.gz DSTCYBQXGXFXOL-XJKSGUPXSA-N 1 2 281.359 3.519 20 30 CHEDLO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H](c2ccco2)C1 ZINC000592071403 1127334390 /nfs/dbraw/zinc/33/43/90/1127334390.db2.gz DSTCYBQXGXFXOL-XJKSGUPXSA-N 1 2 281.359 3.519 20 30 CHEDLO N#CC1(C[NH2+]Cc2cscc2Cl)CCCC1 ZINC000593653064 1127393005 /nfs/dbraw/zinc/39/30/05/1127393005.db2.gz ZXHLRCWWVATLSY-UHFFFAOYSA-N 1 2 254.786 3.575 20 30 CHEDLO CCCOc1ccc(CNc2cc(CC#N)cc[nH+]2)c(C)c1 ZINC000594735451 1127430343 /nfs/dbraw/zinc/43/03/43/1127430343.db2.gz QWHMQDJPGVFLJL-UHFFFAOYSA-N 1 2 295.386 3.857 20 30 CHEDLO CC(C)(C)C(F)(F)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595110221 1127452996 /nfs/dbraw/zinc/45/29/96/1127452996.db2.gz YUCNCSFCEVQVDT-CQSZACIVSA-N 1 2 278.346 3.817 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1nc2ccccc2n1C ZINC000595090983 1127454916 /nfs/dbraw/zinc/45/49/16/1127454916.db2.gz LLHATJMXQUEVBN-CQSZACIVSA-N 1 2 296.418 3.698 20 30 CHEDLO CC[C@@H](CC(F)F)C[N@H+](CCC#N)Cc1ccco1 ZINC000595332264 1127458564 /nfs/dbraw/zinc/45/85/64/1127458564.db2.gz IHVSFKVMYVARNE-LBPRGKRZSA-N 1 2 270.323 3.677 20 30 CHEDLO CC[C@@H](CC(F)F)C[N@@H+](CCC#N)Cc1ccco1 ZINC000595332264 1127458567 /nfs/dbraw/zinc/45/85/67/1127458567.db2.gz IHVSFKVMYVARNE-LBPRGKRZSA-N 1 2 270.323 3.677 20 30 CHEDLO CC(C)[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1F ZINC000595694917 1127473105 /nfs/dbraw/zinc/47/31/05/1127473105.db2.gz WPRLVVMXKJRAFC-KRWDZBQOSA-N 1 2 283.350 3.579 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CCSC1CCCCC1)C2 ZINC000593126486 1127480003 /nfs/dbraw/zinc/48/00/03/1127480003.db2.gz KEJMXOHRWKWSTF-UHFFFAOYSA-N 1 2 286.444 3.940 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CCSC1CCCCC1)C2 ZINC000593126486 1127480004 /nfs/dbraw/zinc/48/00/04/1127480004.db2.gz KEJMXOHRWKWSTF-UHFFFAOYSA-N 1 2 286.444 3.940 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000595840661 1127477343 /nfs/dbraw/zinc/47/73/43/1127477343.db2.gz RGIKOYKDAUJZDP-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000595840661 1127477344 /nfs/dbraw/zinc/47/73/44/1127477344.db2.gz RGIKOYKDAUJZDP-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000595843835 1127478164 /nfs/dbraw/zinc/47/81/64/1127478164.db2.gz NUHODLKQFJZBFC-LSDHHAIUSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000595843835 1127478166 /nfs/dbraw/zinc/47/81/66/1127478166.db2.gz NUHODLKQFJZBFC-LSDHHAIUSA-N 1 2 260.768 3.563 20 30 CHEDLO COc1ccc2[nH+]c(C)cc(OCC3(CC#N)CC3)c2c1 ZINC000596236713 1127486360 /nfs/dbraw/zinc/48/63/60/1127486360.db2.gz LTPWTKLUKMSCCO-UHFFFAOYSA-N 1 2 282.343 3.625 20 30 CHEDLO Cc1[nH]c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2[nH+]1 ZINC000596696025 1127515900 /nfs/dbraw/zinc/51/59/00/1127515900.db2.gz YCXQRVCHBUZYIE-UHFFFAOYSA-N 1 2 296.374 3.674 20 30 CHEDLO N#CCC[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000361075481 1127535969 /nfs/dbraw/zinc/53/59/69/1127535969.db2.gz YZIFWOVMEBFACL-MYSGNRETSA-N 1 2 260.406 3.920 20 30 CHEDLO N#CCC[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000361075481 1127535971 /nfs/dbraw/zinc/53/59/71/1127535971.db2.gz YZIFWOVMEBFACL-MYSGNRETSA-N 1 2 260.406 3.920 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361564179 1127572977 /nfs/dbraw/zinc/57/29/77/1127572977.db2.gz MNLYFFSATGPURC-NSHDSACASA-N 1 2 290.313 3.959 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000361564179 1127572979 /nfs/dbraw/zinc/57/29/79/1127572979.db2.gz MNLYFFSATGPURC-NSHDSACASA-N 1 2 290.313 3.959 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C)ns1 ZINC000602466463 1127583152 /nfs/dbraw/zinc/58/31/52/1127583152.db2.gz WWEIONFMCVZVHK-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C)ns1 ZINC000602466463 1127583155 /nfs/dbraw/zinc/58/31/55/1127583155.db2.gz WWEIONFMCVZVHK-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602718738 1127608634 /nfs/dbraw/zinc/60/86/34/1127608634.db2.gz QUSJOXCMDDDFMI-CQSZACIVSA-N 1 2 282.309 3.527 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602718738 1127608636 /nfs/dbraw/zinc/60/86/36/1127608636.db2.gz QUSJOXCMDDDFMI-CQSZACIVSA-N 1 2 282.309 3.527 20 30 CHEDLO COc1cccc(/C=[NH+]/CCCOC2CCCCC2)c1O ZINC000061242209 1127668354 /nfs/dbraw/zinc/66/83/54/1127668354.db2.gz BZNJYCZWHAPLAG-QGOAFFKASA-N 1 2 291.391 3.559 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000599470780 1127673116 /nfs/dbraw/zinc/67/31/16/1127673116.db2.gz WMVWKLDNOBNLNX-ZDUSSCGKSA-N 1 2 299.349 3.606 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000599470780 1127673118 /nfs/dbraw/zinc/67/31/18/1127673118.db2.gz WMVWKLDNOBNLNX-ZDUSSCGKSA-N 1 2 299.349 3.606 20 30 CHEDLO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@@H](C)C1(F)F ZINC000599514857 1127676873 /nfs/dbraw/zinc/67/68/73/1127676873.db2.gz LXJZZYYQZDYKSP-GHMZBOCLSA-N 1 2 298.764 3.935 20 30 CHEDLO Cc1nc([C@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)no1 ZINC000369001740 1127759481 /nfs/dbraw/zinc/75/94/81/1127759481.db2.gz NJOOSCRWCHTPLK-CQSZACIVSA-N 1 2 290.411 3.625 20 30 CHEDLO Cc1nc([C@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)no1 ZINC000369001740 1127759486 /nfs/dbraw/zinc/75/94/86/1127759486.db2.gz NJOOSCRWCHTPLK-CQSZACIVSA-N 1 2 290.411 3.625 20 30 CHEDLO N#CCCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000374624347 1127907516 /nfs/dbraw/zinc/90/75/16/1127907516.db2.gz GUGCJPPZWQZWLK-CQSZACIVSA-N 1 2 266.747 3.514 20 30 CHEDLO N#CCCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000374624347 1127907517 /nfs/dbraw/zinc/90/75/17/1127907517.db2.gz GUGCJPPZWQZWLK-CQSZACIVSA-N 1 2 266.747 3.514 20 30 CHEDLO C=CC[N@@H+](Cc1cccc(C)c1Br)C1CC1 ZINC001168438796 1128033954 /nfs/dbraw/zinc/03/39/54/1128033954.db2.gz PKRCQRKTZPWUDG-UHFFFAOYSA-N 1 2 280.209 3.908 20 30 CHEDLO C=CC[N@H+](Cc1cccc(C)c1Br)C1CC1 ZINC001168438796 1128033958 /nfs/dbraw/zinc/03/39/58/1128033958.db2.gz PKRCQRKTZPWUDG-UHFFFAOYSA-N 1 2 280.209 3.908 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000925273336 1128127553 /nfs/dbraw/zinc/12/75/53/1128127553.db2.gz FIIZAGNALCHENX-STQMWFEESA-N 1 2 298.390 3.716 20 30 CHEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000925273333 1128127621 /nfs/dbraw/zinc/12/76/21/1128127621.db2.gz FIIZAGNALCHENX-CHWSQXEVSA-N 1 2 298.390 3.716 20 30 CHEDLO CCC(C)(C)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000494540213 1128177361 /nfs/dbraw/zinc/17/73/61/1128177361.db2.gz GARRUNFQGOYUQY-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO CCC(C)(C)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000494540213 1128177363 /nfs/dbraw/zinc/17/73/63/1128177363.db2.gz GARRUNFQGOYUQY-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(C#N)c1O ZINC000926626726 1128184039 /nfs/dbraw/zinc/18/40/39/1128184039.db2.gz JODVYMSMSVDABL-GXFFZTMASA-N 1 2 282.334 3.596 20 30 CHEDLO C=CC[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000494657240 1128185309 /nfs/dbraw/zinc/18/53/09/1128185309.db2.gz SFUDTZXICVMFQX-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO C=CC[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000494657240 1128185311 /nfs/dbraw/zinc/18/53/11/1128185311.db2.gz SFUDTZXICVMFQX-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO CC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926705179 1128188967 /nfs/dbraw/zinc/18/89/67/1128188967.db2.gz MFDAKXCEGKNWTO-ZFWWWQNUSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926705176 1128189219 /nfs/dbraw/zinc/18/92/19/1128189219.db2.gz MFDAKXCEGKNWTO-DZGCQCFKSA-N 1 2 294.345 3.740 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000562384630 1128399664 /nfs/dbraw/zinc/39/96/64/1128399664.db2.gz ZYAKLDKUCLOETA-UHFFFAOYSA-N 1 2 292.382 3.659 20 30 CHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CC[C@@H](C)CCC)C(=O)OCC ZINC001257470929 1128469751 /nfs/dbraw/zinc/46/97/51/1128469751.db2.gz MDUQATQDSUWYLE-LJIGWXMPSA-N 1 2 281.440 3.689 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000066215732 1128471847 /nfs/dbraw/zinc/47/18/47/1128471847.db2.gz YNJXDNWZZYJOMO-UHFFFAOYSA-N 1 2 299.201 3.606 20 30 CHEDLO CCCCOc1cc(C[N@H+](CC)CCC#N)ccc1OC ZINC000127626232 1128481071 /nfs/dbraw/zinc/48/10/71/1128481071.db2.gz XJQAQQSPPIOYDJ-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO CCCCOc1cc(C[N@@H+](CC)CCC#N)ccc1OC ZINC000127626232 1128481072 /nfs/dbraw/zinc/48/10/72/1128481072.db2.gz XJQAQQSPPIOYDJ-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO Cc1cccc(C([NH2+]CCC#N)c2cccc(C)c2)c1 ZINC000567684267 1128570659 /nfs/dbraw/zinc/57/06/59/1128570659.db2.gz FYSQCALFLFJVQM-UHFFFAOYSA-N 1 2 264.372 3.896 20 30 CHEDLO N#CC1(c2ccc(Nc3cccc4[nH+]ccn43)cc2)CC1 ZINC001212245606 1128648422 /nfs/dbraw/zinc/64/84/22/1128648422.db2.gz ZVWNYCFGPOXXGG-UHFFFAOYSA-N 1 2 274.327 3.633 20 30 CHEDLO Cc1cc(C)c(Nc2cc(C#N)cn2C(C)(C)C)c[nH+]1 ZINC001213505730 1117826186 /nfs/dbraw/zinc/82/61/86/1117826186.db2.gz OIELHGMQIPBTQQ-UHFFFAOYSA-N 1 2 268.364 3.870 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2ccc(C#N)cc2F)c1 ZINC000339741837 1117970299 /nfs/dbraw/zinc/97/02/99/1117970299.db2.gz ASRMBUJGDGSDHX-UHFFFAOYSA-N 1 2 288.347 3.702 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000579424246 1128748441 /nfs/dbraw/zinc/74/84/41/1128748441.db2.gz NMEFZMMQPRNAAG-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000579424246 1128748443 /nfs/dbraw/zinc/74/84/43/1128748443.db2.gz NMEFZMMQPRNAAG-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1F ZINC000901440420 1128755415 /nfs/dbraw/zinc/75/54/15/1128755415.db2.gz UFYOSBNFTOLHMH-WAYWQWQTSA-N 1 2 288.322 3.508 20 30 CHEDLO CC(C)n1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000172012964 1118167945 /nfs/dbraw/zinc/16/79/45/1118167945.db2.gz PIJQXGDGLCEIFR-UHFFFAOYSA-N 1 2 294.402 3.500 20 30 CHEDLO CC(C)n1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000172012964 1118167949 /nfs/dbraw/zinc/16/79/49/1118167949.db2.gz PIJQXGDGLCEIFR-UHFFFAOYSA-N 1 2 294.402 3.500 20 30 CHEDLO COc1cccc(/C=[NH+]\CCc2c[nH]c3ccccc23)c1O ZINC000255110459 1118217213 /nfs/dbraw/zinc/21/72/13/1118217213.db2.gz PPSXAKRYBMPSBE-ODLFYWEKSA-N 1 2 294.354 3.544 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc(F)cc(F)c3)n2c1 ZINC000255129177 1118279049 /nfs/dbraw/zinc/27/90/49/1118279049.db2.gz YDOUMQSBYNNYBD-ARJAWSKDSA-N 1 2 298.292 3.817 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)nc1Cl)C1CC1 ZINC000283143451 1118398993 /nfs/dbraw/zinc/39/89/93/1118398993.db2.gz ODJVDALWQGCRBX-UHFFFAOYSA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)nc1Cl)C1CC1 ZINC000283143451 1118398996 /nfs/dbraw/zinc/39/89/96/1118398996.db2.gz ODJVDALWQGCRBX-UHFFFAOYSA-N 1 2 257.164 3.539 20 30 CHEDLO C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000926099742 1118437588 /nfs/dbraw/zinc/43/75/88/1118437588.db2.gz KWVFOWZHBXSCBF-CQSZACIVSA-N 1 2 286.423 3.812 20 30 CHEDLO C=CCOc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1Cl ZINC000656265638 1118487092 /nfs/dbraw/zinc/48/70/92/1118487092.db2.gz GATXFBDWTNVYDO-UHFFFAOYSA-N 1 2 299.748 3.746 20 30 CHEDLO Cc1cc(C)c(Nc2cccc(C#CC(C)(C)O)c2)c[nH+]1 ZINC001213518485 1118517247 /nfs/dbraw/zinc/51/72/47/1118517247.db2.gz QNWSBPZIYALKAY-UHFFFAOYSA-N 1 2 280.371 3.564 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)c(C)s1 ZINC000180309980 1128785743 /nfs/dbraw/zinc/78/57/43/1128785743.db2.gz ZGJIMTWDGGKQAY-VOTSOKGWSA-N 1 2 282.368 3.909 20 30 CHEDLO C=CC[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000121335017 1118584697 /nfs/dbraw/zinc/58/46/97/1118584697.db2.gz PNJNKZHRXDFLKV-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO C=CC[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000121335017 1118584700 /nfs/dbraw/zinc/58/47/00/1118584700.db2.gz PNJNKZHRXDFLKV-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(F)c3)c[nH+]c12 ZINC000255323882 1118622237 /nfs/dbraw/zinc/62/22/37/1118622237.db2.gz BUEOUHLXDAJDJM-FPLPWBNLSA-N 1 2 280.302 3.678 20 30 CHEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccc(Cl)s1 ZINC000891499134 1118695993 /nfs/dbraw/zinc/69/59/93/1118695993.db2.gz NCSHECUJFCWGHV-UHFFFAOYSA-N 1 2 282.821 3.967 20 30 CHEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccc(Cl)s1 ZINC000891499134 1118695995 /nfs/dbraw/zinc/69/59/95/1118695995.db2.gz NCSHECUJFCWGHV-UHFFFAOYSA-N 1 2 282.821 3.967 20 30 CHEDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N ZINC000091982931 1118820080 /nfs/dbraw/zinc/82/00/80/1118820080.db2.gz DIKMQLYUSSFBQC-SNVBAGLBSA-N 1 2 271.191 3.975 20 30 CHEDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N ZINC000091982931 1118820084 /nfs/dbraw/zinc/82/00/84/1118820084.db2.gz DIKMQLYUSSFBQC-SNVBAGLBSA-N 1 2 271.191 3.975 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](C)C#N ZINC000091983150 1118838384 /nfs/dbraw/zinc/83/83/84/1118838384.db2.gz AWECAGHJQOXVCN-SNVBAGLBSA-N 1 2 288.288 3.826 20 30 CHEDLO CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](C)C#N ZINC000091983150 1118838390 /nfs/dbraw/zinc/83/83/90/1118838390.db2.gz AWECAGHJQOXVCN-SNVBAGLBSA-N 1 2 288.288 3.826 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1C#N ZINC000535682438 1118876414 /nfs/dbraw/zinc/87/64/14/1118876414.db2.gz ZTDKDXMTYQADOB-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1C#N ZINC000535682438 1118876421 /nfs/dbraw/zinc/87/64/21/1118876421.db2.gz ZTDKDXMTYQADOB-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C=CC[N@H+](Cc1cnc(C2CC2)o1)Cc1cccs1 ZINC000628121507 1128812997 /nfs/dbraw/zinc/81/29/97/1128812997.db2.gz JTOTUWPRYAVBCA-UHFFFAOYSA-N 1 2 274.389 3.802 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(C2CC2)o1)Cc1cccs1 ZINC000628121507 1128813002 /nfs/dbraw/zinc/81/30/02/1128813002.db2.gz JTOTUWPRYAVBCA-UHFFFAOYSA-N 1 2 274.389 3.802 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000892193811 1119018121 /nfs/dbraw/zinc/01/81/21/1119018121.db2.gz HHXMBNOJDOTGRM-SNVBAGLBSA-N 1 2 282.309 3.887 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000892193811 1119018125 /nfs/dbraw/zinc/01/81/25/1119018125.db2.gz HHXMBNOJDOTGRM-SNVBAGLBSA-N 1 2 282.309 3.887 20 30 CHEDLO CCCc1cc(NCC(C)(C)C#N)c2ccccc2[nH+]1 ZINC000611617824 1119110370 /nfs/dbraw/zinc/11/03/70/1119110370.db2.gz DFFFKPIOEPQPSS-UHFFFAOYSA-N 1 2 267.376 3.571 20 30 CHEDLO CC[N@H+](Cc1nnc(C(C)C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171145693 1119215429 /nfs/dbraw/zinc/21/54/29/1119215429.db2.gz VOYFWEWDJGBGAO-ZDUSSCGKSA-N 1 2 298.390 3.648 20 30 CHEDLO CC[N@@H+](Cc1nnc(C(C)C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171145693 1119215431 /nfs/dbraw/zinc/21/54/31/1119215431.db2.gz VOYFWEWDJGBGAO-ZDUSSCGKSA-N 1 2 298.390 3.648 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000308878897 1119285987 /nfs/dbraw/zinc/28/59/87/1119285987.db2.gz OXPDVHSWWUWNFX-UHFFFAOYSA-N 1 2 268.546 3.975 20 30 CHEDLO N#Cc1cc(F)c(F)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091014 1119423497 /nfs/dbraw/zinc/42/34/97/1119423497.db2.gz QVPCTDGTKLDJPF-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1cccc2c1C/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901472601 1128850836 /nfs/dbraw/zinc/85/08/36/1128850836.db2.gz NOAZTGMNBVLBQP-QPEQYQDCSA-N 1 2 266.344 3.595 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCc2cc3ccccc3[nH]2)c1 ZINC000255620510 1119651761 /nfs/dbraw/zinc/65/17/61/1119651761.db2.gz IPUWLZFRCICQPT-UNOMPAQXSA-N 1 2 294.354 3.544 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(F)c(F)c3)n2c1 ZINC000255627564 1119656146 /nfs/dbraw/zinc/65/61/46/1119656146.db2.gz RPYUDRJYKCOPKX-XQRVVYSFSA-N 1 2 298.292 3.817 20 30 CHEDLO CC(C)COc1cc(NCCc2ccc(C#N)cc2)cc[nH+]1 ZINC001167679666 1119663128 /nfs/dbraw/zinc/66/31/28/1119663128.db2.gz VJZXWDYEPQJQBE-UHFFFAOYSA-N 1 2 295.386 3.643 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000612163116 1119738757 /nfs/dbraw/zinc/73/87/57/1119738757.db2.gz OBTXORJSERBLSF-HZPDHXFCSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000612163116 1119738759 /nfs/dbraw/zinc/73/87/59/1119738759.db2.gz OBTXORJSERBLSF-HZPDHXFCSA-N 1 2 274.795 3.953 20 30 CHEDLO COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)(C)C#N ZINC000612584981 1119802482 /nfs/dbraw/zinc/80/24/82/1119802482.db2.gz LVZYNOGXFBHYJO-UHFFFAOYSA-N 1 2 287.190 3.641 20 30 CHEDLO CC(C)[C@H](C/[NH+]=C/c1ccccc1O)c1cccnc1 ZINC000177545111 1119824596 /nfs/dbraw/zinc/82/45/96/1119824596.db2.gz BPVPRKVISWZPAH-ZVCOJXFSSA-N 1 2 268.360 3.646 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066470504 1119894297 /nfs/dbraw/zinc/89/42/97/1119894297.db2.gz XDNCMPVLSXSCKH-ZJUUUORDSA-N 1 2 254.736 3.632 20 30 CHEDLO C=CC[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000661385915 1119877952 /nfs/dbraw/zinc/87/79/52/1119877952.db2.gz QTWBMISCZKPBKY-JTQLQIEISA-N 1 2 256.802 3.585 20 30 CHEDLO C=CC[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000661385915 1119877953 /nfs/dbraw/zinc/87/79/53/1119877953.db2.gz QTWBMISCZKPBKY-JTQLQIEISA-N 1 2 256.802 3.585 20 30 CHEDLO C=CCC(C)(C)c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924080117 1119879630 /nfs/dbraw/zinc/87/96/30/1119879630.db2.gz IHXWDCCYDYSKLZ-CYBMUJFWSA-N 1 2 288.395 3.755 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066470504 1119894292 /nfs/dbraw/zinc/89/42/92/1119894292.db2.gz XDNCMPVLSXSCKH-ZJUUUORDSA-N 1 2 254.736 3.632 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000173538396 1120156374 /nfs/dbraw/zinc/15/63/74/1120156374.db2.gz ZMJRDZYFCVRQKT-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000173538396 1120156375 /nfs/dbraw/zinc/15/63/75/1120156375.db2.gz ZMJRDZYFCVRQKT-UHFFFAOYSA-N 1 2 266.335 3.727 20 30 CHEDLO CC(C)Cc1cccc(C(=O)/C=C/c2c[nH+]cn2C)c1 ZINC000901507021 1128896624 /nfs/dbraw/zinc/89/66/24/1128896624.db2.gz SEWDUJMSYBDQAH-BQYQJAHWSA-N 1 2 268.360 3.515 20 30 CHEDLO C[C@@H](Nc1ccc(CCC#N)cc1)c1cn2c([nH+]1)CCCC2 ZINC000926892612 1120202106 /nfs/dbraw/zinc/20/21/06/1120202106.db2.gz KDNJAINBTYIZQZ-CQSZACIVSA-N 1 2 294.402 3.849 20 30 CHEDLO C=CC[N@@H+](Cc1occc1C)Cc1ccccc1F ZINC000511537328 1120250601 /nfs/dbraw/zinc/25/06/01/1120250601.db2.gz NJSXGMZSQZJDLK-UHFFFAOYSA-N 1 2 259.324 3.915 20 30 CHEDLO C=CC[N@H+](Cc1occc1C)Cc1ccccc1F ZINC000511537328 1120250603 /nfs/dbraw/zinc/25/06/03/1120250603.db2.gz NJSXGMZSQZJDLK-UHFFFAOYSA-N 1 2 259.324 3.915 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000076147946 1120277182 /nfs/dbraw/zinc/27/71/82/1120277182.db2.gz ZAFRRPRXRQWHLF-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000076147946 1120277186 /nfs/dbraw/zinc/27/71/86/1120277186.db2.gz ZAFRRPRXRQWHLF-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H](Cc1ccsc1)[N@H+](CCC#N)Cc1ccco1 ZINC000543058491 1120391583 /nfs/dbraw/zinc/39/15/83/1120391583.db2.gz SLMUMUXJQAFPDB-CYBMUJFWSA-N 1 2 274.389 3.688 20 30 CHEDLO C[C@H](Cc1ccsc1)[N@@H+](CCC#N)Cc1ccco1 ZINC000543058491 1120391589 /nfs/dbraw/zinc/39/15/89/1120391589.db2.gz SLMUMUXJQAFPDB-CYBMUJFWSA-N 1 2 274.389 3.688 20 30 CHEDLO Cc1ccc(CCC[N@H+](CC#N)C2CCCC2)cc1 ZINC000543207966 1120464265 /nfs/dbraw/zinc/46/42/65/1120464265.db2.gz XHPLKDHRVYFJQQ-UHFFFAOYSA-N 1 2 256.393 3.696 20 30 CHEDLO Cc1ccc(CCC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000543207966 1120464268 /nfs/dbraw/zinc/46/42/68/1120464268.db2.gz XHPLKDHRVYFJQQ-UHFFFAOYSA-N 1 2 256.393 3.696 20 30 CHEDLO C=CCOc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000398067205 1120563721 /nfs/dbraw/zinc/56/37/21/1120563721.db2.gz NZMZSKHGVXJWKG-CQSZACIVSA-N 1 2 267.319 3.529 20 30 CHEDLO CC(C)[N@H+](Cc1cccnc1)Cc1ccc(F)cc1C#N ZINC000125638200 1120620515 /nfs/dbraw/zinc/62/05/15/1120620515.db2.gz WNUIQDYAJVDJND-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1C#N ZINC000125638200 1120620517 /nfs/dbraw/zinc/62/05/17/1120620517.db2.gz WNUIQDYAJVDJND-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1Cl ZINC000162866996 1120694732 /nfs/dbraw/zinc/69/47/32/1120694732.db2.gz FQVPIZCLIPLMQX-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1Cl ZINC000162866996 1120694735 /nfs/dbraw/zinc/69/47/35/1120694735.db2.gz FQVPIZCLIPLMQX-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ncccc1C ZINC000093159701 1128938047 /nfs/dbraw/zinc/93/80/47/1128938047.db2.gz JQVGYWVGCGOYCZ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ncccc1C ZINC000093159701 1128938050 /nfs/dbraw/zinc/93/80/50/1128938050.db2.gz JQVGYWVGCGOYCZ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661539828 1120776329 /nfs/dbraw/zinc/77/63/29/1120776329.db2.gz RWLFLEQMVXSCNO-LLVKDONJSA-N 1 2 285.313 3.599 20 30 CHEDLO C=CCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661539828 1120776333 /nfs/dbraw/zinc/77/63/33/1120776333.db2.gz RWLFLEQMVXSCNO-LLVKDONJSA-N 1 2 285.313 3.599 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H](OCC)C(C)C)c1 ZINC000074797257 1121586679 /nfs/dbraw/zinc/58/66/79/1121586679.db2.gz IKLOTQIHMNONFT-YPOUMIDOSA-N 1 2 293.407 3.661 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4cc(F)ccc4C3=O)n2c1 ZINC000178768299 1121599610 /nfs/dbraw/zinc/59/96/10/1121599610.db2.gz UTMLZFGCSLWCPP-MDWZMJQESA-N 1 2 292.313 3.604 20 30 CHEDLO N#Cc1cc(Nc2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC001176615907 1121661505 /nfs/dbraw/zinc/66/15/05/1121661505.db2.gz SSXQMZBFJSSZMX-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO NC(=[NH+]OCc1cccc2ccccc21)c1ccc(F)cc1 ZINC000727488272 1121721915 /nfs/dbraw/zinc/72/19/15/1121721915.db2.gz NNRLGDMYPPDOAL-UHFFFAOYSA-N 1 2 294.329 3.816 20 30 CHEDLO C=C(Br)C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000726070979 1121723044 /nfs/dbraw/zinc/72/30/44/1121723044.db2.gz DJYGZXFJYUEULD-UHFFFAOYSA-N 1 2 298.224 3.652 20 30 CHEDLO C=C(Br)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000726070979 1121723051 /nfs/dbraw/zinc/72/30/51/1121723051.db2.gz DJYGZXFJYUEULD-UHFFFAOYSA-N 1 2 298.224 3.652 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2cc(F)cc(F)c2)cc1F ZINC000727651281 1121728993 /nfs/dbraw/zinc/72/89/93/1121728993.db2.gz RFNMJPARASMPCC-UHFFFAOYSA-N 1 2 293.292 3.616 20 30 CHEDLO CCCCCCCCCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001177998648 1121761402 /nfs/dbraw/zinc/76/14/02/1121761402.db2.gz UNTOUFPHOHVSHW-UHFFFAOYSA-N 1 2 293.455 3.941 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000285959115 1121766210 /nfs/dbraw/zinc/76/62/10/1121766210.db2.gz FJMGHIIMZJDLSV-IINYFYTJSA-N 1 2 277.318 3.656 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc2ncccc2c1 ZINC000730147327 1121794261 /nfs/dbraw/zinc/79/42/61/1121794261.db2.gz BRKUGZPPTTWJCW-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nc(C)sc1C ZINC000730148496 1121794680 /nfs/dbraw/zinc/79/46/80/1121794680.db2.gz VIWZDROFIOFRNN-UHFFFAOYSA-N 1 2 296.399 3.566 20 30 CHEDLO Cc1ccc(C)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730146640 1121794985 /nfs/dbraw/zinc/79/49/85/1121794985.db2.gz CMZLWFUJYZMPLI-UHFFFAOYSA-N 1 2 275.355 3.720 20 30 CHEDLO CCOc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147680 1121795091 /nfs/dbraw/zinc/79/50/91/1121795091.db2.gz IFTYWVZVMHINHH-UHFFFAOYSA-N 1 2 291.354 3.501 20 30 CHEDLO Cc1cc(C#N)cc(C)c1C[NH2+]CC(F)(F)C(C)(C)C ZINC001179222177 1121859053 /nfs/dbraw/zinc/85/90/53/1121859053.db2.gz DKXOEJDRGDQXJU-UHFFFAOYSA-N 1 2 280.362 3.946 20 30 CHEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1C(F)(F)F ZINC000414379090 1121878671 /nfs/dbraw/zinc/87/86/71/1121878671.db2.gz FQMRZWGCRWPVNI-LLVKDONJSA-N 1 2 270.298 3.748 20 30 CHEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1C(F)(F)F ZINC000414379090 1121878679 /nfs/dbraw/zinc/87/86/79/1121878679.db2.gz FQMRZWGCRWPVNI-LLVKDONJSA-N 1 2 270.298 3.748 20 30 CHEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCc3ccccc32)c1O ZINC000731937673 1121897773 /nfs/dbraw/zinc/89/77/73/1121897773.db2.gz MNQPERSRSHXBSK-HYTQYMIGSA-N 1 2 295.382 3.940 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000345773272 1121913915 /nfs/dbraw/zinc/91/39/15/1121913915.db2.gz PJNFTIQEGKGPRL-ZDUSSCGKSA-N 1 2 280.346 3.644 20 30 CHEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1C#N ZINC000345773272 1121913921 /nfs/dbraw/zinc/91/39/21/1121913921.db2.gz PJNFTIQEGKGPRL-ZDUSSCGKSA-N 1 2 280.346 3.644 20 30 CHEDLO C=C1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC001180006334 1121936438 /nfs/dbraw/zinc/93/64/38/1121936438.db2.gz AHQORFNJWPSLTR-UHFFFAOYSA-N 1 2 281.783 3.509 20 30 CHEDLO C#C[C@@H](CCCC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082031 1121964319 /nfs/dbraw/zinc/96/43/19/1121964319.db2.gz QOMNQGROLARPDB-AWEZNQCLSA-N 1 2 254.333 3.648 20 30 CHEDLO Cc1cc(F)cc2c1C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000503058081 1122164112 /nfs/dbraw/zinc/16/41/12/1122164112.db2.gz DAFDXFZEZNZYOE-UHFFFAOYSA-N 1 2 286.375 3.626 20 30 CHEDLO Cc1cc(F)cc2c1C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000503058081 1122164110 /nfs/dbraw/zinc/16/41/10/1122164110.db2.gz DAFDXFZEZNZYOE-UHFFFAOYSA-N 1 2 286.375 3.626 20 30 CHEDLO C=C(C)C(C)(C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000424812438 1122346042 /nfs/dbraw/zinc/34/60/42/1122346042.db2.gz NNBWYPPEQNGUCT-UHFFFAOYSA-N 1 2 283.375 3.926 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000430103968 1122401067 /nfs/dbraw/zinc/40/10/67/1122401067.db2.gz IHRTVMJBYBAVOJ-UHFFFAOYSA-N 1 2 277.371 3.650 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000430103968 1122401069 /nfs/dbraw/zinc/40/10/69/1122401069.db2.gz IHRTVMJBYBAVOJ-UHFFFAOYSA-N 1 2 277.371 3.650 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2sc3c(c2C#N)CCC3)c1 ZINC001203653987 1122417844 /nfs/dbraw/zinc/41/78/44/1122417844.db2.gz AMGAVVGDRWKESZ-UHFFFAOYSA-N 1 2 269.373 3.864 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000505690013 1122464627 /nfs/dbraw/zinc/46/46/27/1122464627.db2.gz LAJREUIARJOHSP-OAHLLOKOSA-N 1 2 282.387 3.630 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000505690013 1122464628 /nfs/dbraw/zinc/46/46/28/1122464628.db2.gz LAJREUIARJOHSP-OAHLLOKOSA-N 1 2 282.387 3.630 20 30 CHEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c2c(OC)cccc12 ZINC000435600605 1122479314 /nfs/dbraw/zinc/47/93/14/1122479314.db2.gz DQPGULARYAXTCW-SCLBCKFNSA-N 1 2 298.386 3.637 20 30 CHEDLO CC(C)(C)c1cn(CC#Cc2ccccc2Cl)c[nH+]1 ZINC001189876625 1122517957 /nfs/dbraw/zinc/51/79/57/1122517957.db2.gz QZULMPALNSQJDH-UHFFFAOYSA-N 1 2 272.779 3.886 20 30 CHEDLO C[N@H+](Cc1csc2ccccc12)Cc1ccncc1C#N ZINC001190317625 1122532441 /nfs/dbraw/zinc/53/24/41/1122532441.db2.gz FUPVBWICDSXEQT-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C[N@@H+](Cc1csc2ccccc12)Cc1ccncc1C#N ZINC001190317625 1122532446 /nfs/dbraw/zinc/53/24/46/1122532446.db2.gz FUPVBWICDSXEQT-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccncc1Cl ZINC000425532117 1122543244 /nfs/dbraw/zinc/54/32/44/1122543244.db2.gz IKVNRQCYZQOSSN-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1Cl ZINC000425532117 1122543247 /nfs/dbraw/zinc/54/32/47/1122543247.db2.gz IKVNRQCYZQOSSN-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO CCCCCCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001191051691 1122566490 /nfs/dbraw/zinc/56/64/90/1122566490.db2.gz YPBRHDJPPVDUJY-UHFFFAOYSA-N 1 2 288.395 3.816 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437584770 1122643385 /nfs/dbraw/zinc/64/33/85/1122643385.db2.gz YAPNKMWFOGCXRM-VIFPVBQESA-N 1 2 290.716 3.950 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000437584770 1122643386 /nfs/dbraw/zinc/64/33/86/1122643386.db2.gz YAPNKMWFOGCXRM-VIFPVBQESA-N 1 2 290.716 3.950 20 30 CHEDLO C[C@H](C[N@H+](CC#N)C1CCCC1)c1ccc(F)cc1 ZINC000438095379 1122675752 /nfs/dbraw/zinc/67/57/52/1122675752.db2.gz INVNRBRFTOCYEE-CYBMUJFWSA-N 1 2 260.356 3.697 20 30 CHEDLO C[C@H](C[N@@H+](CC#N)C1CCCC1)c1ccc(F)cc1 ZINC000438095379 1122675754 /nfs/dbraw/zinc/67/57/54/1122675754.db2.gz INVNRBRFTOCYEE-CYBMUJFWSA-N 1 2 260.356 3.697 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)c(F)c1 ZINC001193576205 1122698732 /nfs/dbraw/zinc/69/87/32/1122698732.db2.gz ZSLASJWKWQSJPV-MRXNPFEDSA-N 1 2 292.304 3.906 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000426127428 1122720805 /nfs/dbraw/zinc/72/08/05/1122720805.db2.gz ICLWYQPIRSRNIM-VIFPVBQESA-N 1 2 269.175 3.948 20 30 CHEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439431540 1122778574 /nfs/dbraw/zinc/77/85/74/1122778574.db2.gz NKMQSUOKAYUPHX-LLVKDONJSA-N 1 2 274.751 3.998 20 30 CHEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439431540 1122778575 /nfs/dbraw/zinc/77/85/75/1122778575.db2.gz NKMQSUOKAYUPHX-LLVKDONJSA-N 1 2 274.751 3.998 20 30 CHEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccccc2Cl)cs1 ZINC000775609285 1122799282 /nfs/dbraw/zinc/79/92/82/1122799282.db2.gz KHYPSIGZACUQCU-UHFFFAOYSA-N 1 2 290.819 3.919 20 30 CHEDLO C#CC[N@H+](CC)Cc1nc(-c2ccccc2Cl)cs1 ZINC000775609285 1122799285 /nfs/dbraw/zinc/79/92/85/1122799285.db2.gz KHYPSIGZACUQCU-UHFFFAOYSA-N 1 2 290.819 3.919 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)[C@@H]1c1cccnc1 ZINC000664823935 1122866905 /nfs/dbraw/zinc/86/69/05/1122866905.db2.gz RFBQCBCNPUDBOO-GOSISDBHSA-N 1 2 276.383 3.516 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)[C@@H]1c1cccnc1 ZINC000664823935 1122866908 /nfs/dbraw/zinc/86/69/08/1122866908.db2.gz RFBQCBCNPUDBOO-GOSISDBHSA-N 1 2 276.383 3.516 20 30 CHEDLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000358591226 1122909080 /nfs/dbraw/zinc/90/90/80/1122909080.db2.gz OGRRJCFZFPXQII-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000340448405 1123145587 /nfs/dbraw/zinc/14/55/87/1123145587.db2.gz SMPKXCGBSNDLQM-IAGOWNOFSA-N 1 2 294.402 3.812 20 30 CHEDLO CC(C)(C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)co1 ZINC000930219232 1123215537 /nfs/dbraw/zinc/21/55/37/1123215537.db2.gz KZOBMGPCDHLBRH-UHFFFAOYSA-N 1 2 295.386 3.623 20 30 CHEDLO C=CCOCCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000850532317 1123285894 /nfs/dbraw/zinc/28/58/94/1123285894.db2.gz SGEZXCJRDLALRA-CQSZACIVSA-N 1 2 283.799 3.679 20 30 CHEDLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000850571913 1123295470 /nfs/dbraw/zinc/29/54/70/1123295470.db2.gz FDXANBINMCDKBC-LBPRGKRZSA-N 1 2 296.361 3.921 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428246377 1123307535 /nfs/dbraw/zinc/30/75/35/1123307535.db2.gz LLQKRYJHZCNKLI-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428246377 1123307540 /nfs/dbraw/zinc/30/75/40/1123307540.db2.gz LLQKRYJHZCNKLI-CYBMUJFWSA-N 1 2 280.346 3.817 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](CC)C[C@H](C)C#N ZINC000338944320 1123403243 /nfs/dbraw/zinc/40/32/43/1123403243.db2.gz DXVMFXNOROULKD-CQSZACIVSA-N 1 2 273.424 3.749 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](CC)C[C@H](C)C#N ZINC000338944320 1123403245 /nfs/dbraw/zinc/40/32/45/1123403245.db2.gz DXVMFXNOROULKD-CQSZACIVSA-N 1 2 273.424 3.749 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896501568 1123591508 /nfs/dbraw/zinc/59/15/08/1123591508.db2.gz ATHLEHLMUUUSPN-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896501568 1123591511 /nfs/dbraw/zinc/59/15/11/1123591511.db2.gz ATHLEHLMUUUSPN-AWEZNQCLSA-N 1 2 280.371 3.584 20 30 CHEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329498721 1123616152 /nfs/dbraw/zinc/61/61/52/1123616152.db2.gz XXNTVCFNHHNYAJ-MELADBBJSA-N 1 2 275.396 3.658 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115740348 1123627556 /nfs/dbraw/zinc/62/75/56/1123627556.db2.gz GAQPEEXRIKYUAC-CYBMUJFWSA-N 1 2 253.798 3.529 20 30 CHEDLO C=C(Cl)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115740348 1123627558 /nfs/dbraw/zinc/62/75/58/1123627558.db2.gz GAQPEEXRIKYUAC-CYBMUJFWSA-N 1 2 253.798 3.529 20 30 CHEDLO CCCCCCCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984954 1123627944 /nfs/dbraw/zinc/62/79/44/1123627944.db2.gz FZWDZWLGHVCMJQ-HNNXBMFYSA-N 1 2 291.439 3.975 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000354034018 1123705096 /nfs/dbraw/zinc/70/50/96/1123705096.db2.gz OIWMZEHJXRRGEU-SNVBAGLBSA-N 1 2 266.747 3.603 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000354034018 1123705098 /nfs/dbraw/zinc/70/50/98/1123705098.db2.gz OIWMZEHJXRRGEU-SNVBAGLBSA-N 1 2 266.747 3.603 20 30 CHEDLO Cc1cc(C)cc(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000119140010 1123833270 /nfs/dbraw/zinc/83/32/70/1123833270.db2.gz GIPPETQGNWYJLL-VOTSOKGWSA-N 1 2 276.339 3.847 20 30 CHEDLO CC(C)c1[nH+]cc(-c2cc(Cl)cc(C#N)c2)n1C ZINC000863979586 1123906614 /nfs/dbraw/zinc/90/66/14/1123906614.db2.gz JPGWUBWSZVDZBZ-UHFFFAOYSA-N 1 2 259.740 3.736 20 30 CHEDLO Cc1cc(NCc2cccc(F)c2C#N)ccc1[NH+](C)C ZINC000864003325 1123908273 /nfs/dbraw/zinc/90/82/73/1123908273.db2.gz JGWHLGNTHIWXEY-UHFFFAOYSA-N 1 2 283.350 3.684 20 30 CHEDLO C[C@@H]1COCC[C@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000794677971 1123926865 /nfs/dbraw/zinc/92/68/65/1123926865.db2.gz YSMWDGKRTOJUQA-RNCGYYIHSA-N 1 2 283.371 3.637 20 30 CHEDLO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866240242 1124040811 /nfs/dbraw/zinc/04/08/11/1124040811.db2.gz ZDCWQQLPPSHOLT-QWHCGFSZSA-N 1 2 296.370 3.684 20 30 CHEDLO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866354232 1124056381 /nfs/dbraw/zinc/05/63/81/1124056381.db2.gz ZGAIPDCXHQBNNR-RYUDHWBXSA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1cccc(C#N)c1O ZINC000866364493 1124057653 /nfs/dbraw/zinc/05/76/53/1124057653.db2.gz CELRRMKNRFIEET-AAEUAGOBSA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cccc(C#N)c1O ZINC000866383772 1124059892 /nfs/dbraw/zinc/05/98/92/1124059892.db2.gz QXJXGPPPQABGQY-NZVBXONLSA-N 1 2 296.773 3.619 20 30 CHEDLO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866381527 1124060278 /nfs/dbraw/zinc/06/02/78/1124060278.db2.gz MTHRHPOTBIBHTR-NILFDRSVSA-N 1 2 290.432 3.589 20 30 CHEDLO Cc1cc(F)cc(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC001238781713 1131246374 /nfs/dbraw/zinc/24/63/74/1131246374.db2.gz OVUYQDDHMKHBEC-UHFFFAOYSA-N 1 2 280.774 3.913 20 30 CHEDLO C[C@H](C#N)C[N@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000526057078 1124503502 /nfs/dbraw/zinc/50/35/02/1124503502.db2.gz HQCUAQDLAKDXHY-XQJDBVBESA-N 1 2 274.795 3.977 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000526057078 1124503506 /nfs/dbraw/zinc/50/35/06/1124503506.db2.gz HQCUAQDLAKDXHY-XQJDBVBESA-N 1 2 274.795 3.977 20 30 CHEDLO N#C[C@H]1[N@@H+](CC2CCCCCC2)CCC[C@]12CCCCO2 ZINC000447907562 1124542362 /nfs/dbraw/zinc/54/23/62/1124542362.db2.gz SGNISIMPZZQDQF-QZTJIDSGSA-N 1 2 290.451 3.884 20 30 CHEDLO N#C[C@H]1[N@H+](CC2CCCCCC2)CCC[C@]12CCCCO2 ZINC000447907562 1124542357 /nfs/dbraw/zinc/54/23/57/1124542357.db2.gz SGNISIMPZZQDQF-QZTJIDSGSA-N 1 2 290.451 3.884 20 30 CHEDLO CCC(C)(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000447908762 1124542703 /nfs/dbraw/zinc/54/27/03/1124542703.db2.gz VKWJYSLWSIKNGS-NVXWUHKLSA-N 1 2 278.440 3.740 20 30 CHEDLO CCC(C)(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000447908762 1124542710 /nfs/dbraw/zinc/54/27/10/1124542710.db2.gz VKWJYSLWSIKNGS-NVXWUHKLSA-N 1 2 278.440 3.740 20 30 CHEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC#N ZINC000123229544 1124576650 /nfs/dbraw/zinc/57/66/50/1124576650.db2.gz YUCSIDUWTRFJFN-SECBINFHSA-N 1 2 257.164 3.900 20 30 CHEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC#N ZINC000123229544 1124576652 /nfs/dbraw/zinc/57/66/52/1124576652.db2.gz YUCSIDUWTRFJFN-SECBINFHSA-N 1 2 257.164 3.900 20 30 CHEDLO Cc1cccc(CC[N@H+](CCC#N)Cc2ccco2)c1 ZINC000449002403 1124629009 /nfs/dbraw/zinc/62/90/09/1124629009.db2.gz KREJVYXFIGZWQA-UHFFFAOYSA-N 1 2 268.360 3.546 20 30 CHEDLO Cc1cccc(CC[N@@H+](CCC#N)Cc2ccco2)c1 ZINC000449002403 1124629012 /nfs/dbraw/zinc/62/90/12/1124629012.db2.gz KREJVYXFIGZWQA-UHFFFAOYSA-N 1 2 268.360 3.546 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+](CCC#N)CC1CC1 ZINC000449022856 1124639575 /nfs/dbraw/zinc/63/95/75/1124639575.db2.gz LCURRXRRKXQLCV-UHFFFAOYSA-N 1 2 294.398 3.974 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+](CCC#N)CC1CC1 ZINC000449022856 1124639577 /nfs/dbraw/zinc/63/95/77/1124639577.db2.gz LCURRXRRKXQLCV-UHFFFAOYSA-N 1 2 294.398 3.974 20 30 CHEDLO Cc1cn2cc(/C=C/c3ccc(C#N)cc3)ccc2[nH+]1 ZINC001239291088 1131311018 /nfs/dbraw/zinc/31/10/18/1131311018.db2.gz DUKJGJUZHBUICS-QPJJXVBHSA-N 1 2 259.312 3.685 20 30 CHEDLO CCCCCCCCOC(=O)Nc1cc[nH+]c(N)c1 ZINC001239311568 1131314822 /nfs/dbraw/zinc/31/48/22/1131314822.db2.gz PLVDXFZILZFAJO-UHFFFAOYSA-N 1 2 265.357 3.573 20 30 CHEDLO CSC(C)(C)CC[N@H+](CCC#N)Cc1ccco1 ZINC000876530237 1124959527 /nfs/dbraw/zinc/95/95/27/1124959527.db2.gz PNLWMZYDMNGFGJ-UHFFFAOYSA-N 1 2 266.410 3.527 20 30 CHEDLO CSC(C)(C)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000876530237 1124959530 /nfs/dbraw/zinc/95/95/30/1124959530.db2.gz PNLWMZYDMNGFGJ-UHFFFAOYSA-N 1 2 266.410 3.527 20 30 CHEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000876848894 1124985378 /nfs/dbraw/zinc/98/53/78/1124985378.db2.gz NPTFDUHBXOJNMS-LLVKDONJSA-N 1 2 265.788 3.758 20 30 CHEDLO C=CC[N@@H+](Cc1nnc(C2CC2)s1)CC1CCCCC1 ZINC000450405557 1125013816 /nfs/dbraw/zinc/01/38/16/1125013816.db2.gz OYBNZHHVIGQLQJ-UHFFFAOYSA-N 1 2 291.464 3.984 20 30 CHEDLO C=CC[N@H+](Cc1nnc(C2CC2)s1)CC1CCCCC1 ZINC000450405557 1125013823 /nfs/dbraw/zinc/01/38/23/1125013823.db2.gz OYBNZHHVIGQLQJ-UHFFFAOYSA-N 1 2 291.464 3.984 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)ccc(Br)c1F ZINC000877365072 1125024060 /nfs/dbraw/zinc/02/40/60/1125024060.db2.gz OBFBFTQSROZNKH-JTQLQIEISA-N 1 2 299.187 3.679 20 30 CHEDLO N#CCC[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1ccccn1 ZINC000878167629 1125127917 /nfs/dbraw/zinc/12/79/17/1125127917.db2.gz HQIBCSICMRVBFI-AWEZNQCLSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@H+](CC[C@@H]1CCCC1(F)F)Cc1ccccn1 ZINC000878167629 1125127919 /nfs/dbraw/zinc/12/79/19/1125127919.db2.gz HQIBCSICMRVBFI-AWEZNQCLSA-N 1 2 293.361 3.623 20 30 CHEDLO N#Cc1c(C[N@@H+]2CC[C@@H]2c2ccccc2)cn2ccccc12 ZINC000348539716 1125311454 /nfs/dbraw/zinc/31/14/54/1125311454.db2.gz ATAKGXRYDUIUDN-GOSISDBHSA-N 1 2 287.366 3.758 20 30 CHEDLO N#Cc1c(C[N@H+]2CC[C@@H]2c2ccccc2)cn2ccccc12 ZINC000348539716 1125311459 /nfs/dbraw/zinc/31/14/59/1125311459.db2.gz ATAKGXRYDUIUDN-GOSISDBHSA-N 1 2 287.366 3.758 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1Br ZINC000129156394 1125326433 /nfs/dbraw/zinc/32/64/33/1125326433.db2.gz JASNDSCZLFAMCF-SNVBAGLBSA-N 1 2 281.197 3.649 20 30 CHEDLO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000883274709 1125390563 /nfs/dbraw/zinc/39/05/63/1125390563.db2.gz RZKRDZSDEHLMMM-WCQYABFASA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc2ccccc2o1 ZINC000352825459 1125399916 /nfs/dbraw/zinc/39/99/16/1125399916.db2.gz SYOQEUKTXVQDRG-SNVBAGLBSA-N 1 2 283.356 3.612 20 30 CHEDLO Cc1nsc(Nc2cccc3[nH+]c(C)ccc23)c1C#N ZINC001212794006 1125411662 /nfs/dbraw/zinc/41/16/62/1125411662.db2.gz CPVVJUBSAKPWQQ-UHFFFAOYSA-N 1 2 280.356 3.923 20 30 CHEDLO C=C(Br)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000133325782 1125446862 /nfs/dbraw/zinc/44/68/62/1125446862.db2.gz HJWWTKWPNBHHFO-VIFPVBQESA-N 1 2 297.221 3.856 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CC2Cc3ccccc3C2)c1 ZINC000735229164 1129335765 /nfs/dbraw/zinc/33/57/65/1129335765.db2.gz SVTXWKATOOBDCH-MOSHPQCFSA-N 1 2 295.382 3.625 20 30 CHEDLO COc1ccc([C@H](C)CC/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000741465383 1129436901 /nfs/dbraw/zinc/43/69/01/1129436901.db2.gz VCAAAIDJZQCIKS-KZKLBEMASA-N 1 2 299.370 3.719 20 30 CHEDLO Cc1ccc([C@@H](C)C/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000737440054 1129448003 /nfs/dbraw/zinc/44/80/03/1129448003.db2.gz ASKIFHOLCFPTQC-FHXOWUIVSA-N 1 2 269.344 3.629 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OC(C)(C)C)c1)C1CC1 ZINC001168836183 1129675967 /nfs/dbraw/zinc/67/59/67/1129675967.db2.gz AYUHTDGOTKGPIC-CQSZACIVSA-N 1 2 286.419 3.988 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1CC1 ZINC001168836183 1129675969 /nfs/dbraw/zinc/67/59/69/1129675969.db2.gz AYUHTDGOTKGPIC-CQSZACIVSA-N 1 2 286.419 3.988 20 30 CHEDLO C#CCCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000766737752 1129735140 /nfs/dbraw/zinc/73/51/40/1129735140.db2.gz LSCWAUQWDMZHCH-UHFFFAOYSA-N 1 2 256.374 3.519 20 30 CHEDLO N#CC12CCC(Nc3ccc(-n4cccc4)c[nH+]3)(CC1)CC2 ZINC001169747683 1129751778 /nfs/dbraw/zinc/75/17/78/1129751778.db2.gz BRRSQNSQFOKRPW-UHFFFAOYSA-N 1 2 292.386 3.901 20 30 CHEDLO COc1cccc2cc(CNc3cc(CC#N)cc[nH+]3)oc21 ZINC000767290997 1129784572 /nfs/dbraw/zinc/78/45/72/1129784572.db2.gz LYIWBDYUIDDORO-UHFFFAOYSA-N 1 2 293.326 3.515 20 30 CHEDLO Cc1cncc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000767367475 1129789099 /nfs/dbraw/zinc/78/90/99/1129789099.db2.gz OJMVDVWWKGCXAK-NSCUHMNNSA-N 1 2 295.367 3.533 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767696440 1129806441 /nfs/dbraw/zinc/80/64/41/1129806441.db2.gz JMWMIHXFCASVPJ-CQSZACIVSA-N 1 2 284.359 3.518 20 30 CHEDLO Cc1[nH]c[nH+]c1CN=Nc1c(Cl)cc(F)cc1Cl ZINC000767910505 1129821988 /nfs/dbraw/zinc/82/19/88/1129821988.db2.gz JDUUQLMDHVHFTD-UHFFFAOYSA-N 1 2 287.125 3.610 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001139029364 1129835210 /nfs/dbraw/zinc/83/52/10/1129835210.db2.gz VQVBXDUFQMGRGD-HZPDHXFCSA-N 1 2 281.346 3.523 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001139029364 1129835214 /nfs/dbraw/zinc/83/52/14/1129835214.db2.gz VQVBXDUFQMGRGD-HZPDHXFCSA-N 1 2 281.346 3.523 20 30 CHEDLO C#CC[N@@H+](Cc1sccc1OC)Cc1ccc(F)cc1 ZINC000769145093 1129892974 /nfs/dbraw/zinc/89/29/74/1129892974.db2.gz BDSRIHAYJMTQHY-UHFFFAOYSA-N 1 2 289.375 3.531 20 30 CHEDLO C#CC[N@H+](Cc1sccc1OC)Cc1ccc(F)cc1 ZINC000769145093 1129892977 /nfs/dbraw/zinc/89/29/77/1129892977.db2.gz BDSRIHAYJMTQHY-UHFFFAOYSA-N 1 2 289.375 3.531 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCCc2cccs2)c1O ZINC000769548174 1129917058 /nfs/dbraw/zinc/91/70/58/1129917058.db2.gz HIEHJTODWMSAKL-ATVHPVEESA-N 1 2 289.400 3.904 20 30 CHEDLO Cc1ccc(C)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000769608562 1129919106 /nfs/dbraw/zinc/91/91/06/1129919106.db2.gz VAGLBCLWIINCHO-CMDGGOBGSA-N 1 2 276.339 3.847 20 30 CHEDLO O=C1c2cc(Cl)ccc2O/C1=C/c1cccc2[nH+]ccn21 ZINC000769610724 1129919380 /nfs/dbraw/zinc/91/93/80/1129919380.db2.gz SWRZOOORUFCQGD-NTEUORMPSA-N 1 2 296.713 3.604 20 30 CHEDLO Cc1[nH]c(/C=C2/CCCc3ccccc3C2=O)[nH+]c1C ZINC000901415340 1129923030 /nfs/dbraw/zinc/92/30/30/1129923030.db2.gz HWFLJEZWKNILMX-UVTDQMKNSA-N 1 2 266.344 3.629 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2cc(C)c(C)cc2C)[nH+]c1C ZINC000901430118 1129924281 /nfs/dbraw/zinc/92/42/81/1129924281.db2.gz HCJYYPRETAUPEX-VOTSOKGWSA-N 1 2 268.360 3.848 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)s1 ZINC000901437748 1129925477 /nfs/dbraw/zinc/92/54/77/1129925477.db2.gz CXRUFCZWOLQTHN-AATRIKPKSA-N 1 2 260.362 3.730 20 30 CHEDLO CCCOc1ccc(C(=O)/C=C/c2c[nH+]cn2CC)cc1 ZINC000901436916 1129925801 /nfs/dbraw/zinc/92/58/01/1129925801.db2.gz CJPZKOXXIHEXCX-JXMROGBWSA-N 1 2 284.359 3.588 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/CCc2cc(SC)ccc2C1=O ZINC000901467699 1129927190 /nfs/dbraw/zinc/92/71/90/1129927190.db2.gz UIRNDZAWPHJNGP-JYRVWZFOSA-N 1 2 298.411 3.837 20 30 CHEDLO CC(=[NH+]Nc1c(C)cccc1F)c1ccc(N)cc1 ZINC000769839708 1129927948 /nfs/dbraw/zinc/92/79/48/1129927948.db2.gz GARZGAHIRFQPII-UHFFFAOYSA-N 1 2 257.312 3.552 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCOc2ccccc2C1=O ZINC000901472614 1129928258 /nfs/dbraw/zinc/92/82/58/1129928258.db2.gz OKWGTLVIMCTRKA-UKTHLTGXSA-N 1 2 282.343 3.513 20 30 CHEDLO COc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)CC2 ZINC000901478969 1129928789 /nfs/dbraw/zinc/92/87/89/1129928789.db2.gz YKBRGOHICWRPAA-ZSOIEALJSA-N 1 2 296.370 3.685 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2cc(F)ccc2C1=O ZINC000901481600 1129929062 /nfs/dbraw/zinc/92/90/62/1129929062.db2.gz XBWISEZTOWLGEI-JYRVWZFOSA-N 1 2 284.334 3.816 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C[C@@H](C)c2ccccc2C1=O ZINC000901486663 1129929524 /nfs/dbraw/zinc/92/95/24/1129929524.db2.gz PBFVDUQETNJYAW-FNWMBBJUSA-N 1 2 266.344 3.677 20 30 CHEDLO Cc1[nH]c(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)[nH+]c1C ZINC000901488800 1129930264 /nfs/dbraw/zinc/93/02/64/1129930264.db2.gz HUDXSCPIKKAIPH-GRRFOWRYSA-N 1 2 278.355 3.726 20 30 CHEDLO Cc1[nH]c(/C=C2/CCc3c(C)ccc(C)c3C2=O)[nH+]c1C ZINC000901489392 1129930623 /nfs/dbraw/zinc/93/06/23/1129930623.db2.gz KKZUFSSYAHMQQU-ZROIWOOFSA-N 1 2 280.371 3.856 20 30 CHEDLO CCc1cccc2c1OC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901507504 1129932542 /nfs/dbraw/zinc/93/25/42/1129932542.db2.gz WGIHNRFICJPYGZ-ZSOIEALJSA-N 1 2 296.370 3.685 20 30 CHEDLO Cc1[nH]c(/C=C2\CCCc3cc(C#N)ccc3C2=O)[nH+]c1C ZINC000901523038 1129933099 /nfs/dbraw/zinc/93/30/99/1129933099.db2.gz BMHCWNQYEQDNJF-OQLLNIDSSA-N 1 2 291.354 3.501 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000769975916 1129934188 /nfs/dbraw/zinc/93/41/88/1129934188.db2.gz OJPZBHALDFHAPZ-LBPRGKRZSA-N 1 2 262.422 3.644 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000769975916 1129934190 /nfs/dbraw/zinc/93/41/90/1129934190.db2.gz OJPZBHALDFHAPZ-LBPRGKRZSA-N 1 2 262.422 3.644 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc2c(c1)CCCO2 ZINC000901540007 1129935367 /nfs/dbraw/zinc/93/53/67/1129935367.db2.gz LUYSVEKBEREHEX-VOTSOKGWSA-N 1 2 296.370 3.685 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc(F)ccc3F)n2c1 ZINC000771851763 1129993863 /nfs/dbraw/zinc/99/38/63/1129993863.db2.gz VBXDSRNQDXALKE-XQRVVYSFSA-N 1 2 298.292 3.817 20 30 CHEDLO CCC(CC)c1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)on1 ZINC000902820849 1130062916 /nfs/dbraw/zinc/06/29/16/1130062916.db2.gz UHYRFDGSNSHNFM-GFCCVEGCSA-N 1 2 298.390 3.696 20 30 CHEDLO CC[C@H](Nc1cc(COC)cc[nH+]1)c1cccc(C#N)c1 ZINC000903043279 1130104292 /nfs/dbraw/zinc/10/42/92/1130104292.db2.gz UQNVQUNVXUNYTP-INIZCTEOSA-N 1 2 281.359 3.663 20 30 CHEDLO C=C(Br)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000746653976 1130135253 /nfs/dbraw/zinc/13/52/53/1130135253.db2.gz XDDLGFVPBIZWFU-UHFFFAOYSA-N 1 2 286.188 3.945 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000746653976 1130135255 /nfs/dbraw/zinc/13/52/55/1130135255.db2.gz XDDLGFVPBIZWFU-UHFFFAOYSA-N 1 2 286.188 3.945 20 30 CHEDLO COCc1ccccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001239952836 1130168572 /nfs/dbraw/zinc/16/85/72/1130168572.db2.gz JSKBRCDJKRYSIU-DEDYPNTBSA-N 1 2 293.370 3.593 20 30 CHEDLO CC[N@@H+](Cc1cc2ccccc2c(Cl)n1)C[C@H](C)C#N ZINC000788476757 1130189156 /nfs/dbraw/zinc/18/91/56/1130189156.db2.gz SWBPKLBAPYUZSB-GFCCVEGCSA-N 1 2 287.794 3.870 20 30 CHEDLO CC[N@H+](Cc1cc2ccccc2c(Cl)n1)C[C@H](C)C#N ZINC000788476757 1130189158 /nfs/dbraw/zinc/18/91/58/1130189158.db2.gz SWBPKLBAPYUZSB-GFCCVEGCSA-N 1 2 287.794 3.870 20 30 CHEDLO Cn1c[nH+]cc1-c1ccc(C2(C#N)CCCCC2)cc1 ZINC001243067286 1130225098 /nfs/dbraw/zinc/22/50/98/1130225098.db2.gz HRLGRTDDSNLIMB-UHFFFAOYSA-N 1 2 265.360 3.813 20 30 CHEDLO CC(C)(C)c1ccc(C#N)c(-c2ccc3[nH+]ccn3c2)n1 ZINC001240217166 1130235470 /nfs/dbraw/zinc/23/54/70/1130235470.db2.gz FJIYAEWCQPVNJK-UHFFFAOYSA-N 1 2 276.343 3.565 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4c(cccc4F)C3=O)n21 ZINC000748997180 1130259130 /nfs/dbraw/zinc/25/91/30/1130259130.db2.gz HIEWCZDWZVKEGY-XYOKQWHBSA-N 1 2 292.313 3.604 20 30 CHEDLO N#Cc1ccc(-c2ccccc2)nc1-c1ccn2cc[nH+]c2c1 ZINC001240497376 1130330220 /nfs/dbraw/zinc/33/02/20/1130330220.db2.gz YDVRDXQPAADHAA-UHFFFAOYSA-N 1 2 296.333 3.935 20 30 CHEDLO C=CC[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccccc1 ZINC000678154015 1130361261 /nfs/dbraw/zinc/36/12/61/1130361261.db2.gz KBAOGPSJVOZJDR-UHFFFAOYSA-N 1 2 295.361 3.662 20 30 CHEDLO C=CC[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccccc1 ZINC000678154015 1130361267 /nfs/dbraw/zinc/36/12/67/1130361267.db2.gz KBAOGPSJVOZJDR-UHFFFAOYSA-N 1 2 295.361 3.662 20 30 CHEDLO CC1(C)CC(Nc2cc(C3(C#N)CC3)cc[nH+]2)CC(C)(C)O1 ZINC001170361861 1130485253 /nfs/dbraw/zinc/48/52/53/1130485253.db2.gz VQUPKAHUDSMOMP-UHFFFAOYSA-N 1 2 299.418 3.785 20 30 CHEDLO N#CCOc1ccc(Nc2[nH+]cccc2C2CC2)cc1 ZINC001212606968 1130688899 /nfs/dbraw/zinc/68/88/99/1130688899.db2.gz FYVAMFBOKLAIOY-UHFFFAOYSA-N 1 2 265.316 3.605 20 30 CHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1cc(F)c(N)c(F)c1 ZINC000814813579 1130915646 /nfs/dbraw/zinc/91/56/46/1130915646.db2.gz UBWXPDDRLUOQTP-UHFFFAOYSA-N 1 2 297.255 3.661 20 30 CHEDLO COc1ccc(C#N)cc1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001236545852 1130970853 /nfs/dbraw/zinc/97/08/53/1130970853.db2.gz SSJCGUFXDYPRKH-UHFFFAOYSA-N 1 2 293.301 3.559 20 30 CHEDLO COc1ccc2sc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2c1 ZINC001236657214 1130989956 /nfs/dbraw/zinc/98/99/56/1130989956.db2.gz DCWJOXSRQSEGBP-LBPRGKRZSA-N 1 2 286.400 3.645 20 30 CHEDLO COc1ccc2sc(C[N@H+]3CCC[C@@H](C#N)C3)cc2c1 ZINC001236657214 1130989957 /nfs/dbraw/zinc/98/99/57/1130989957.db2.gz DCWJOXSRQSEGBP-LBPRGKRZSA-N 1 2 286.400 3.645 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)c(Cl)c2)C1 ZINC001236660663 1130990890 /nfs/dbraw/zinc/99/08/90/1130990890.db2.gz BIQUZLIGKRASSH-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)c(Cl)c2)C1 ZINC001236660663 1130990893 /nfs/dbraw/zinc/99/08/93/1130990893.db2.gz BIQUZLIGKRASSH-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1coc(C(C)C)n1 ZINC000799479686 1131088707 /nfs/dbraw/zinc/08/87/07/1131088707.db2.gz CAWAMXVDBRKNSE-UHFFFAOYSA-N 1 2 294.358 3.604 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816481408 1131096934 /nfs/dbraw/zinc/09/69/34/1131096934.db2.gz VAZYVDWOYKOSAC-UHFFFAOYSA-N 1 2 284.762 3.556 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816481408 1131096940 /nfs/dbraw/zinc/09/69/40/1131096940.db2.gz VAZYVDWOYKOSAC-UHFFFAOYSA-N 1 2 284.762 3.556 20 30 CHEDLO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(F)cc(F)c1O ZINC000799724951 1131106011 /nfs/dbraw/zinc/10/60/11/1131106011.db2.gz BSWIDZRIJCAHLJ-UNXYVOJBSA-N 1 2 294.345 3.651 20 30 CHEDLO COc1cccc(/C=[NH+]\CCc2ccc3[nH]ccc3c2)c1O ZINC000799743066 1131107426 /nfs/dbraw/zinc/10/74/26/1131107426.db2.gz UJICVGNVGLJNKZ-UNOMPAQXSA-N 1 2 294.354 3.544 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CC2CCC(C#N)CC2)c(O)c1 ZINC000799742714 1131107579 /nfs/dbraw/zinc/10/75/79/1131107579.db2.gz GTYKCIHROGDOTA-XDHOZWIPSA-N 1 2 286.375 3.540 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCc1ccc2[nH]ccc2c1 ZINC000799743141 1131108037 /nfs/dbraw/zinc/10/80/37/1131108037.db2.gz XGOYEMFMHMZVHB-PDGQHHTCSA-N 1 2 264.328 3.535 20 30 CHEDLO CCn1cncc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001237591648 1131117358 /nfs/dbraw/zinc/11/73/58/1131117358.db2.gz RNLUBABDPPXPRY-UHFFFAOYSA-N 1 2 288.439 3.732 20 30 CHEDLO CCn1cncc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001237591648 1131117362 /nfs/dbraw/zinc/11/73/62/1131117362.db2.gz RNLUBABDPPXPRY-UHFFFAOYSA-N 1 2 288.439 3.732 20 30 CHEDLO COc1ccc(C)c(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001237710164 1131130556 /nfs/dbraw/zinc/13/05/56/1131130556.db2.gz AVEOACOTVMLTDS-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO COc1ccc(C)c(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001237710164 1131130558 /nfs/dbraw/zinc/13/05/58/1131130558.db2.gz AVEOACOTVMLTDS-UHFFFAOYSA-N 1 2 294.398 3.920 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3sccc3C2)c1 ZINC001237749060 1131138431 /nfs/dbraw/zinc/13/84/31/1131138431.db2.gz PPTHPVJWCFFKGI-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCc3sccc3C2)c1 ZINC001237749060 1131138434 /nfs/dbraw/zinc/13/84/34/1131138434.db2.gz PPTHPVJWCFFKGI-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(COc2ccccc2)cc1 ZINC001237926100 1131152722 /nfs/dbraw/zinc/15/27/22/1131152722.db2.gz HFVJJXXQJFRJJE-UHFFFAOYSA-N 1 2 280.371 3.611 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(COc2ccccc2)cc1 ZINC001237926100 1131152725 /nfs/dbraw/zinc/15/27/25/1131152725.db2.gz HFVJJXXQJFRJJE-UHFFFAOYSA-N 1 2 280.371 3.611 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cc(Cl)c(O)cc1F ZINC001238149636 1131172539 /nfs/dbraw/zinc/17/25/39/1131172539.db2.gz KEUKVDWJWRXSOS-UHFFFAOYSA-N 1 2 257.736 3.583 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cc(Cl)c(O)cc1F ZINC001238149636 1131172544 /nfs/dbraw/zinc/17/25/44/1131172544.db2.gz KEUKVDWJWRXSOS-UHFFFAOYSA-N 1 2 257.736 3.583 20 30 CHEDLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(OCC#N)cc1 ZINC000817949085 1131189516 /nfs/dbraw/zinc/18/95/16/1131189516.db2.gz HKOIJTGOSUENNT-ZDUSSCGKSA-N 1 2 293.370 3.730 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)cc1Cl ZINC001238302704 1131189928 /nfs/dbraw/zinc/18/99/28/1131189928.db2.gz HLHBIXOIPFTBLK-LBPRGKRZSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)cc1Cl ZINC001238302704 1131189929 /nfs/dbraw/zinc/18/99/29/1131189929.db2.gz HLHBIXOIPFTBLK-LBPRGKRZSA-N 1 2 280.774 3.913 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cnc(OC(C)C)c(C)c1 ZINC001238390727 1131194894 /nfs/dbraw/zinc/19/48/94/1131194894.db2.gz MWJMLADRCZBBSU-UHFFFAOYSA-N 1 2 289.423 3.693 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cnc(OC(C)C)c(C)c1 ZINC001238390727 1131194900 /nfs/dbraw/zinc/19/49/00/1131194900.db2.gz MWJMLADRCZBBSU-UHFFFAOYSA-N 1 2 289.423 3.693 20 30 CHEDLO Cc1c(Cl)ccc(C[NH+]2CCC(C#N)CC2)c1F ZINC001238511445 1131210353 /nfs/dbraw/zinc/21/03/53/1131210353.db2.gz DNKJFYSMYOSVRB-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1O ZINC000818355099 1131210666 /nfs/dbraw/zinc/21/06/66/1131210666.db2.gz CBICDSZATFJABV-MISXGVKJSA-N 1 2 278.783 3.779 20 30 CHEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)c[nH+]c1C ZINC001171063103 1131480615 /nfs/dbraw/zinc/48/06/15/1131480615.db2.gz QONCBBUJCJTNPE-QGZVFWFLSA-N 1 2 263.344 3.670 20 30 CHEDLO COc1ccc([N@H+](CCCCC#N)CC2CC2)cc1 ZINC000831588397 1131491604 /nfs/dbraw/zinc/49/16/04/1131491604.db2.gz ZYCCRVHULOQIRL-UHFFFAOYSA-N 1 2 258.365 3.605 20 30 CHEDLO COc1ccc([N@@H+](CCCCC#N)CC2CC2)cc1 ZINC000831588397 1131491606 /nfs/dbraw/zinc/49/16/06/1131491606.db2.gz ZYCCRVHULOQIRL-UHFFFAOYSA-N 1 2 258.365 3.605 20 30 CHEDLO N#Cc1cccc(Cl)c1C[NH+]1CC(c2ccccc2)C1 ZINC001143730768 1131528308 /nfs/dbraw/zinc/52/83/08/1131528308.db2.gz AQNAWMDVPBLAFW-UHFFFAOYSA-N 1 2 282.774 3.811 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139064577 1131578214 /nfs/dbraw/zinc/57/82/14/1131578214.db2.gz CHUPHCLWTXDUQR-UHFFFAOYSA-N 1 2 268.335 3.838 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139064577 1131578218 /nfs/dbraw/zinc/57/82/18/1131578218.db2.gz CHUPHCLWTXDUQR-UHFFFAOYSA-N 1 2 268.335 3.838 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc(F)c1F ZINC001139878316 1131644932 /nfs/dbraw/zinc/64/49/32/1131644932.db2.gz HVPQIYAXHVIHQN-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc(F)c1F ZINC001139878316 1131644933 /nfs/dbraw/zinc/64/49/33/1131644933.db2.gz HVPQIYAXHVIHQN-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144658486 1131679287 /nfs/dbraw/zinc/67/92/87/1131679287.db2.gz YOLFDCZSCBSADN-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)cc1F ZINC001144658486 1131679289 /nfs/dbraw/zinc/67/92/89/1131679289.db2.gz YOLFDCZSCBSADN-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO CCCCCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000834701528 1131695364 /nfs/dbraw/zinc/69/53/64/1131695364.db2.gz DUKVWGSIVDMBLY-INIZCTEOSA-N 1 2 290.386 3.593 20 30 CHEDLO CCCCCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000834701528 1131695368 /nfs/dbraw/zinc/69/53/68/1131695368.db2.gz DUKVWGSIVDMBLY-INIZCTEOSA-N 1 2 290.386 3.593 20 30 CHEDLO N#CCC[N@H+](Cc1ccnn1-c1ccccc1)C1CCCC1 ZINC001140527087 1131779358 /nfs/dbraw/zinc/77/93/58/1131779358.db2.gz KIBHSSDZPMGHNQ-UHFFFAOYSA-N 1 2 294.402 3.531 20 30 CHEDLO N#CCC[N@@H+](Cc1ccnn1-c1ccccc1)C1CCCC1 ZINC001140527087 1131779366 /nfs/dbraw/zinc/77/93/66/1131779366.db2.gz KIBHSSDZPMGHNQ-UHFFFAOYSA-N 1 2 294.402 3.531 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140546742 1131788623 /nfs/dbraw/zinc/78/86/23/1131788623.db2.gz SJMRTLAXEHGBFK-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140546742 1131788626 /nfs/dbraw/zinc/78/86/26/1131788626.db2.gz SJMRTLAXEHGBFK-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1[nH]c2ccc(O[C@H](C)CC(C)(C)S)cc2[nH+]1 ZINC001228329538 1131858424 /nfs/dbraw/zinc/85/84/24/1131858424.db2.gz NAMLJIBNNXCCDD-SECBINFHSA-N 1 2 264.394 3.737 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141001878 1131981121 /nfs/dbraw/zinc/98/11/21/1131981121.db2.gz FJJGCHWAUHBXEC-ZDUSSCGKSA-N 1 2 283.400 3.546 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141001878 1131981130 /nfs/dbraw/zinc/98/11/30/1131981130.db2.gz FJJGCHWAUHBXEC-ZDUSSCGKSA-N 1 2 283.400 3.546 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001141154519 1132030034 /nfs/dbraw/zinc/03/00/34/1132030034.db2.gz COWMXJKGBZZYNO-UHFFFAOYSA-N 1 2 296.317 3.524 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001141154519 1132030045 /nfs/dbraw/zinc/03/00/45/1132030045.db2.gz COWMXJKGBZZYNO-UHFFFAOYSA-N 1 2 296.317 3.524 20 30 CHEDLO CCCC[N@H+](CC#N)[C@H](C)CCc1ccc(C)cc1 ZINC001171681219 1132078270 /nfs/dbraw/zinc/07/82/70/1132078270.db2.gz YZAVDOADVZWOFE-MRXNPFEDSA-N 1 2 258.409 3.942 20 30 CHEDLO CCCC[N@@H+](CC#N)[C@H](C)CCc1ccc(C)cc1 ZINC001171681219 1132078276 /nfs/dbraw/zinc/07/82/76/1132078276.db2.gz YZAVDOADVZWOFE-MRXNPFEDSA-N 1 2 258.409 3.942 20 30 CHEDLO CCCCCCC[C@H](CC)[NH2+]C1(C(=O)OCC)CC1 ZINC001172347106 1132180976 /nfs/dbraw/zinc/18/09/76/1132180976.db2.gz RFIWVYIIOKCUQF-AWEZNQCLSA-N 1 2 269.429 3.811 20 30 CHEDLO CC(=NOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000839418945 1132206567 /nfs/dbraw/zinc/20/65/67/1132206567.db2.gz IDSHBKCVEBTCHJ-UHFFFAOYSA-N 1 2 291.354 3.813 20 30 CHEDLO CCN(CC)c1ncc(C=[NH+]OCc2ccccc2)s1 ZINC000839419800 1132206850 /nfs/dbraw/zinc/20/68/50/1132206850.db2.gz NHCHYABYMFINOL-UHFFFAOYSA-N 1 2 289.404 3.540 20 30 CHEDLO C=C(C)C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(=C)C ZINC001230921046 1132227144 /nfs/dbraw/zinc/22/71/44/1132227144.db2.gz CUJRORAPIDDARE-INIZCTEOSA-N 1 2 271.360 3.657 20 30 CHEDLO C#C[C@@H](CC(C)C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083360 1132253567 /nfs/dbraw/zinc/25/35/67/1132253567.db2.gz JNGVUYKGPAIKSX-HNNXBMFYSA-N 1 2 268.360 3.514 20 30 CHEDLO CC1(C#N)C[NH+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001172820740 1132317790 /nfs/dbraw/zinc/31/77/90/1132317790.db2.gz CUHFLROSKLPRBO-UHFFFAOYSA-N 1 2 268.404 3.633 20 30 CHEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212695939 1132376120 /nfs/dbraw/zinc/37/61/20/1132376120.db2.gz YXDBVSZVAFRDAQ-UHFFFAOYSA-N 1 2 274.327 3.547 20 30 CHEDLO N#CC1([NH2+]C2CCC3(CCCCC3)CC2)CCOCC1 ZINC001173118476 1132398947 /nfs/dbraw/zinc/39/89/47/1132398947.db2.gz OQQSGSBOSVSNMX-UHFFFAOYSA-N 1 2 276.424 3.542 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cccc(C)c1OC(C)C ZINC001232390674 1132463873 /nfs/dbraw/zinc/46/38/73/1132463873.db2.gz DDJLWMFXJDLSSV-UHFFFAOYSA-N 1 2 274.408 3.908 20 30 CHEDLO Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001232398705 1132465777 /nfs/dbraw/zinc/46/57/77/1132465777.db2.gz CDFWGVZJKIKXQJ-QGZVFWFLSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001232398705 1132465780 /nfs/dbraw/zinc/46/57/80/1132465780.db2.gz CDFWGVZJKIKXQJ-QGZVFWFLSA-N 1 2 272.392 3.518 20 30 CHEDLO N#Cc1ccc2c(C[N@H+]3Cc4ccc(F)cc4C3)c[nH]c2c1 ZINC001142920816 1132477157 /nfs/dbraw/zinc/47/71/57/1132477157.db2.gz CVFYVJQHOINNIG-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO N#Cc1ccc2c(C[N@@H+]3Cc4ccc(F)cc4C3)c[nH]c2c1 ZINC001142920816 1132477162 /nfs/dbraw/zinc/47/71/62/1132477162.db2.gz CVFYVJQHOINNIG-UHFFFAOYSA-N 1 2 291.329 3.694 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)Cc2ccccc21 ZINC001143164856 1132511537 /nfs/dbraw/zinc/51/15/37/1132511537.db2.gz PEXVLOQOOVNGON-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)Cc2ccccc21 ZINC001143164856 1132511540 /nfs/dbraw/zinc/51/15/40/1132511540.db2.gz PEXVLOQOOVNGON-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1Cl ZINC001232877433 1132535844 /nfs/dbraw/zinc/53/58/44/1132535844.db2.gz IUIFTGIUDJKNMP-WLLOZRIZSA-N 1 2 296.748 3.885 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1Cl ZINC001232877433 1132535848 /nfs/dbraw/zinc/53/58/48/1132535848.db2.gz IUIFTGIUDJKNMP-WLLOZRIZSA-N 1 2 296.748 3.885 20 30 CHEDLO N#Cc1cc[nH]c1C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001233048099 1132567752 /nfs/dbraw/zinc/56/77/52/1132567752.db2.gz VUMBYIORRKBXPB-UHFFFAOYSA-N 1 2 299.805 3.919 20 30 CHEDLO N#CCc1cc[nH+]c(N[C@H](c2ccccc2)C2CC2)c1 ZINC001154644669 1132619102 /nfs/dbraw/zinc/61/91/02/1132619102.db2.gz HVMJZMIEUJRWLM-QGZVFWFLSA-N 1 2 263.344 3.711 20 30 CHEDLO N#CCCCCNc1[nH+]cnc2[nH]c3ccc(Cl)cc3c21 ZINC001157641827 1132736884 /nfs/dbraw/zinc/73/68/84/1132736884.db2.gz JQJWXAUPTNUDAY-UHFFFAOYSA-N 1 2 299.765 3.870 20 30 CHEDLO C=CCN(c1cc(C)[nH+]c(CC)n1)C1CCCCC1 ZINC001157850702 1132748618 /nfs/dbraw/zinc/74/86/18/1132748618.db2.gz QXYBRXJSTARDMR-UHFFFAOYSA-N 1 2 259.397 3.673 20 30 CHEDLO CC(C)Oc1cc[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001158953635 1132799716 /nfs/dbraw/zinc/79/97/16/1132799716.db2.gz ICFJUCRMUAMFDO-UHFFFAOYSA-N 1 2 274.364 3.554 20 30 CHEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1Cl ZINC001174400963 1132815305 /nfs/dbraw/zinc/81/53/05/1132815305.db2.gz WMSKLOZSELWIOO-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1cc(C#N)c(F)cc1Nc1cc[nH+]c2[nH]ccc21 ZINC001174415691 1132855623 /nfs/dbraw/zinc/85/56/23/1132855623.db2.gz QXUMURIPOCUVNI-UHFFFAOYSA-N 1 2 266.279 3.577 20 30 CHEDLO Cc1ccc([C@H](C)Nc2cc(CC#N)cc[nH+]2)c(C)c1 ZINC001159632704 1132879635 /nfs/dbraw/zinc/87/96/35/1132879635.db2.gz FZZPRXFAVNGIMJ-AWEZNQCLSA-N 1 2 265.360 3.938 20 30 CHEDLO N#Cc1sccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174521895 1132911887 /nfs/dbraw/zinc/91/18/87/1132911887.db2.gz BHGSRXNBXRPIPK-UHFFFAOYSA-N 1 2 284.388 3.749 20 30 CHEDLO Cc1cnc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1C ZINC001160026182 1132936421 /nfs/dbraw/zinc/93/64/21/1132936421.db2.gz PSVSXIJHZQBWIV-UHFFFAOYSA-N 1 2 291.354 3.594 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cccc3sccc32)c1 ZINC001160186906 1132944936 /nfs/dbraw/zinc/94/49/36/1132944936.db2.gz JCIIZCNPGCTCAJ-UHFFFAOYSA-N 1 2 279.368 3.974 20 30 CHEDLO Cc1sc(Nc2cccc3[nH+]c[nH]c32)c(C#N)c1C ZINC001213027382 1132986427 /nfs/dbraw/zinc/98/64/27/1132986427.db2.gz XFFKDQOFTDTXMJ-UHFFFAOYSA-N 1 2 268.345 3.857 20 30 CHEDLO Cc1cccc2c(C)cc(NCc3cncc(C#N)c3)[nH+]c12 ZINC001160989535 1132989132 /nfs/dbraw/zinc/98/91/32/1132989132.db2.gz CDWURRJXEUHNMH-UHFFFAOYSA-N 1 2 288.354 3.730 20 30 CHEDLO C#C[C@H](Nc1nc(C)[nH+]c2c1CCCC2)c1ccc(F)cc1 ZINC001163363320 1133145273 /nfs/dbraw/zinc/14/52/73/1133145273.db2.gz KDXUETWMPURXDK-INIZCTEOSA-N 1 2 295.361 3.589 20 30 CHEDLO C#CCNc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001163368428 1133145388 /nfs/dbraw/zinc/14/53/88/1133145388.db2.gz YGDHAKJFGUAOKV-UHFFFAOYSA-N 1 2 281.746 3.700 20 30 CHEDLO Cc1ccnc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1C ZINC001163678273 1133164781 /nfs/dbraw/zinc/16/47/81/1133164781.db2.gz GNJJOPRJOMHJPJ-UHFFFAOYSA-N 1 2 293.292 3.754 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(CC(F)C4)CC3)c2c1 ZINC001165308656 1133237710 /nfs/dbraw/zinc/23/77/10/1133237710.db2.gz BLDOKNJPFVLVLB-UHFFFAOYSA-N 1 2 295.361 3.825 20 30 CHEDLO CC(C)c1ccc(N(C)Cc2ccc(C#N)cc2)[nH+]c1 ZINC001166539519 1133269350 /nfs/dbraw/zinc/26/93/50/1133269350.db2.gz DZBNKVWULUWFMX-UHFFFAOYSA-N 1 2 265.360 3.713 20 30 CHEDLO CCSc1cc[nH+]c(N(C)Cc2ccc(C#N)cc2)c1 ZINC001166540426 1133269815 /nfs/dbraw/zinc/26/98/15/1133269815.db2.gz WOGWSTLCQQWHAN-UHFFFAOYSA-N 1 2 283.400 3.702 20 30 CHEDLO CNc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)c[nH+]1 ZINC001203457978 1133329727 /nfs/dbraw/zinc/32/97/27/1133329727.db2.gz FTNTWUWQFWOQKG-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO Cc1nc(C#N)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718229 1133358544 /nfs/dbraw/zinc/35/85/44/1133358544.db2.gz XBEMEHCLCAGEJH-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1ccc(O)c(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001203719697 1133358738 /nfs/dbraw/zinc/35/87/38/1133358738.db2.gz STIFNNMMRAKSSF-UHFFFAOYSA-N 1 2 293.370 3.998 20 30 CHEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001204971713 1133509969 /nfs/dbraw/zinc/50/99/69/1133509969.db2.gz NHLZYDCZPVVJSO-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1ccn2cc[nH+]c2c1 ZINC001204982651 1133511705 /nfs/dbraw/zinc/51/17/05/1133511705.db2.gz CEVKFALCJMJFFP-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO N#Cc1nc2ccc(Nc3ccn4cc[nH+]c4c3)cc2s1 ZINC001204983020 1133513376 /nfs/dbraw/zinc/51/33/76/1133513376.db2.gz LXLPQWWQQFMUNG-UHFFFAOYSA-N 1 2 291.339 3.559 20 30 CHEDLO C=CCC[C@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205907707 1133628505 /nfs/dbraw/zinc/62/85/05/1133628505.db2.gz NLWRRWWDKZFBDI-HNNXBMFYSA-N 1 2 287.407 3.969 20 30 CHEDLO N#Cc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC001209543891 1134037438 /nfs/dbraw/zinc/03/74/38/1134037438.db2.gz AZEKDGVHNVCTNP-UHFFFAOYSA-N 1 2 280.718 3.898 20 30 CHEDLO Cc1cc(Nc2ccc(C#N)cc2)ccc1[NH+](C)C ZINC001210040815 1134131432 /nfs/dbraw/zinc/13/14/32/1134131432.db2.gz CEXMSFWLBJXTDF-UHFFFAOYSA-N 1 2 251.333 3.676 20 30 CHEDLO Cc1cc(Nc2ccc(F)cc2C#N)ccc1[NH+](C)C ZINC001210042839 1134132044 /nfs/dbraw/zinc/13/20/44/1134132044.db2.gz DLHXYTDTNXXMBZ-UHFFFAOYSA-N 1 2 269.323 3.815 20 30 CHEDLO Cc1nsc(Nc2ccc3c[nH+]ccc3c2)c1C#N ZINC001210043502 1134133148 /nfs/dbraw/zinc/13/31/48/1134133148.db2.gz FOEDBISLEIKHBC-UHFFFAOYSA-N 1 2 266.329 3.615 20 30 CHEDLO Cc1ccc2c(Nc3cncc(C#N)c3)cccc2[nH+]1 ZINC001210089782 1134143982 /nfs/dbraw/zinc/14/39/82/1134143982.db2.gz UZZIPLIHYMAWRF-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1ccc2c(Nc3cccnc3C#N)cccc2[nH+]1 ZINC001210146961 1134156390 /nfs/dbraw/zinc/15/63/90/1134156390.db2.gz LRGRCDNNTLTOAC-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1nc(C#N)ccc1Nc1cccc2cc[nH+]cc21 ZINC001210224532 1134172965 /nfs/dbraw/zinc/17/29/65/1134172965.db2.gz QYDPJMXEAQRWSJ-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C(C)C)cc2C#N)cc1N ZINC001210291314 1134187945 /nfs/dbraw/zinc/18/79/45/1134187945.db2.gz ZZZRFANVZOIGSS-UHFFFAOYSA-N 1 2 266.348 3.711 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C(C)(C)C#N)cc2)cc1N ZINC001210291283 1134188102 /nfs/dbraw/zinc/18/81/02/1134188102.db2.gz YKNSXEAZVASGCV-UHFFFAOYSA-N 1 2 266.348 3.517 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001210550474 1134246341 /nfs/dbraw/zinc/24/63/41/1134246341.db2.gz IRZCPBSINONJLC-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1sccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086046 1134424108 /nfs/dbraw/zinc/42/41/08/1134424108.db2.gz FIRDZRZQZCQBQN-UHFFFAOYSA-N 1 2 266.329 3.753 20 30 CHEDLO C#Cc1ccccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090189 1134425504 /nfs/dbraw/zinc/42/55/04/1134425504.db2.gz YQFOLHCSIJBVIW-UHFFFAOYSA-N 1 2 259.312 3.802 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1C#N ZINC001213090068 1134425541 /nfs/dbraw/zinc/42/55/41/1134425541.db2.gz SDAHWVVVLJYTAW-UHFFFAOYSA-N 1 2 285.310 3.564 20 30 CHEDLO N#Cc1ccc(F)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213089907 1134426077 /nfs/dbraw/zinc/42/60/77/1134426077.db2.gz KRBOYLFSTVBKOI-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO COc1ccc(Nc2cc(C3CC3)c[nH+]c2C)cc1C#N ZINC001213499071 1134454859 /nfs/dbraw/zinc/45/48/59/1134454859.db2.gz AZNNPJQQBINOAC-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1cc(C)c(Nc2cc(F)c(C#N)cc2F)c[nH+]1 ZINC001213513525 1134458054 /nfs/dbraw/zinc/45/80/54/1134458054.db2.gz SFLWHLKSMCXUEH-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C#Cc1cc(Nc2ccc(C3CC3)cc2Cl)cc[nH+]1 ZINC001213856007 1134491059 /nfs/dbraw/zinc/49/10/59/1134491059.db2.gz XQECKQYTNINHNW-UHFFFAOYSA-N 1 2 268.747 3.759 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1cccc2[nH+]ccn21 ZINC001215645569 1134655592 /nfs/dbraw/zinc/65/55/92/1134655592.db2.gz QKBHNRDMBOQRKC-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)c(Cl)c2)c1 ZINC000404466959 1134946655 /nfs/dbraw/zinc/94/66/55/1134946655.db2.gz BPTRNIUCYLZENC-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cc(CO[C@@H](CC#N)c2ccccc2)cc(C)[nH+]1 ZINC001223426176 1135344810 /nfs/dbraw/zinc/34/48/10/1135344810.db2.gz ZROJNQIAMJPIRL-KRWDZBQOSA-N 1 2 266.344 3.870 20 30 CHEDLO C=C[C@@H](C#CC(C)(C)C)OCCCCC(=[NH2+])OCC ZINC001224964587 1135497378 /nfs/dbraw/zinc/49/73/78/1135497378.db2.gz ALTWUMSDICATFK-AWEZNQCLSA-N 1 2 265.397 3.791 20 30 CHEDLO CCc1[nH+]c(C)ccc1OCc1ccc(CC#N)cc1 ZINC000352562292 529730348 /nfs/dbraw/zinc/73/03/48/529730348.db2.gz JEXWGQCWDKDNBV-UHFFFAOYSA-N 1 2 266.344 3.598 20 30 CHEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(F)c1 ZINC000122314816 187026494 /nfs/dbraw/zinc/02/64/94/187026494.db2.gz LZPNWMVSOCKUTQ-UHFFFAOYSA-N 1 2 293.345 3.582 20 30 CHEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(F)c1 ZINC000122314816 187026495 /nfs/dbraw/zinc/02/64/95/187026495.db2.gz LZPNWMVSOCKUTQ-UHFFFAOYSA-N 1 2 293.345 3.582 20 30 CHEDLO N#Cc1cccc(C2([NH2+]Cc3c(F)cccc3F)CC2)c1 ZINC000341972897 130184292 /nfs/dbraw/zinc/18/42/92/130184292.db2.gz PFCNFYXVQSTTDQ-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO C#CC[N@@H+](Cc1nccn1C(C)C)[C@H]1CCc2ccccc21 ZINC000171626839 335072658 /nfs/dbraw/zinc/07/26/58/335072658.db2.gz CWKLZMOWHJJZAN-SFHVURJKSA-N 1 2 293.414 3.587 20 30 CHEDLO C#CC[N@H+](Cc1nccn1C(C)C)[C@H]1CCc2ccccc21 ZINC000171626839 335072659 /nfs/dbraw/zinc/07/26/59/335072659.db2.gz CWKLZMOWHJJZAN-SFHVURJKSA-N 1 2 293.414 3.587 20 30 CHEDLO C#CCN(Cc1[nH+]ccn1C(C)C)[C@H]1CCc2ccccc21 ZINC000171626839 335072660 /nfs/dbraw/zinc/07/26/60/335072660.db2.gz CWKLZMOWHJJZAN-SFHVURJKSA-N 1 2 293.414 3.587 20 30 CHEDLO C[C@H]([NH2+]CCC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000347196302 226081766 /nfs/dbraw/zinc/08/17/66/226081766.db2.gz AKEFZQKTKDEDSV-LBPRGKRZSA-N 1 2 290.411 3.708 20 30 CHEDLO N#CCC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000336507397 227078301 /nfs/dbraw/zinc/07/83/01/227078301.db2.gz BQILYHQHVXCHPP-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CCc1nc(C[NH2+][C@H](CCC#N)c2ccccc2)cs1 ZINC000130436495 260856022 /nfs/dbraw/zinc/85/60/22/260856022.db2.gz VLAPJKKKNBNMEX-OAHLLOKOSA-N 1 2 285.416 3.840 20 30 CHEDLO CC(C)(C#N)CCC[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000154092462 261087460 /nfs/dbraw/zinc/08/74/60/261087460.db2.gz FPAVBXDZVNEHHF-INIZCTEOSA-N 1 2 288.391 3.596 20 30 CHEDLO COc1ccc2c(c1)C[N@@H+](CCC#N)[C@H](c1ccccc1)C2 ZINC000164941665 261362387 /nfs/dbraw/zinc/36/23/87/261362387.db2.gz ZQKCWDYMUGKWMD-IBGZPJMESA-N 1 2 292.382 3.708 20 30 CHEDLO COc1ccc2c(c1)C[N@H+](CCC#N)[C@H](c1ccccc1)C2 ZINC000164941665 261362390 /nfs/dbraw/zinc/36/23/90/261362390.db2.gz ZQKCWDYMUGKWMD-IBGZPJMESA-N 1 2 292.382 3.708 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184085130 262008046 /nfs/dbraw/zinc/00/80/46/262008046.db2.gz UVFVURNJXLJJDW-ZDUSSCGKSA-N 1 2 299.330 3.637 20 30 CHEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cs1 ZINC000184737613 262027964 /nfs/dbraw/zinc/02/79/64/262027964.db2.gz URKXSWIHJOALPW-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO COCCOc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185729694 262068708 /nfs/dbraw/zinc/06/87/08/262068708.db2.gz WZBQAHUZKKOSOS-HUUCEWRRSA-N 1 2 288.391 3.515 20 30 CHEDLO CC(C)(CCC#N)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000120492211 262198528 /nfs/dbraw/zinc/19/85/28/262198528.db2.gz GJBYFTZDCCGTRB-UHFFFAOYSA-N 1 2 268.364 3.614 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)C#N ZINC000354018425 262276393 /nfs/dbraw/zinc/27/63/93/262276393.db2.gz PYRKIOCJMWHFCZ-UHFFFAOYSA-N 1 2 295.308 3.559 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)C#N ZINC000354018425 262276395 /nfs/dbraw/zinc/27/63/95/262276395.db2.gz PYRKIOCJMWHFCZ-UHFFFAOYSA-N 1 2 295.308 3.559 20 30 CHEDLO N#CCCCC[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000278372021 263047446 /nfs/dbraw/zinc/04/74/46/263047446.db2.gz SPZBZUBJALTEBJ-UHFFFAOYSA-N 1 2 287.794 3.804 20 30 CHEDLO N#CCCCC[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000278372021 263047447 /nfs/dbraw/zinc/04/74/47/263047447.db2.gz SPZBZUBJALTEBJ-UHFFFAOYSA-N 1 2 287.794 3.804 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280263271 263059968 /nfs/dbraw/zinc/05/99/68/263059968.db2.gz PYIFTTMCDIFDEL-CQSZACIVSA-N 1 2 299.805 3.873 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280263271 263059969 /nfs/dbraw/zinc/05/99/69/263059969.db2.gz PYIFTTMCDIFDEL-CQSZACIVSA-N 1 2 299.805 3.873 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280620979 263063476 /nfs/dbraw/zinc/06/34/76/263063476.db2.gz BQVKFIBXVARQDY-UHFFFAOYSA-N 1 2 294.402 3.585 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280620979 263063477 /nfs/dbraw/zinc/06/34/77/263063477.db2.gz BQVKFIBXVARQDY-UHFFFAOYSA-N 1 2 294.402 3.585 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CC2CCC(C#N)CC2)c1 ZINC000281802334 263071805 /nfs/dbraw/zinc/07/18/05/263071805.db2.gz PHFSXUOUAYMCLC-XDHOZWIPSA-N 1 2 286.375 3.540 20 30 CHEDLO N#CC[N@H+](Cc1ccc2occc2c1)C1CCCC1 ZINC000290181851 263115075 /nfs/dbraw/zinc/11/50/75/263115075.db2.gz ZFOLKOWKHCALQG-UHFFFAOYSA-N 1 2 254.333 3.701 20 30 CHEDLO N#CC[N@@H+](Cc1ccc2occc2c1)C1CCCC1 ZINC000290181851 263115076 /nfs/dbraw/zinc/11/50/76/263115076.db2.gz ZFOLKOWKHCALQG-UHFFFAOYSA-N 1 2 254.333 3.701 20 30 CHEDLO C=CC[N@@H+](CCC#N)C/C(C)=C/c1ccccc1COC ZINC000353584474 263198133 /nfs/dbraw/zinc/19/81/33/263198133.db2.gz HBXRTWZQMFSPCC-DTQAZKPQSA-N 1 2 284.403 3.638 20 30 CHEDLO C=CC[N@H+](CCC#N)C/C(C)=C/c1ccccc1COC ZINC000353584474 263198135 /nfs/dbraw/zinc/19/81/35/263198135.db2.gz HBXRTWZQMFSPCC-DTQAZKPQSA-N 1 2 284.403 3.638 20 30 CHEDLO C=C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000341990478 263382092 /nfs/dbraw/zinc/38/20/92/263382092.db2.gz CPPQTLJUXOOJCS-UHFFFAOYSA-N 1 2 289.766 3.542 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000341990624 263382295 /nfs/dbraw/zinc/38/22/95/263382295.db2.gz DFSOBAJSYCBKRV-UHFFFAOYSA-N 1 2 272.323 3.633 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000334302777 263570665 /nfs/dbraw/zinc/57/06/65/263570665.db2.gz FNRWUZBKFGOCNY-UHFFFAOYSA-N 1 2 288.338 3.893 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nc(C(C)C)no1)c1ccccc1 ZINC000180039115 264390188 /nfs/dbraw/zinc/39/01/88/264390188.db2.gz SHPPSRBMPCJBSE-HNNXBMFYSA-N 1 2 285.391 3.990 20 30 CHEDLO C=CCC(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000293436942 264941057 /nfs/dbraw/zinc/94/10/57/264941057.db2.gz OIEWBLSSYZYFTI-UHFFFAOYSA-N 1 2 269.348 3.618 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356232152 266078528 /nfs/dbraw/zinc/07/85/28/266078528.db2.gz OXORYUZMMSFIGD-UHFFFAOYSA-N 1 2 280.293 3.729 20 30 CHEDLO CC[N@@H+](CCC#N)CCOc1c(Cl)cccc1Cl ZINC000357935302 266387000 /nfs/dbraw/zinc/38/70/00/266387000.db2.gz ULOPNWNBOUDLSB-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO CC[N@H+](CCC#N)CCOc1c(Cl)cccc1Cl ZINC000357935302 266387005 /nfs/dbraw/zinc/38/70/05/266387005.db2.gz ULOPNWNBOUDLSB-UHFFFAOYSA-N 1 2 287.190 3.608 20 30 CHEDLO Cc1nc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000363285505 267085043 /nfs/dbraw/zinc/08/50/43/267085043.db2.gz LXFFODMECXWJPW-SJORKVTESA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1nc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000363285505 267085044 /nfs/dbraw/zinc/08/50/44/267085044.db2.gz LXFFODMECXWJPW-SJORKVTESA-N 1 2 297.427 3.723 20 30 CHEDLO C=CC[C@@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000116858839 267184062 /nfs/dbraw/zinc/18/40/62/267184062.db2.gz HSJLQOICCZTQTK-CQSZACIVSA-N 1 2 296.370 3.877 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCC1 ZINC000418141784 267364109 /nfs/dbraw/zinc/36/41/09/267364109.db2.gz LTCYRIFRDVQMJK-UHFFFAOYSA-N 1 2 286.272 3.628 20 30 CHEDLO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144922 267366035 /nfs/dbraw/zinc/36/60/35/267366035.db2.gz VTXOPEZOKBOMPO-UHFFFAOYSA-N 1 2 299.201 3.785 20 30 CHEDLO C=C(C)CN(CC)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112629058 327962238 /nfs/dbraw/zinc/96/22/38/327962238.db2.gz GQCBXDHXFMIVTQ-UHFFFAOYSA-N 1 2 296.370 3.912 20 30 CHEDLO C=C[C@@H](CC(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000534000244 328030980 /nfs/dbraw/zinc/03/09/80/328030980.db2.gz MZVBPQZYRPJBLV-AWEZNQCLSA-N 1 2 291.354 3.633 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc(C)c(C)s1 ZINC000176388384 329175119 /nfs/dbraw/zinc/17/51/19/329175119.db2.gz BZYUKSDJZVPLBJ-UHFFFAOYSA-N 1 2 279.453 3.912 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc(C)c(C)s1 ZINC000176388384 329175120 /nfs/dbraw/zinc/17/51/20/329175120.db2.gz BZYUKSDJZVPLBJ-UHFFFAOYSA-N 1 2 279.453 3.912 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000569118932 327035732 /nfs/dbraw/zinc/03/57/32/327035732.db2.gz XULQEKZCJJCHMX-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000569118932 327035733 /nfs/dbraw/zinc/03/57/33/327035733.db2.gz XULQEKZCJJCHMX-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO COc1ccc(C#N)cc1CSc1[nH+]cc2ccccn21 ZINC000152674258 327078432 /nfs/dbraw/zinc/07/84/32/327078432.db2.gz ABNLHWVWVXMYBC-UHFFFAOYSA-N 1 2 295.367 3.507 20 30 CHEDLO CC#CC[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000559458846 327246396 /nfs/dbraw/zinc/24/63/96/327246396.db2.gz KQEHJOIRWDGCFP-UHFFFAOYSA-N 1 2 288.778 3.759 20 30 CHEDLO CC#CC[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000559458846 327246397 /nfs/dbraw/zinc/24/63/97/327246397.db2.gz KQEHJOIRWDGCFP-UHFFFAOYSA-N 1 2 288.778 3.759 20 30 CHEDLO CC#CC[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000559465973 327246991 /nfs/dbraw/zinc/24/69/91/327246991.db2.gz VLGWDUTVOQYQSU-UHFFFAOYSA-N 1 2 290.819 3.919 20 30 CHEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000559465973 327246992 /nfs/dbraw/zinc/24/69/92/327246992.db2.gz VLGWDUTVOQYQSU-UHFFFAOYSA-N 1 2 290.819 3.919 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)c1C ZINC000564662016 327248633 /nfs/dbraw/zinc/24/86/33/327248633.db2.gz UYAVNZLNGDNLJD-ZBFHGGJFSA-N 1 2 280.375 3.593 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC000560152815 327287572 /nfs/dbraw/zinc/28/75/72/327287572.db2.gz YAJHTAYWAMQSQU-CQSZACIVSA-N 1 2 297.345 3.612 20 30 CHEDLO COc1cc(-c2ccccc2)ccc1C[NH2+]CC1(C#N)CC1 ZINC000562384628 327477273 /nfs/dbraw/zinc/47/72/73/327477273.db2.gz ZLADOPMTSPDMLE-UHFFFAOYSA-N 1 2 292.382 3.756 20 30 CHEDLO Cc1cc(N2CC[C@@H](CC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000399494296 328845507 /nfs/dbraw/zinc/84/55/07/328845507.db2.gz IVWWBCQFFLJWRD-ZDUSSCGKSA-N 1 2 257.381 3.524 20 30 CHEDLO N#Cc1csc(CNc2[nH+]cccc2-c2ccccc2)n1 ZINC000357712928 328874781 /nfs/dbraw/zinc/87/47/81/328874781.db2.gz RTMJWUVVQRRYMR-UHFFFAOYSA-N 1 2 292.367 3.689 20 30 CHEDLO C=CCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000171434481 329075308 /nfs/dbraw/zinc/07/53/08/329075308.db2.gz YOULISNQSLBHNO-UHFFFAOYSA-N 1 2 295.386 3.791 20 30 CHEDLO C=C(C)[C@@H](NCc1[nH]c(C)c(C)[nH+]1)c1ccc(F)c(F)c1 ZINC000582857115 329281519 /nfs/dbraw/zinc/28/15/19/329281519.db2.gz INKNGPMFTPQDPF-MRXNPFEDSA-N 1 2 291.345 3.712 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1nc(C)c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000582857115 329281521 /nfs/dbraw/zinc/28/15/21/329281521.db2.gz INKNGPMFTPQDPF-MRXNPFEDSA-N 1 2 291.345 3.712 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1nccn1CC)c1ccc(F)c(F)c1 ZINC000187373613 329356837 /nfs/dbraw/zinc/35/68/37/329356837.db2.gz UXBQMYGZEOZYGB-MRXNPFEDSA-N 1 2 291.345 3.588 20 30 CHEDLO CCc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000063750728 329399319 /nfs/dbraw/zinc/39/93/19/329399319.db2.gz JJCNZABKBNWUNY-UHFFFAOYSA-N 1 2 299.443 3.988 20 30 CHEDLO CCc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000063750728 329399321 /nfs/dbraw/zinc/39/93/21/329399321.db2.gz JJCNZABKBNWUNY-UHFFFAOYSA-N 1 2 299.443 3.988 20 30 CHEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000192182682 329430351 /nfs/dbraw/zinc/43/03/51/329430351.db2.gz FVDHJLOTRXVKHS-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO Cc1cc(N2CCC(OC3CCCCC3)CC2)c(C#N)c[nH+]1 ZINC000425217681 329642142 /nfs/dbraw/zinc/64/21/42/329642142.db2.gz BUNWPIHGUCGKFT-UHFFFAOYSA-N 1 2 299.418 3.580 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1csc(C)n1 ZINC000269443402 330069954 /nfs/dbraw/zinc/06/99/54/330069954.db2.gz TWCSRCJEDRUXNK-GFCCVEGCSA-N 1 2 288.416 3.867 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000269443404 330069983 /nfs/dbraw/zinc/06/99/83/330069983.db2.gz TWCSRCJEDRUXNK-LBPRGKRZSA-N 1 2 288.416 3.867 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000271797404 330082635 /nfs/dbraw/zinc/08/26/35/330082635.db2.gz XGWWXUHPIIHKGT-VIFPVBQESA-N 1 2 285.725 3.835 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1nnc(C)s1)c1ccc(F)c(F)c1 ZINC000274840036 330107950 /nfs/dbraw/zinc/10/79/50/330107950.db2.gz CNUQOBRXLUEFNS-AWEZNQCLSA-N 1 2 295.358 3.532 20 30 CHEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000424630182 330431932 /nfs/dbraw/zinc/43/19/32/330431932.db2.gz PLXXHVXEKYLZFI-UHFFFAOYSA-N 1 2 269.348 3.618 20 30 CHEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000428391940 330522192 /nfs/dbraw/zinc/52/21/92/330522192.db2.gz XZZRQJHLUCYOGY-KSSFIOAISA-N 1 2 297.398 3.998 20 30 CHEDLO CCc1cc(C#N)ccc1OCc1ccc(C)[nH+]c1C ZINC000442093747 330774066 /nfs/dbraw/zinc/77/40/66/330774066.db2.gz QXVLESTUKBXWOO-UHFFFAOYSA-N 1 2 266.344 3.712 20 30 CHEDLO Cc1cc(CNc2cc(C(F)(F)F)cc[nH+]2)ccc1C#N ZINC000446972184 330858830 /nfs/dbraw/zinc/85/88/30/330858830.db2.gz RMFDKCGXGDDATJ-UHFFFAOYSA-N 1 2 291.276 3.893 20 30 CHEDLO CC(C)Oc1ccc2[nH+]ccc(N(C)C[C@H](C)C#N)c2c1 ZINC000450259690 330968927 /nfs/dbraw/zinc/96/89/27/330968927.db2.gz XPLDCWDVINERDL-CYBMUJFWSA-N 1 2 283.375 3.618 20 30 CHEDLO C=CCOCCCOc1cc(CC)[nH+]c2ccccc21 ZINC000478775737 331713761 /nfs/dbraw/zinc/71/37/61/331713761.db2.gz VZPHREDKLHSOQV-UHFFFAOYSA-N 1 2 271.360 3.769 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)cc1Cl ZINC000489420975 332051243 /nfs/dbraw/zinc/05/12/43/332051243.db2.gz AXRFPWYZOGBBBQ-LLVKDONJSA-N 1 2 271.191 3.929 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)cc1Cl ZINC000489420975 332051245 /nfs/dbraw/zinc/05/12/45/332051245.db2.gz AXRFPWYZOGBBBQ-LLVKDONJSA-N 1 2 271.191 3.929 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc([C@@H](C)OCC)n1 ZINC000489442075 332052523 /nfs/dbraw/zinc/05/25/23/332052523.db2.gz ACEQQEUQFAADFC-TZMCWYRMSA-N 1 2 280.437 3.781 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc([C@@H](C)OCC)n1 ZINC000489442075 332052525 /nfs/dbraw/zinc/05/25/25/332052525.db2.gz ACEQQEUQFAADFC-TZMCWYRMSA-N 1 2 280.437 3.781 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CCC)n1 ZINC000489445115 332052998 /nfs/dbraw/zinc/05/29/98/332052998.db2.gz ZQNSTOUQNWITSA-ZDUSSCGKSA-N 1 2 250.411 3.636 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CCC)n1 ZINC000489445115 332052999 /nfs/dbraw/zinc/05/29/99/332052999.db2.gz ZQNSTOUQNWITSA-ZDUSSCGKSA-N 1 2 250.411 3.636 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000489462872 332054245 /nfs/dbraw/zinc/05/42/45/332054245.db2.gz LGIUFSIITJMXFE-MRXNPFEDSA-N 1 2 297.402 3.509 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000489462872 332054247 /nfs/dbraw/zinc/05/42/47/332054247.db2.gz LGIUFSIITJMXFE-MRXNPFEDSA-N 1 2 297.402 3.509 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000489637868 332062444 /nfs/dbraw/zinc/06/24/44/332062444.db2.gz XYZYJFNRLZGQDQ-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000489637868 332062445 /nfs/dbraw/zinc/06/24/45/332062445.db2.gz XYZYJFNRLZGQDQ-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnccc1C)c1ccc(Cl)cc1F ZINC000491744100 332322151 /nfs/dbraw/zinc/32/21/51/332322151.db2.gz SFEKTXOLOILPDR-INIZCTEOSA-N 1 2 288.753 3.647 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000491752118 332328221 /nfs/dbraw/zinc/32/82/21/332328221.db2.gz VPJHHRHWARVUEB-CQSZACIVSA-N 1 2 291.181 3.853 20 30 CHEDLO C=C1CC[NH+](Cc2cc(C)c(Br)s2)CC1 ZINC000513502576 333023247 /nfs/dbraw/zinc/02/32/47/333023247.db2.gz BLPKGXJYQFCONN-UHFFFAOYSA-N 1 2 286.238 3.971 20 30 CHEDLO N#CC[N@@H+](CCc1ccc(Cl)cc1)C1CCCC1 ZINC000308667123 333037558 /nfs/dbraw/zinc/03/75/58/333037558.db2.gz SZRCKMUSEQOCRP-UHFFFAOYSA-N 1 2 262.784 3.651 20 30 CHEDLO N#CC[N@H+](CCc1ccc(Cl)cc1)C1CCCC1 ZINC000308667123 333037560 /nfs/dbraw/zinc/03/75/60/333037560.db2.gz SZRCKMUSEQOCRP-UHFFFAOYSA-N 1 2 262.784 3.651 20 30 CHEDLO CCCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185900818 333151461 /nfs/dbraw/zinc/15/14/61/333151461.db2.gz RJJMPZPHUMRPKY-KKUMJFAQSA-N 1 2 294.439 3.559 20 30 CHEDLO COc1cc(C)[nH+]c(COc2ccc(C#N)c(Cl)c2)c1 ZINC000220993355 333171775 /nfs/dbraw/zinc/17/17/75/333171775.db2.gz LZOGZFBGJSPJQB-UHFFFAOYSA-N 1 2 288.734 3.503 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)s1 ZINC000191613114 333222461 /nfs/dbraw/zinc/22/24/61/333222461.db2.gz ORUPLNYZRUHEIT-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)s1 ZINC000191613114 333222462 /nfs/dbraw/zinc/22/24/62/333222462.db2.gz ORUPLNYZRUHEIT-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)c1cccc(C#N)c1 ZINC000174357907 335153185 /nfs/dbraw/zinc/15/31/85/335153185.db2.gz SAZRZRHTAUBOOE-NEPJUHHUSA-N 1 2 298.390 3.651 20 30 CHEDLO CCCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000545927478 334006923 /nfs/dbraw/zinc/00/69/23/334006923.db2.gz HQVUSIJGUWCIED-UHFFFAOYSA-N 1 2 281.359 3.549 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(F)c(Cl)c2)c1 ZINC000546634964 334042453 /nfs/dbraw/zinc/04/24/53/334042453.db2.gz ZYJIAGYQTXKFLK-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO N#C[C@H]1CC[C@H]([NH2+]CC(F)(F)c2ccc(Cl)cc2)C1 ZINC000552097688 334289389 /nfs/dbraw/zinc/28/93/89/334289389.db2.gz KGZCKBXWMMODTP-GWCFXTLKSA-N 1 2 284.737 3.714 20 30 CHEDLO Cc1[nH+]c2ccccn2c1CSc1cccc(C#N)c1 ZINC000158737785 334812608 /nfs/dbraw/zinc/81/26/08/334812608.db2.gz IHKWFLKKHCLNHA-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO Cc1cccc(C)c1C[N@H+](CCC#N)Cc1ccco1 ZINC000176294386 335259320 /nfs/dbraw/zinc/25/93/20/335259320.db2.gz VUDKDWIMYPQZBS-UHFFFAOYSA-N 1 2 268.360 3.812 20 30 CHEDLO Cc1cccc(C)c1C[N@@H+](CCC#N)Cc1ccco1 ZINC000176294386 335259321 /nfs/dbraw/zinc/25/93/21/335259321.db2.gz VUDKDWIMYPQZBS-UHFFFAOYSA-N 1 2 268.360 3.812 20 30 CHEDLO C[C@@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)c1ccc(F)cc1 ZINC000577179957 335317543 /nfs/dbraw/zinc/31/75/43/335317543.db2.gz SWGNMFIMSSJBTN-XJKSGUPXSA-N 1 2 274.383 3.943 20 30 CHEDLO C[C@@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)c1ccc(F)cc1 ZINC000577179957 335317544 /nfs/dbraw/zinc/31/75/44/335317544.db2.gz SWGNMFIMSSJBTN-XJKSGUPXSA-N 1 2 274.383 3.943 20 30 CHEDLO N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)s1 ZINC000176960190 335345221 /nfs/dbraw/zinc/34/52/21/335345221.db2.gz CFJKSIWFIKBYLJ-UHFFFAOYSA-N 1 2 295.367 3.565 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000183828734 335908521 /nfs/dbraw/zinc/90/85/21/335908521.db2.gz JIODWVULJBRCAZ-LBPRGKRZSA-N 1 2 292.810 3.911 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1c(F)cccc1Cl ZINC000352798634 533940917 /nfs/dbraw/zinc/94/09/17/533940917.db2.gz NDZHHDKCACLGHX-QMMMGPOBSA-N 1 2 295.770 3.658 20 30 CHEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356051654 534052618 /nfs/dbraw/zinc/05/26/18/534052618.db2.gz GMQWQYFWSKQEPD-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356051654 534052624 /nfs/dbraw/zinc/05/26/24/534052624.db2.gz GMQWQYFWSKQEPD-JTQLQIEISA-N 1 2 291.807 3.861 20 30 CHEDLO CC(C)c1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000341217044 519850901 /nfs/dbraw/zinc/85/09/01/519850901.db2.gz XEEWDSXIORXKEU-UHFFFAOYSA-N 1 2 297.427 3.917 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@@H]3CC34CCCCC4)ccc2[nH+]1 ZINC000329125192 534514936 /nfs/dbraw/zinc/51/49/36/534514936.db2.gz SVJFXPKPSNHPBT-CQSZACIVSA-N 1 2 298.390 3.501 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCCO[C@H]2C)[nH+]1 ZINC000330042562 534518774 /nfs/dbraw/zinc/51/87/74/534518774.db2.gz CEFVAUNIYLXIII-QWHCGFSZSA-N 1 2 299.374 3.788 20 30 CHEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCCO[C@@H]2C)[nH+]1 ZINC000330042561 534519854 /nfs/dbraw/zinc/51/98/54/534519854.db2.gz CEFVAUNIYLXIII-OLZOCXBDSA-N 1 2 299.374 3.788 20 30 CHEDLO CC[N@H+](Cc1csc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000076720331 521442620 /nfs/dbraw/zinc/44/26/20/521442620.db2.gz JCIRCHTXIWQNLP-GFCCVEGCSA-N 1 2 285.416 3.906 20 30 CHEDLO CC[N@@H+](Cc1csc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000076720331 521442626 /nfs/dbraw/zinc/44/26/26/521442626.db2.gz JCIRCHTXIWQNLP-GFCCVEGCSA-N 1 2 285.416 3.906 20 30 CHEDLO C[N@H+](Cc1csc(C(C)(C)C)n1)Cc1ccc(C#N)cc1 ZINC000048056828 523524110 /nfs/dbraw/zinc/52/41/10/523524110.db2.gz LJXOTBXLTXBOCQ-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1ccc(C#N)cc1 ZINC000048056828 523524123 /nfs/dbraw/zinc/52/41/23/523524123.db2.gz LJXOTBXLTXBOCQ-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C=C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000353329290 526906976 /nfs/dbraw/zinc/90/69/76/526906976.db2.gz KZOVBGURHURWHI-UHFFFAOYSA-N 1 2 270.401 3.962 20 30 CHEDLO CC1=C[C@@H](C)C[C@@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356061157 528134234 /nfs/dbraw/zinc/13/42/34/528134234.db2.gz JZPVGOWDTDNKOU-GDBMZVCRSA-N 1 2 272.392 3.988 20 30 CHEDLO CC1=C[C@@H](C)C[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356061157 528134236 /nfs/dbraw/zinc/13/42/36/528134236.db2.gz JZPVGOWDTDNKOU-GDBMZVCRSA-N 1 2 272.392 3.988 20 30 CHEDLO CC[N@@H+](Cc1ccccc1Oc1cccnc1)C[C@@H](C)C#N ZINC000130009078 1125479082 /nfs/dbraw/zinc/47/90/82/1125479082.db2.gz HRPHJGGTQXKJJX-HNNXBMFYSA-N 1 2 295.386 3.855 20 30 CHEDLO CC[N@H+](Cc1ccccc1Oc1cccnc1)C[C@@H](C)C#N ZINC000130009078 1125479084 /nfs/dbraw/zinc/47/90/84/1125479084.db2.gz HRPHJGGTQXKJJX-HNNXBMFYSA-N 1 2 295.386 3.855 20 30 CHEDLO Cc1cc([NH2+][C@H]2CC[C@H](C#N)CC2)ccc1N(C)C ZINC001167845236 1121082803 /nfs/dbraw/zinc/08/28/03/1121082803.db2.gz IOPIJNJGGZGBDY-HDJSIYSDSA-N 1 2 257.381 3.555 20 30 CHEDLO C=CCC[N@@H+](C)Cc1ncc(Cl)cc1Br ZINC000529554634 1124997532 /nfs/dbraw/zinc/99/75/32/1124997532.db2.gz ILBVWPBPNQUJGR-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO C=CCC[N@H+](C)Cc1ncc(Cl)cc1Br ZINC000529554634 1124997537 /nfs/dbraw/zinc/99/75/37/1124997537.db2.gz ILBVWPBPNQUJGR-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO CCc1nc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cs1 ZINC000348316856 1125540927 /nfs/dbraw/zinc/54/09/27/1125540927.db2.gz IVFXPNZLKCPAHZ-SNVBAGLBSA-N 1 2 289.379 3.567 20 30 CHEDLO Clc1cccc(C#CC[N@@H+]2CCc3sccc3C2)c1 ZINC000533450348 1125607769 /nfs/dbraw/zinc/60/77/69/1125607769.db2.gz NVQVWOBTJWPMOQ-UHFFFAOYSA-N 1 2 287.815 3.811 20 30 CHEDLO Clc1cccc(C#CC[N@H+]2CCc3sccc3C2)c1 ZINC000533450348 1125607772 /nfs/dbraw/zinc/60/77/72/1125607772.db2.gz NVQVWOBTJWPMOQ-UHFFFAOYSA-N 1 2 287.815 3.811 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000072692692 1125635141 /nfs/dbraw/zinc/63/51/41/1125635141.db2.gz QNTOPBUXBJHBCY-UHFFFAOYSA-N 1 2 289.379 3.747 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000072692692 1125635147 /nfs/dbraw/zinc/63/51/47/1125635147.db2.gz QNTOPBUXBJHBCY-UHFFFAOYSA-N 1 2 289.379 3.747 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1csc([C@@H](C)OCC)n1 ZINC000076715583 1125683343 /nfs/dbraw/zinc/68/33/43/1125683343.db2.gz WQTKYGBEKWZVQN-GFCCVEGCSA-N 1 2 268.426 3.639 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1csc([C@@H](C)OCC)n1 ZINC000076715583 1125683348 /nfs/dbraw/zinc/68/33/48/1125683348.db2.gz WQTKYGBEKWZVQN-GFCCVEGCSA-N 1 2 268.426 3.639 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093090713 1125765234 /nfs/dbraw/zinc/76/52/34/1125765234.db2.gz VXSILXXCAJAAHJ-GFCCVEGCSA-N 1 2 299.330 3.589 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093090713 1125765239 /nfs/dbraw/zinc/76/52/39/1125765239.db2.gz VXSILXXCAJAAHJ-GFCCVEGCSA-N 1 2 299.330 3.589 20 30 CHEDLO C=CCC(CC=C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000159326331 1129199910 /nfs/dbraw/zinc/19/99/10/1129199910.db2.gz SWNDYXJGDHCNOT-UHFFFAOYSA-N 1 2 258.365 3.714 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)cccc1OC(F)F ZINC000679362494 1130522291 /nfs/dbraw/zinc/52/22/91/1130522291.db2.gz YEAMYFRVRPCFPH-UHFFFAOYSA-N 1 2 275.726 3.949 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1c(Cl)cccc1OC(F)F ZINC000679362494 1130522295 /nfs/dbraw/zinc/52/22/95/1130522295.db2.gz YEAMYFRVRPCFPH-UHFFFAOYSA-N 1 2 275.726 3.949 20 30 CHEDLO CCc1cnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000187708017 1126913641 /nfs/dbraw/zinc/91/36/41/1126913641.db2.gz NWVBDDCXBQJQAT-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000187708017 1126913646 /nfs/dbraw/zinc/91/36/46/1126913646.db2.gz NWVBDDCXBQJQAT-LBPRGKRZSA-N 1 2 285.416 3.770 20 30 CHEDLO CC(=NOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777460584 1126942299 /nfs/dbraw/zinc/94/22/99/1126942299.db2.gz YYQLJRIYVYVHDU-UHFFFAOYSA-N 1 2 283.375 3.946 20 30 CHEDLO C#CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000192237141 1126959144 /nfs/dbraw/zinc/95/91/44/1126959144.db2.gz RYRNCLKILSDHOX-NSHDSACASA-N 1 2 274.751 3.621 20 30 CHEDLO C#CC[N@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000192237141 1126959147 /nfs/dbraw/zinc/95/91/47/1126959147.db2.gz RYRNCLKILSDHOX-NSHDSACASA-N 1 2 274.751 3.621 20 30 CHEDLO C[C@H](CC[N@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000193881089 1126971199 /nfs/dbraw/zinc/97/11/99/1126971199.db2.gz HAIMFVRRXUBNJL-QGZVFWFLSA-N 1 2 293.414 3.991 20 30 CHEDLO C[C@H](CC[N@@H+](CCC#N)Cc1ccccn1)c1ccccc1 ZINC000193881089 1126971201 /nfs/dbraw/zinc/97/12/01/1126971201.db2.gz HAIMFVRRXUBNJL-QGZVFWFLSA-N 1 2 293.414 3.991 20 30 CHEDLO COc1ccc2[nH+]c(NCC(C)(C)S)c(C)cc2c1 ZINC001159264506 1130946759 /nfs/dbraw/zinc/94/67/59/1130946759.db2.gz XTBVFWVTAAMRKM-UHFFFAOYSA-N 1 2 276.405 3.672 20 30 CHEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1Oc1cccnc1 ZINC000271127734 1127069498 /nfs/dbraw/zinc/06/94/98/1127069498.db2.gz LYTRKHAQPGOQCZ-CQSZACIVSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1Oc1cccnc1 ZINC000271127734 1127069501 /nfs/dbraw/zinc/06/95/01/1127069501.db2.gz LYTRKHAQPGOQCZ-CQSZACIVSA-N 1 2 295.386 3.774 20 30 CHEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cscn1 ZINC000271567292 1127092700 /nfs/dbraw/zinc/09/27/00/1127092700.db2.gz XZXWLRJLFIYXNB-GXTWGEPZSA-N 1 2 271.389 3.839 20 30 CHEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cscn1 ZINC000271567296 1127092899 /nfs/dbraw/zinc/09/28/99/1127092899.db2.gz XZXWLRJLFIYXNB-OCCSQVGLSA-N 1 2 271.389 3.839 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)nc1 ZINC000348880859 1127132285 /nfs/dbraw/zinc/13/22/85/1127132285.db2.gz WBIQPCNJZDORKC-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)nc1 ZINC000348880859 1127132286 /nfs/dbraw/zinc/13/22/86/1127132286.db2.gz WBIQPCNJZDORKC-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4cc(F)ccc4C3=O)n2c1 ZINC000151427511 1127134541 /nfs/dbraw/zinc/13/45/41/1127134541.db2.gz UTMLZFGCSLWCPP-JYRVWZFOSA-N 1 2 292.313 3.604 20 30 CHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1F ZINC000349799843 1127162262 /nfs/dbraw/zinc/16/22/62/1127162262.db2.gz BWGPVEMBVDLRNK-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1F ZINC000349799843 1127162265 /nfs/dbraw/zinc/16/22/65/1127162265.db2.gz BWGPVEMBVDLRNK-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000192987269 1127165870 /nfs/dbraw/zinc/16/58/70/1127165870.db2.gz VPHWMSMVNHKHMH-CQSZACIVSA-N 1 2 292.386 3.727 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1cc(C#N)c(F)cc1F ZINC001237533410 1131111108 /nfs/dbraw/zinc/11/11/08/1131111108.db2.gz IJRWXAUVTWQOKH-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1cc(C#N)c(F)cc1F ZINC001237533410 1131111111 /nfs/dbraw/zinc/11/11/11/1131111111.db2.gz IJRWXAUVTWQOKH-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ccon2)cc1Cl ZINC000351606910 1127198475 /nfs/dbraw/zinc/19/84/75/1127198475.db2.gz VLEAYZQEUUHFQB-LLVKDONJSA-N 1 2 292.766 3.744 20 30 CHEDLO C[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648735 1127266935 /nfs/dbraw/zinc/26/69/35/1127266935.db2.gz CGUAKAHVNDVGPO-BLLLJJGKSA-N 1 2 278.346 3.694 20 30 CHEDLO C[C@@H](C[N@H+]1CCC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648735 1127266937 /nfs/dbraw/zinc/26/69/37/1127266937.db2.gz CGUAKAHVNDVGPO-BLLLJJGKSA-N 1 2 278.346 3.694 20 30 CHEDLO CCc1ccc2[nH+]ccc(N3CCC[C@](C)(C#N)C3)c2c1 ZINC000590697174 1127268248 /nfs/dbraw/zinc/26/82/48/1127268248.db2.gz PAGLYERBUILUKF-GOSISDBHSA-N 1 2 279.387 3.927 20 30 CHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2c1 ZINC000591026515 1127284377 /nfs/dbraw/zinc/28/43/77/1127284377.db2.gz IUZHGOKYNKLWCP-GOSISDBHSA-N 1 2 279.387 3.669 20 30 CHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2c1 ZINC000591026515 1127284380 /nfs/dbraw/zinc/28/43/80/1127284380.db2.gz IUZHGOKYNKLWCP-GOSISDBHSA-N 1 2 279.387 3.669 20 30 CHEDLO Cc1c(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1Cl ZINC001238221985 1131183945 /nfs/dbraw/zinc/18/39/45/1131183945.db2.gz HPTADMVPHGATHZ-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO Cc1c(C)c(C[N@H+]2CC[C@](C)(C#N)C2)ccc1Cl ZINC001238221985 1131183948 /nfs/dbraw/zinc/18/39/48/1131183948.db2.gz HPTADMVPHGATHZ-OAHLLOKOSA-N 1 2 262.784 3.692 20 30 CHEDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000354119301 1127295045 /nfs/dbraw/zinc/29/50/45/1127295045.db2.gz HCXBIZSPPXCDRX-UHFFFAOYSA-N 1 2 292.382 3.515 20 30 CHEDLO CCOc1ccc2c(c1)CC[N@H+](Cc1ccccc1C#N)C2 ZINC000354119301 1127295047 /nfs/dbraw/zinc/29/50/47/1127295047.db2.gz HCXBIZSPPXCDRX-UHFFFAOYSA-N 1 2 292.382 3.515 20 30 CHEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592058198 1127333249 /nfs/dbraw/zinc/33/32/49/1127333249.db2.gz CELSTOSLXBBEQE-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592058198 1127333253 /nfs/dbraw/zinc/33/32/53/1127333253.db2.gz CELSTOSLXBBEQE-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CCC1 ZINC000593632759 1127391444 /nfs/dbraw/zinc/39/14/44/1127391444.db2.gz JQUHNSGMFAUMCC-LBPRGKRZSA-N 1 2 278.758 3.750 20 30 CHEDLO N#CC1(C[NH2+]Cc2cscc2Cl)CCCCC1 ZINC000594981159 1127443212 /nfs/dbraw/zinc/44/32/12/1127443212.db2.gz IAWFLNIXLIJAMS-UHFFFAOYSA-N 1 2 268.813 3.965 20 30 CHEDLO N#CCC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000595423214 1127462197 /nfs/dbraw/zinc/46/21/97/1127462197.db2.gz ZZFVPSLMRVQUPE-MRXNPFEDSA-N 1 2 281.359 3.687 20 30 CHEDLO N#CCC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000595423193 1127462562 /nfs/dbraw/zinc/46/25/62/1127462562.db2.gz ZZFVPSLMRVQUPE-INIZCTEOSA-N 1 2 281.359 3.687 20 30 CHEDLO CC[C@H](CC(F)F)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000595463859 1127463730 /nfs/dbraw/zinc/46/37/30/1127463730.db2.gz BBTJFQYRRRFXQE-VXGBXAGGSA-N 1 2 258.356 3.682 20 30 CHEDLO CC[C@H](CC(F)F)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000595463859 1127463733 /nfs/dbraw/zinc/46/37/33/1127463733.db2.gz BBTJFQYRRRFXQE-VXGBXAGGSA-N 1 2 258.356 3.682 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000595610208 1127470493 /nfs/dbraw/zinc/47/04/93/1127470493.db2.gz TVVVCJYLSUXDBV-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000595610208 1127470495 /nfs/dbraw/zinc/47/04/95/1127470495.db2.gz TVVVCJYLSUXDBV-GFCCVEGCSA-N 1 2 287.388 3.529 20 30 CHEDLO CC(C)[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1F ZINC000595694918 1127473076 /nfs/dbraw/zinc/47/30/76/1127473076.db2.gz WPRLVVMXKJRAFC-QGZVFWFLSA-N 1 2 283.350 3.579 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1conc1C)c1ccc(F)c(F)c1 ZINC000293306259 1127499050 /nfs/dbraw/zinc/49/90/50/1127499050.db2.gz PXBYUODSPIAVMH-OAHLLOKOSA-N 1 2 278.302 3.668 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2OC(F)F)CCCC1 ZINC000597159324 1127530470 /nfs/dbraw/zinc/53/04/70/1127530470.db2.gz YABYHFRNCCKPPL-UHFFFAOYSA-N 1 2 298.308 3.601 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361061869 1127535025 /nfs/dbraw/zinc/53/50/25/1127535025.db2.gz JOYUNZWUUOSGAL-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000361061869 1127535027 /nfs/dbraw/zinc/53/50/27/1127535027.db2.gz JOYUNZWUUOSGAL-CYBMUJFWSA-N 1 2 278.355 3.644 20 30 CHEDLO CCOc1cc(C)ccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602014022 1127555708 /nfs/dbraw/zinc/55/57/08/1127555708.db2.gz QBVLNQVOARLWCS-UHFFFAOYSA-N 1 2 298.361 3.694 20 30 CHEDLO C[C@@H](CCC#N)CNc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000602490045 1127585628 /nfs/dbraw/zinc/58/56/28/1127585628.db2.gz HENUIZDFVGIIQX-LBPRGKRZSA-N 1 2 288.782 3.877 20 30 CHEDLO C=CC(C)(C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000295098456 1127619887 /nfs/dbraw/zinc/61/98/87/1127619887.db2.gz GBUKVDJQZMBQRG-UHFFFAOYSA-N 1 2 269.348 3.536 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981263 1127624089 /nfs/dbraw/zinc/62/40/89/1127624089.db2.gz AJMHOLIECJSWII-CVEARBPZSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981263 1127624091 /nfs/dbraw/zinc/62/40/91/1127624091.db2.gz AJMHOLIECJSWII-CVEARBPZSA-N 1 2 295.386 3.774 20 30 CHEDLO C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCC[C@@H]1C#N ZINC000602976106 1127625850 /nfs/dbraw/zinc/62/58/50/1127625850.db2.gz KWBXPPOWYMMRNQ-MWLCHTKSSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCC[C@@H]1C#N ZINC000602976106 1127625853 /nfs/dbraw/zinc/62/58/53/1127625853.db2.gz KWBXPPOWYMMRNQ-MWLCHTKSSA-N 1 2 299.237 3.635 20 30 CHEDLO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4scnc43)CC2)c1 ZINC000599037431 1127653839 /nfs/dbraw/zinc/65/38/39/1127653839.db2.gz BFUVVOCFIIGDNT-CQSZACIVSA-N 1 2 295.411 3.671 20 30 CHEDLO COc1cccc2c1C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000599645607 1127684673 /nfs/dbraw/zinc/68/46/73/1127684673.db2.gz QPMCPYJAPLDVBL-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO COc1cccc2c1C[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000599645607 1127684674 /nfs/dbraw/zinc/68/46/74/1127684674.db2.gz QPMCPYJAPLDVBL-ZDUSSCGKSA-N 1 2 278.355 3.644 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599686518 1127687893 /nfs/dbraw/zinc/68/78/93/1127687893.db2.gz FUGDICKSYGZFNS-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599686518 1127687895 /nfs/dbraw/zinc/68/78/95/1127687895.db2.gz FUGDICKSYGZFNS-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000411165071 1127844554 /nfs/dbraw/zinc/84/45/54/1127844554.db2.gz NXUKQFHEEZCVFE-ZDUSSCGKSA-N 1 2 292.810 3.649 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000411165070 1127844645 /nfs/dbraw/zinc/84/46/45/1127844645.db2.gz NXUKQFHEEZCVFE-CYBMUJFWSA-N 1 2 292.810 3.649 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(Cl)cc1 ZINC000491513358 1128072097 /nfs/dbraw/zinc/07/20/97/1128072097.db2.gz BUTIKFSUQBJEPM-QGZVFWFLSA-N 1 2 296.801 3.688 20 30 CHEDLO CC(C)n1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000925600667 1128133713 /nfs/dbraw/zinc/13/37/13/1128133713.db2.gz IGGHUDLWVASUGL-GOEBONIOSA-N 1 2 297.406 3.555 20 30 CHEDLO Cc1cc([NH2+][C@H](C)CC(C)(C)C#N)ccc1N(C)C ZINC000926052805 1128150841 /nfs/dbraw/zinc/15/08/41/1128150841.db2.gz OWUPVNZTQFDICP-CYBMUJFWSA-N 1 2 259.397 3.801 20 30 CHEDLO Cc1cc(N[C@H](C)CC(C)(C)C#N)ccc1[NH+](C)C ZINC000926052805 1128150843 /nfs/dbraw/zinc/15/08/43/1128150843.db2.gz OWUPVNZTQFDICP-CYBMUJFWSA-N 1 2 259.397 3.801 20 30 CHEDLO CC[C@H]([NH2+]CCCC(C)(F)F)c1cccc(C#N)c1O ZINC000926496593 1128176156 /nfs/dbraw/zinc/17/61/56/1128176156.db2.gz IUSNODMXXZBPNH-ZDUSSCGKSA-N 1 2 282.334 3.740 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000926943167 1128204696 /nfs/dbraw/zinc/20/46/96/1128204696.db2.gz AAEVWZRFOLHGEF-UHTWSYAYSA-N 1 2 298.308 3.503 20 30 CHEDLO Oc1cccc(/C=[NH+]\CCc2ccc3ccccc3c2)c1O ZINC000915112767 1128284396 /nfs/dbraw/zinc/28/43/96/1128284396.db2.gz FLWDDFYLPIPCTF-MOSHPQCFSA-N 1 2 291.350 3.913 20 30 CHEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)sc1C(C)(C)C ZINC000930921776 1128340668 /nfs/dbraw/zinc/34/06/68/1128340668.db2.gz HLMKXDLTYDWRSS-ZDUSSCGKSA-N 1 2 291.464 3.875 20 30 CHEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)sc1C(C)(C)C ZINC000930921776 1128340670 /nfs/dbraw/zinc/34/06/70/1128340670.db2.gz HLMKXDLTYDWRSS-ZDUSSCGKSA-N 1 2 291.464 3.875 20 30 CHEDLO C=C(C)C[N@@H+](C)Cn1c2ccccc2n(CC)c1=S ZINC000777960625 1128348779 /nfs/dbraw/zinc/34/87/79/1128348779.db2.gz JXQRECIEDIAGAG-UHFFFAOYSA-N 1 2 275.421 3.658 20 30 CHEDLO C=C(C)C[N@H+](C)Cn1c2ccccc2n(CC)c1=S ZINC000777960625 1128348783 /nfs/dbraw/zinc/34/87/83/1128348783.db2.gz JXQRECIEDIAGAG-UHFFFAOYSA-N 1 2 275.421 3.658 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](c2ccccc2)O1 ZINC000092486617 1128350773 /nfs/dbraw/zinc/35/07/73/1128350773.db2.gz WXAJEXIGTFALEK-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](c2ccccc2)O1 ZINC000092486617 1128350776 /nfs/dbraw/zinc/35/07/76/1128350776.db2.gz WXAJEXIGTFALEK-SUMWQHHRSA-N 1 2 298.411 3.582 20 30 CHEDLO C=CCN(CC1CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932594446 1128417356 /nfs/dbraw/zinc/41/73/56/1128417356.db2.gz GWFHCIJEVHZCQF-UHFFFAOYSA-N 1 2 297.402 3.771 20 30 CHEDLO N#Cc1cnccc1C[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932405779 1128408556 /nfs/dbraw/zinc/40/85/56/1128408556.db2.gz LVZDYEDHSMGQAV-UHFFFAOYSA-N 1 2 295.361 3.647 20 30 CHEDLO N#Cc1cnccc1C[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932405779 1128408559 /nfs/dbraw/zinc/40/85/59/1128408559.db2.gz LVZDYEDHSMGQAV-UHFFFAOYSA-N 1 2 295.361 3.647 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000916642106 1128434424 /nfs/dbraw/zinc/43/44/24/1128434424.db2.gz JANBUJKGIVXXMA-OAHLLOKOSA-N 1 2 294.398 3.841 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCCCOCCc1ccccc1 ZINC000917556823 1128507028 /nfs/dbraw/zinc/50/70/28/1128507028.db2.gz NRBHYKDSGXBURL-CAPFRKAQSA-N 1 2 297.398 3.851 20 30 CHEDLO N#C[C@H]1CC=C(Nc2cc(Cl)c3[nH+]ccn3c2)CC1 ZINC001212857243 1128608336 /nfs/dbraw/zinc/60/83/36/1128608336.db2.gz DUWNECFXZPTZRA-JTQLQIEISA-N 1 2 272.739 3.607 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000570979499 1128635257 /nfs/dbraw/zinc/63/52/57/1128635257.db2.gz HIKNWKWEXSLIMM-UHFFFAOYSA-N 1 2 295.308 3.701 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000570979499 1128635259 /nfs/dbraw/zinc/63/52/59/1128635259.db2.gz HIKNWKWEXSLIMM-UHFFFAOYSA-N 1 2 295.308 3.701 20 30 CHEDLO C=C1C[C@@H]2CC([NH2+]C3(C#N)CCCCC3)C[C@H](C1)C2 ZINC001257888672 1128664004 /nfs/dbraw/zinc/66/40/04/1128664004.db2.gz XGZWNBKYOFJGHR-XYPWUTKMSA-N 1 2 258.409 3.937 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCC[C@H](C)C2)c1O ZINC000920175537 1128670567 /nfs/dbraw/zinc/67/05/67/1128670567.db2.gz WYAUSKUTGGAMAJ-FSUYJDLYSA-N 1 2 261.365 3.646 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001212862740 1128670603 /nfs/dbraw/zinc/67/06/03/1128670603.db2.gz RGCVQENUTANRDF-CQSZACIVSA-N 1 2 278.359 3.551 20 30 CHEDLO CCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921153821 1128701854 /nfs/dbraw/zinc/70/18/54/1128701854.db2.gz SFYHYJDVBNCDSD-UHFFFAOYSA-N 1 2 299.418 3.849 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000064557825 1128726406 /nfs/dbraw/zinc/72/64/06/1128726406.db2.gz SFWKYHZOBWQJLZ-JTQLQIEISA-N 1 2 270.348 3.593 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000064557825 1128726408 /nfs/dbraw/zinc/72/64/08/1128726408.db2.gz SFWKYHZOBWQJLZ-JTQLQIEISA-N 1 2 270.348 3.593 20 30 CHEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710567 1117899990 /nfs/dbraw/zinc/89/99/90/1117899990.db2.gz VDFSQMQCSJMBMN-SNVBAGLBSA-N 1 2 263.772 3.785 20 30 CHEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255024738 1117993129 /nfs/dbraw/zinc/99/31/29/1117993129.db2.gz AYDQQDFJQBQLCO-FLIBITNWSA-N 1 2 292.338 3.629 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccccc3)c[nH+]c12 ZINC000255036357 1118004614 /nfs/dbraw/zinc/00/46/14/1118004614.db2.gz IYRGJIQUBCJSPQ-KTKRTIGZSA-N 1 2 262.312 3.539 20 30 CHEDLO C=CCCCCCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209442958 1118062142 /nfs/dbraw/zinc/06/21/42/1118062142.db2.gz JBSCWNZSSSCNQG-HNNXBMFYSA-N 1 2 269.404 3.906 20 30 CHEDLO C=CCCCCCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209442958 1118062146 /nfs/dbraw/zinc/06/21/46/1118062146.db2.gz JBSCWNZSSSCNQG-HNNXBMFYSA-N 1 2 269.404 3.906 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000168929353 1118161309 /nfs/dbraw/zinc/16/13/09/1118161309.db2.gz GPHOZGAETISNRE-UHFFFAOYSA-N 1 2 288.725 3.581 20 30 CHEDLO COc1ccc(C)cc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000255134534 1118285831 /nfs/dbraw/zinc/28/58/31/1118285831.db2.gz BINDWLMYOHPKBY-FPLPWBNLSA-N 1 2 292.338 3.547 20 30 CHEDLO CCOC(=O)C[C@H](C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255161826 1118353821 /nfs/dbraw/zinc/35/38/21/1118353821.db2.gz SCGYEPZNEAVGOD-QXGSTRBFSA-N 1 2 299.370 3.554 20 30 CHEDLO COc1cc(Nc2ccc(C#N)cc2Cl)cc(C)[nH+]1 ZINC001210780078 1118384591 /nfs/dbraw/zinc/38/45/91/1118384591.db2.gz GJJLSMYCYZHKJG-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2n2c[nH+]cc12 ZINC000624409495 1118398163 /nfs/dbraw/zinc/39/81/63/1118398163.db2.gz FJRBFXQFXNSCCO-OKILXGFUSA-N 1 2 290.370 3.570 20 30 CHEDLO C=CCCCCCNc1ccccc1C[NH+]1CCOCC1 ZINC000580275463 1118413131 /nfs/dbraw/zinc/41/31/31/1118413131.db2.gz XXKFCCVYYIFGSE-UHFFFAOYSA-N 1 2 288.435 3.677 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000078636125 1118508212 /nfs/dbraw/zinc/50/82/12/1118508212.db2.gz JRECRILCSQSJLG-UHFFFAOYSA-N 1 2 272.323 3.655 20 30 CHEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@@H]1c1cccnc1 ZINC000335323520 1118620806 /nfs/dbraw/zinc/62/08/06/1118620806.db2.gz ZAOUCZJWUQQMMF-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1cccnc1 ZINC000335323520 1118620807 /nfs/dbraw/zinc/62/08/07/1118620807.db2.gz ZAOUCZJWUQQMMF-OAHLLOKOSA-N 1 2 283.400 3.598 20 30 CHEDLO C=CC[N@@H+](CCC(F)(F)F)Cc1ccccc1F ZINC000077268911 1118706151 /nfs/dbraw/zinc/70/61/51/1118706151.db2.gz OLSHLMKTCWVBGV-UHFFFAOYSA-N 1 2 261.262 3.766 20 30 CHEDLO C=CC[N@H+](CCC(F)(F)F)Cc1ccccc1F ZINC000077268911 1118706153 /nfs/dbraw/zinc/70/61/53/1118706153.db2.gz OLSHLMKTCWVBGV-UHFFFAOYSA-N 1 2 261.262 3.766 20 30 CHEDLO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N ZINC000091982930 1118837897 /nfs/dbraw/zinc/83/78/97/1118837897.db2.gz DIKMQLYUSSFBQC-JTQLQIEISA-N 1 2 271.191 3.975 20 30 CHEDLO CC[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N ZINC000091982930 1118837901 /nfs/dbraw/zinc/83/79/01/1118837901.db2.gz DIKMQLYUSSFBQC-JTQLQIEISA-N 1 2 271.191 3.975 20 30 CHEDLO Cc1cc(C)cc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000255437079 1118926950 /nfs/dbraw/zinc/92/69/50/1118926950.db2.gz NVZZAWOQNPISRN-SREVYHEPSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1ccc(C(C)(C)C/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000728437793 1118946283 /nfs/dbraw/zinc/94/62/83/1118946283.db2.gz INTNFFOVELIYOL-YBFXNURJSA-N 1 2 283.371 3.803 20 30 CHEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892202056 1119022603 /nfs/dbraw/zinc/02/26/03/1119022603.db2.gz PCQMXLWBTJWGBR-IAGOWNOFSA-N 1 2 296.370 3.560 20 30 CHEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892202056 1119022607 /nfs/dbraw/zinc/02/26/07/1119022607.db2.gz PCQMXLWBTJWGBR-IAGOWNOFSA-N 1 2 296.370 3.560 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2nc(C)cc(C)c2C#N)c1 ZINC000339742355 1119117276 /nfs/dbraw/zinc/11/72/76/1119117276.db2.gz KGMWGZJQUFJKKA-UHFFFAOYSA-N 1 2 299.399 3.574 20 30 CHEDLO O=C1c2ccccc2SC/C1=C/c1cccc2[nH+]ccn21 ZINC000255544300 1119202182 /nfs/dbraw/zinc/20/21/82/1119202182.db2.gz ZIXNNUBIOJKXNM-BENRWUELSA-N 1 2 292.363 3.706 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H](OCC)C(C)C)c1 ZINC000255569177 1119371350 /nfs/dbraw/zinc/37/13/50/1119371350.db2.gz IKLOTQIHMNONFT-ZCWPUFOUSA-N 1 2 293.407 3.661 20 30 CHEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000161754864 1119371900 /nfs/dbraw/zinc/37/19/00/1119371900.db2.gz DULCVYBFVDAUFE-VIFPVBQESA-N 1 2 252.770 3.699 20 30 CHEDLO COc1ccc(C)cc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000178944041 1119390792 /nfs/dbraw/zinc/39/07/92/1119390792.db2.gz YRYFIMMTYJNMJM-BQYQJAHWSA-N 1 2 292.338 3.547 20 30 CHEDLO Cc1c(Cl)cnc(Nc2ccc3c(c2)[nH+]cn3C)c1C#N ZINC000343542657 1119448668 /nfs/dbraw/zinc/44/86/68/1119448668.db2.gz YAMRWPKAMPMFNZ-UHFFFAOYSA-N 1 2 297.749 3.545 20 30 CHEDLO N#CC1(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000343585284 1119462519 /nfs/dbraw/zinc/46/25/19/1119462519.db2.gz WVSZFKIRUJRNSV-LBPRGKRZSA-N 1 2 268.282 3.573 20 30 CHEDLO C=CCC[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000658115953 1119684844 /nfs/dbraw/zinc/68/48/44/1119684844.db2.gz XXNNDJCJWVSRTA-CQSZACIVSA-N 1 2 269.335 3.946 20 30 CHEDLO CSc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612155534 1119736343 /nfs/dbraw/zinc/73/63/43/1119736343.db2.gz WPXFNKGMRNGYTR-HNNXBMFYSA-N 1 2 260.406 3.534 20 30 CHEDLO CSc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612155534 1119736345 /nfs/dbraw/zinc/73/63/45/1119736345.db2.gz WPXFNKGMRNGYTR-HNNXBMFYSA-N 1 2 260.406 3.534 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000780385128 1119761247 /nfs/dbraw/zinc/76/12/47/1119761247.db2.gz MCQLKYBPISNSIO-BDAKNGLRSA-N 1 2 286.135 3.558 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000780385128 1119761249 /nfs/dbraw/zinc/76/12/49/1119761249.db2.gz MCQLKYBPISNSIO-BDAKNGLRSA-N 1 2 286.135 3.558 20 30 CHEDLO CC1(C)CCc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000612407092 1119784346 /nfs/dbraw/zinc/78/43/46/1119784346.db2.gz YONADNHCEDYQJD-LJQANCHMSA-N 1 2 298.430 3.916 20 30 CHEDLO CC1(C)CCc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000612407092 1119784348 /nfs/dbraw/zinc/78/43/48/1119784348.db2.gz YONADNHCEDYQJD-LJQANCHMSA-N 1 2 298.430 3.916 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCc1cc2ccccc2[nH]1 ZINC000255881027 1119861863 /nfs/dbraw/zinc/86/18/63/1119861863.db2.gz FGQMDKFXVZYIBK-PDGQHHTCSA-N 1 2 264.328 3.535 20 30 CHEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCCc2ccccc21 ZINC000584561737 1120282123 /nfs/dbraw/zinc/28/21/23/1120282123.db2.gz XICLTFLBOJTLRO-HNNXBMFYSA-N 1 2 283.400 3.524 20 30 CHEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCCc2ccccc21 ZINC000584561737 1120282124 /nfs/dbraw/zinc/28/21/24/1120282124.db2.gz XICLTFLBOJTLRO-HNNXBMFYSA-N 1 2 283.400 3.524 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068766704 1120483463 /nfs/dbraw/zinc/48/34/63/1120483463.db2.gz MQWHPBYRDXCYCS-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766704 1120483465 /nfs/dbraw/zinc/48/34/65/1120483465.db2.gz MQWHPBYRDXCYCS-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCc1cc(Cl)cc(Cl)c1 ZINC000428858656 1120541810 /nfs/dbraw/zinc/54/18/10/1120541810.db2.gz YVAYSGJHDUDSHX-UHFFFAOYSA-N 1 2 283.202 3.938 20 30 CHEDLO C=CC[N@H+](CCC#N)CCc1cc(Cl)cc(Cl)c1 ZINC000428858656 1120541814 /nfs/dbraw/zinc/54/18/14/1120541814.db2.gz YVAYSGJHDUDSHX-UHFFFAOYSA-N 1 2 283.202 3.938 20 30 CHEDLO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2C#N)ccc1F ZINC000428960504 1120587406 /nfs/dbraw/zinc/58/74/06/1120587406.db2.gz IYXCCOBMONXIFE-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1cc(C[N@H+](C)Cc2cccc(F)c2C#N)ccc1F ZINC000428960504 1120587412 /nfs/dbraw/zinc/58/74/12/1120587412.db2.gz IYXCCOBMONXIFE-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCCC#N ZINC000111309949 1120635634 /nfs/dbraw/zinc/63/56/34/1120635634.db2.gz SHKLNCJBORZXEE-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCCC#N ZINC000111309949 1120635637 /nfs/dbraw/zinc/63/56/37/1120635637.db2.gz SHKLNCJBORZXEE-XJKSGUPXSA-N 1 2 292.810 3.796 20 30 CHEDLO CC[C@@H](C)Oc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000132268109 1120685675 /nfs/dbraw/zinc/68/56/75/1120685675.db2.gz KLPSMZAONNQDGF-UONOGXRCSA-N 1 2 290.407 3.606 20 30 CHEDLO CC[C@@H](C)Oc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000132268109 1120685679 /nfs/dbraw/zinc/68/56/79/1120685679.db2.gz KLPSMZAONNQDGF-UONOGXRCSA-N 1 2 290.407 3.606 20 30 CHEDLO Cc1cc[nH+]c(C(C)C)c1Nc1ccc(N)c(C#N)c1 ZINC001213435786 1120696241 /nfs/dbraw/zinc/69/62/41/1120696241.db2.gz FXEHBKLMVNSGJU-UHFFFAOYSA-N 1 2 266.348 3.711 20 30 CHEDLO N#CC1(C[NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC000593041219 1120717320 /nfs/dbraw/zinc/71/73/20/1120717320.db2.gz XZGVHDPQUXKPFO-UHFFFAOYSA-N 1 2 260.768 3.613 20 30 CHEDLO C=CC[N@H+](Cc1ncc(Br)s1)C(C)(C)C ZINC000661759562 1120810710 /nfs/dbraw/zinc/81/07/10/1120810710.db2.gz IKCKMKQEAMKZPW-UHFFFAOYSA-N 1 2 289.242 3.692 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(Br)s1)C(C)(C)C ZINC000661759562 1120810711 /nfs/dbraw/zinc/81/07/11/1120810711.db2.gz IKCKMKQEAMKZPW-UHFFFAOYSA-N 1 2 289.242 3.692 20 30 CHEDLO N#C[C@H]1CC[C@H](Nc2cc(-c3ccncc3)cc[nH+]2)CC1 ZINC001167841535 1121056279 /nfs/dbraw/zinc/05/62/79/1121056279.db2.gz WUAQSJBUNAQTFT-SAZUREKKSA-N 1 2 278.359 3.638 20 30 CHEDLO C=CC[C@H]1CC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000625702971 1121064335 /nfs/dbraw/zinc/06/43/35/1121064335.db2.gz IZOSMZGUVIUCOL-ZDUSSCGKSA-N 1 2 275.396 3.515 20 30 CHEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000625702971 1121064342 /nfs/dbraw/zinc/06/43/42/1121064342.db2.gz IZOSMZGUVIUCOL-ZDUSSCGKSA-N 1 2 275.396 3.515 20 30 CHEDLO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)ccc1[NH+](C)C ZINC001167845236 1121082795 /nfs/dbraw/zinc/08/27/95/1121082795.db2.gz IOPIJNJGGZGBDY-HDJSIYSDSA-N 1 2 257.381 3.555 20 30 CHEDLO CC(C)COc1cc(N[C@H]2CC[C@H](C#N)CC2)cc[nH+]1 ZINC001167845640 1121087412 /nfs/dbraw/zinc/08/74/12/1121087412.db2.gz NIBBKKNNVXNTPP-HDJSIYSDSA-N 1 2 273.380 3.611 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1cc2ccccc2[nH]1 ZINC000619073141 1128963790 /nfs/dbraw/zinc/96/37/90/1128963790.db2.gz CJKVEEISLOESEU-UHFFFAOYSA-N 1 2 269.392 3.930 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc2ccccc2[nH]1 ZINC000619073141 1128963792 /nfs/dbraw/zinc/96/37/92/1128963792.db2.gz CJKVEEISLOESEU-UHFFFAOYSA-N 1 2 269.392 3.930 20 30 CHEDLO CCCCOc1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001175002502 1121127482 /nfs/dbraw/zinc/12/74/82/1121127482.db2.gz XXYPEBAXBBECAP-UHFFFAOYSA-N 1 2 299.374 3.505 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(OC)o1)c1ccc(F)c(F)c1 ZINC000893669521 1121158072 /nfs/dbraw/zinc/15/80/72/1121158072.db2.gz ZJKAXBXDQUSKLB-INIZCTEOSA-N 1 2 293.313 3.973 20 30 CHEDLO CN(C)c1ccc(Nc2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC001175344441 1121274596 /nfs/dbraw/zinc/27/45/96/1121274596.db2.gz ZTJCYHQCDPXQRC-UHFFFAOYSA-N 1 2 280.375 3.692 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1c(C#N)cnn1C(C)C ZINC001213494978 1121347763 /nfs/dbraw/zinc/34/77/63/1121347763.db2.gz ONFLZMZVFAIOLM-UHFFFAOYSA-N 1 2 281.363 3.660 20 30 CHEDLO C#Cc1cc(Nc2ccc(SC(C)C)cc2)cc[nH+]1 ZINC001175623239 1121398820 /nfs/dbraw/zinc/39/88/20/1121398820.db2.gz DWOONMCWANYLMR-UHFFFAOYSA-N 1 2 268.385 3.729 20 30 CHEDLO N#Cc1cc(F)cc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001175683372 1121430748 /nfs/dbraw/zinc/43/07/48/1121430748.db2.gz LPTHKMZGNNNIGR-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO Cc1cc(C#N)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175715222 1121434871 /nfs/dbraw/zinc/43/48/71/1121434871.db2.gz DKBFJPLLRRXHPX-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO CSc1ccc(C[N@H+](CCC#N)CC(C)(C)C)o1 ZINC000894003720 1121454711 /nfs/dbraw/zinc/45/47/11/1121454711.db2.gz OWFXUYNKZUKBQS-UHFFFAOYSA-N 1 2 266.410 3.763 20 30 CHEDLO CSc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)o1 ZINC000894003720 1121454716 /nfs/dbraw/zinc/45/47/16/1121454716.db2.gz OWFXUYNKZUKBQS-UHFFFAOYSA-N 1 2 266.410 3.763 20 30 CHEDLO CC[N@H+](Cc1ccoc1)Cc1ccc(Cl)cc1C#N ZINC000614166807 1121499935 /nfs/dbraw/zinc/49/99/35/1121499935.db2.gz QPBHKOLIQGPURK-UHFFFAOYSA-N 1 2 274.751 3.827 20 30 CHEDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(Cl)cc1C#N ZINC000614166807 1121499938 /nfs/dbraw/zinc/49/99/38/1121499938.db2.gz QPBHKOLIQGPURK-UHFFFAOYSA-N 1 2 274.751 3.827 20 30 CHEDLO C=C(C)CNc1[nH+]cccc1OCc1ccccc1F ZINC001163375622 1121552712 /nfs/dbraw/zinc/55/27/12/1121552712.db2.gz HJLMHJAMOGUTHS-UHFFFAOYSA-N 1 2 272.323 3.788 20 30 CHEDLO COc1cc[nH+]cc1Nc1ccc(C(C)(C)C#N)cc1 ZINC001176122900 1121558130 /nfs/dbraw/zinc/55/81/30/1121558130.db2.gz KVFUAXVJHZGPSV-UHFFFAOYSA-N 1 2 267.332 3.635 20 30 CHEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000619535442 1128996178 /nfs/dbraw/zinc/99/61/78/1128996178.db2.gz GQTQTWNVEJBWIQ-NSHDSACASA-N 1 2 278.783 3.521 20 30 CHEDLO CCCCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509801368 1121609470 /nfs/dbraw/zinc/60/94/70/1121609470.db2.gz BNKIWZVFSHGMCU-OAHLLOKOSA-N 1 2 274.408 3.847 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509801368 1121609472 /nfs/dbraw/zinc/60/94/72/1121609472.db2.gz BNKIWZVFSHGMCU-OAHLLOKOSA-N 1 2 274.408 3.847 20 30 CHEDLO CC[N@@H+](Cc1cnc(-c2ccccc2)s1)C[C@@H](C)C#N ZINC000509812286 1121617109 /nfs/dbraw/zinc/61/71/09/1121617109.db2.gz MPUPLKRWRSSVTG-ZDUSSCGKSA-N 1 2 285.416 3.792 20 30 CHEDLO CC[N@H+](Cc1cnc(-c2ccccc2)s1)C[C@@H](C)C#N ZINC000509812286 1121617111 /nfs/dbraw/zinc/61/71/11/1121617111.db2.gz MPUPLKRWRSSVTG-ZDUSSCGKSA-N 1 2 285.416 3.792 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)s1 ZINC000611442790 1121649022 /nfs/dbraw/zinc/64/90/22/1121649022.db2.gz ZEPRZPNEWGVSDW-LLVKDONJSA-N 1 2 297.427 3.972 20 30 CHEDLO CCOc1cc(Nc2ccc(F)c(C#N)c2)cc(C)[nH+]1 ZINC001176612223 1121659910 /nfs/dbraw/zinc/65/99/10/1121659910.db2.gz BOYNNRZQVSGBKF-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1C#N ZINC001176751147 1121688350 /nfs/dbraw/zinc/68/83/50/1121688350.db2.gz XACISVSHOJVHAT-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO CCCCCCCCCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001176878100 1121699061 /nfs/dbraw/zinc/69/90/61/1121699061.db2.gz CGCQQYXYITVYKL-UHFFFAOYSA-N 1 2 293.455 3.872 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1ccn(CC)n1)c1ccc(F)c(F)c1 ZINC001178523953 1121793323 /nfs/dbraw/zinc/79/33/23/1121793323.db2.gz CVGCCWOXNRYNMM-INIZCTEOSA-N 1 2 291.345 3.588 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730147769 1121794480 /nfs/dbraw/zinc/79/44/80/1121794480.db2.gz JSHTXYXIQDVTPY-SWLSCSKDSA-N 1 2 291.354 3.819 20 30 CHEDLO c1ccc2c(c1)CCCC2=NNc1cc[nH+]c2ccccc12 ZINC000730147419 1121795268 /nfs/dbraw/zinc/79/52/68/1121795268.db2.gz FBXVVGKJJBEYCZ-UHFFFAOYSA-N 1 2 287.366 3.809 20 30 CHEDLO C[C@@H](CC(C)(C)S)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953584 1121815930 /nfs/dbraw/zinc/81/59/30/1121815930.db2.gz BNLRVRXQKLDXRK-LBPRGKRZSA-N 1 2 276.405 3.738 20 30 CHEDLO Cc1cc(CNc2cc(C#N)ccc2OC(C)C)cc(C)[nH+]1 ZINC001178900598 1121829312 /nfs/dbraw/zinc/82/93/12/1121829312.db2.gz GCWZBILHQNGSLX-UHFFFAOYSA-N 1 2 295.386 3.969 20 30 CHEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCc3ccccc32)c(O)c1 ZINC000731937646 1121897377 /nfs/dbraw/zinc/89/73/77/1121897377.db2.gz LSFYSZIUKCBOCN-HYTQYMIGSA-N 1 2 295.382 3.940 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@@H+](C)[C@H](C)CC#N)c(C)c1 ZINC001180030815 1121939820 /nfs/dbraw/zinc/93/98/20/1121939820.db2.gz QADUBWLGLPGCDS-MWWKQMNYSA-N 1 2 256.393 3.859 20 30 CHEDLO Cc1cc(C)c(/C=C\C[N@H+](C)[C@H](C)CC#N)c(C)c1 ZINC001180030815 1121939827 /nfs/dbraw/zinc/93/98/27/1121939827.db2.gz QADUBWLGLPGCDS-MWWKQMNYSA-N 1 2 256.393 3.859 20 30 CHEDLO Cc1ccc(Nc2ccc(C(C)(C)C#N)nc2)c(C)[nH+]1 ZINC001203368321 1122082820 /nfs/dbraw/zinc/08/28/20/1122082820.db2.gz YOBFXIAVCIVXKA-UHFFFAOYSA-N 1 2 266.348 3.638 20 30 CHEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000035018798 1122148011 /nfs/dbraw/zinc/14/80/11/1122148011.db2.gz MRXWCPOTNWGHIC-UHFFFAOYSA-N 1 2 277.371 3.771 20 30 CHEDLO CO[C@@H]1CCC[C@@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000774543530 1122189089 /nfs/dbraw/zinc/18/90/89/1122189089.db2.gz XDKHMWANOCOLBN-LZAHHGRNSA-N 1 2 283.371 3.779 20 30 CHEDLO C#C[C@H](Nc1cc(C(C)C)[nH+]c(C(C)C)n1)C(C)C ZINC001186295875 1122383050 /nfs/dbraw/zinc/38/30/50/1122383050.db2.gz WLWDEIXZYJLJLI-ZDUSSCGKSA-N 1 2 259.397 3.793 20 30 CHEDLO CCCCCCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001191052136 1122567200 /nfs/dbraw/zinc/56/72/00/1122567200.db2.gz KMIKRJMHXRCLQC-UHFFFAOYSA-N 1 2 288.395 3.816 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)C1(C)C ZINC001191390328 1122595167 /nfs/dbraw/zinc/59/51/67/1122595167.db2.gz KRYXAOQYTDECBT-UHFFFAOYSA-N 1 2 261.796 3.812 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)C1(C)C ZINC001191390328 1122595172 /nfs/dbraw/zinc/59/51/72/1122595172.db2.gz KRYXAOQYTDECBT-UHFFFAOYSA-N 1 2 261.796 3.812 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1c1ccccc1 ZINC000469330849 1122600375 /nfs/dbraw/zinc/60/03/75/1122600375.db2.gz TYJAWTLPQZYQKT-ACJLOTCBSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1c1ccccc1 ZINC000469330849 1122600376 /nfs/dbraw/zinc/60/03/76/1122600376.db2.gz TYJAWTLPQZYQKT-ACJLOTCBSA-N 1 2 280.346 3.890 20 30 CHEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001194019960 1122739383 /nfs/dbraw/zinc/73/93/83/1122739383.db2.gz VZLPPZASKJYGOU-UHFFFAOYSA-N 1 2 293.411 3.805 20 30 CHEDLO N#CCc1ccc(C[N@H+]2Cc3ccc(Cl)cc3C2)cc1 ZINC001195021923 1122832224 /nfs/dbraw/zinc/83/22/24/1122832224.db2.gz JVYLGWAJFSNWDK-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO N#CCc1ccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)cc1 ZINC001195021923 1122832229 /nfs/dbraw/zinc/83/22/29/1122832229.db2.gz JVYLGWAJFSNWDK-UHFFFAOYSA-N 1 2 282.774 3.922 20 30 CHEDLO C=CC[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1cccs1 ZINC000120115413 1122862072 /nfs/dbraw/zinc/86/20/72/1122862072.db2.gz LCJWKURNGJGWQQ-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO C=CC[N@H+](Cc1cn2cc(C)ccc2n1)Cc1cccs1 ZINC000120115413 1122862074 /nfs/dbraw/zinc/86/20/74/1122862074.db2.gz LCJWKURNGJGWQQ-UHFFFAOYSA-N 1 2 297.427 3.892 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C#N)ccc1OC ZINC000154261780 1129085197 /nfs/dbraw/zinc/08/51/97/1129085197.db2.gz JCBNTIOTTTXGDP-UHFFFAOYSA-N 1 2 299.418 3.719 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C#N)ccc1OC ZINC000154261780 1129085201 /nfs/dbraw/zinc/08/52/01/1129085201.db2.gz JCBNTIOTTTXGDP-UHFFFAOYSA-N 1 2 299.418 3.719 20 30 CHEDLO N#Cc1ccc(C=CNc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001203303330 1122902574 /nfs/dbraw/zinc/90/25/74/1122902574.db2.gz QFXBMLPWNSHLDF-AATRIKPKSA-N 1 2 294.745 3.942 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1Cl ZINC000507187623 1122935478 /nfs/dbraw/zinc/93/54/78/1122935478.db2.gz CVXIRTVKRNDLFI-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1Cl ZINC000507187623 1122935480 /nfs/dbraw/zinc/93/54/80/1122935480.db2.gz CVXIRTVKRNDLFI-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO Cc1cccc2c1CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC000729480392 1123027394 /nfs/dbraw/zinc/02/73/94/1123027394.db2.gz XXEYJPILDKIMKS-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO Cc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC000729480392 1123027398 /nfs/dbraw/zinc/02/73/98/1123027398.db2.gz XXEYJPILDKIMKS-UHFFFAOYSA-N 1 2 280.346 3.564 20 30 CHEDLO CC[C@H](F)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000440788339 1123040519 /nfs/dbraw/zinc/04/05/19/1123040519.db2.gz VPSGOPKMAUUVFO-JYJNAYRXSA-N 1 2 260.356 3.506 20 30 CHEDLO CC[C@H](F)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000440788339 1123040522 /nfs/dbraw/zinc/04/05/22/1123040522.db2.gz VPSGOPKMAUUVFO-JYJNAYRXSA-N 1 2 260.356 3.506 20 30 CHEDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441165716 1123063393 /nfs/dbraw/zinc/06/33/93/1123063393.db2.gz IGAKKCFQRZLXMZ-GOSISDBHSA-N 1 2 298.817 3.867 20 30 CHEDLO Cn1cccc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441165716 1123063398 /nfs/dbraw/zinc/06/33/98/1123063398.db2.gz IGAKKCFQRZLXMZ-GOSISDBHSA-N 1 2 298.817 3.867 20 30 CHEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441174437 1123069395 /nfs/dbraw/zinc/06/93/95/1123069395.db2.gz PDFZMJBFQDEXEQ-OLZOCXBDSA-N 1 2 279.836 3.517 20 30 CHEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441174437 1123069400 /nfs/dbraw/zinc/06/94/00/1123069400.db2.gz PDFZMJBFQDEXEQ-OLZOCXBDSA-N 1 2 279.836 3.517 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(C#N)c(C#N)c2)cc1 ZINC001201496838 1123110126 /nfs/dbraw/zinc/11/01/26/1123110126.db2.gz AEZKRGIERDJDHV-UHFFFAOYSA-N 1 2 276.343 3.994 20 30 CHEDLO CC(C)[NH2+]c1ccc(-n2cc(C#N)c3cc(N)ccc32)cc1 ZINC001201498700 1123111129 /nfs/dbraw/zinc/11/11/29/1123111129.db2.gz CCBQCGOHOVCDCB-UHFFFAOYSA-N 1 2 290.370 3.905 20 30 CHEDLO CCCCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001201840094 1123155159 /nfs/dbraw/zinc/15/51/59/1123155159.db2.gz LYRJVIZMPORLDU-GFCCVEGCSA-N 1 2 267.335 3.610 20 30 CHEDLO CCCCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001201840094 1123155162 /nfs/dbraw/zinc/15/51/62/1123155162.db2.gz LYRJVIZMPORLDU-GFCCVEGCSA-N 1 2 267.335 3.610 20 30 CHEDLO C[NH+](C)c1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850198095 1123246048 /nfs/dbraw/zinc/24/60/48/1123246048.db2.gz GPQDANQCROFJIW-UHFFFAOYSA-N 1 2 291.398 3.920 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000428217594 1123282188 /nfs/dbraw/zinc/28/21/88/1123282188.db2.gz KBTIGPAJWBZHFM-UGSOOPFHSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000428217594 1123282193 /nfs/dbraw/zinc/28/21/93/1123282193.db2.gz KBTIGPAJWBZHFM-UGSOOPFHSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000850571906 1123295175 /nfs/dbraw/zinc/29/51/75/1123295175.db2.gz FDXANBINMCDKBC-GFCCVEGCSA-N 1 2 296.361 3.921 20 30 CHEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000185790843 1123613852 /nfs/dbraw/zinc/61/38/52/1123613852.db2.gz ZRUADICHYVMEBN-HUUCEWRRSA-N 1 2 284.407 3.566 20 30 CHEDLO N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000185790821 1123614375 /nfs/dbraw/zinc/61/43/75/1123614375.db2.gz ZRUADICHYVMEBN-GJZGRUSLSA-N 1 2 284.407 3.566 20 30 CHEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857974366 1123627549 /nfs/dbraw/zinc/62/75/49/1123627549.db2.gz GTNWNWNNYPKOKZ-HUUCEWRRSA-N 1 2 291.439 3.831 20 30 CHEDLO COC1(CC/[NH+]=C/c2c(O)ccc3ccccc32)CCC1 ZINC000840707600 1123730809 /nfs/dbraw/zinc/73/08/09/1123730809.db2.gz WUXXYKFXGBDEDJ-CPNJWEJPSA-N 1 2 283.371 3.924 20 30 CHEDLO CC(C)(C)c1cn(CCCOc2cccc(C#N)c2)c[nH+]1 ZINC000865376211 1123976758 /nfs/dbraw/zinc/97/67/58/1123976758.db2.gz DNZJNWJNFVMAAP-UHFFFAOYSA-N 1 2 283.375 3.521 20 30 CHEDLO N#Cc1cccc(C[NH2+]C2(c3ccccc3F)CC2)c1F ZINC000341850458 1124002533 /nfs/dbraw/zinc/00/25/33/1124002533.db2.gz DIKUQCHYGIRJDM-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866222427 1124038219 /nfs/dbraw/zinc/03/82/19/1124038219.db2.gz DAVLRERRWLVJRF-RYUDHWBXSA-N 1 2 286.400 3.607 20 30 CHEDLO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866239729 1124040501 /nfs/dbraw/zinc/04/05/01/1124040501.db2.gz XIGXGTHEVSVBCK-RYUDHWBXSA-N 1 2 286.400 3.607 20 30 CHEDLO C=CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccncc1 ZINC000866268324 1124044794 /nfs/dbraw/zinc/04/47/94/1124044794.db2.gz SLNKVSDARDWYPH-RYRKJORJSA-N 1 2 298.361 3.760 20 30 CHEDLO C=CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccncc1 ZINC000866268323 1124044880 /nfs/dbraw/zinc/04/48/80/1124044880.db2.gz SLNKVSDARDWYPH-BQFCYCMXSA-N 1 2 298.361 3.760 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866294031 1124048242 /nfs/dbraw/zinc/04/82/42/1124048242.db2.gz JRBOUIJOPXRQOW-DIFFPNOSSA-N 1 2 296.345 3.741 20 30 CHEDLO N#Cc1cc(C(F)(F)F)ccc1-c1cccc2[nH+]ccn21 ZINC001238842660 1131254762 /nfs/dbraw/zinc/25/47/62/1131254762.db2.gz MXUVKCNHAMEYHU-UHFFFAOYSA-N 1 2 287.244 3.892 20 30 CHEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000269396567 1124490234 /nfs/dbraw/zinc/49/02/34/1124490234.db2.gz FASAGDITWGPYPR-UHFFFAOYSA-N 1 2 292.386 3.556 20 30 CHEDLO C[C@H](C#N)C[N@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000526057079 1124502444 /nfs/dbraw/zinc/50/24/44/1124502444.db2.gz HQCUAQDLAKDXHY-YWVDXFKGSA-N 1 2 274.795 3.977 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000526057079 1124502452 /nfs/dbraw/zinc/50/24/52/1124502452.db2.gz HQCUAQDLAKDXHY-YWVDXFKGSA-N 1 2 274.795 3.977 20 30 CHEDLO CN1CCCc2cc([NH2+]CC(C)(C)CCC#N)ccc21 ZINC000123332568 1124587875 /nfs/dbraw/zinc/58/78/75/1124587875.db2.gz PJMNZGNXLYEEFZ-UHFFFAOYSA-N 1 2 271.408 3.811 20 30 CHEDLO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000872139071 1124694379 /nfs/dbraw/zinc/69/43/79/1124694379.db2.gz DZULWHYPOVXQES-NQBHXWOUSA-N 1 2 279.330 3.513 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C)cc1 ZINC000820598886 1131296558 /nfs/dbraw/zinc/29/65/58/1131296558.db2.gz LXKGOIXAHFGSOP-UHFFFAOYSA-N 1 2 280.371 3.794 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3cccs3)c[nH+]c12 ZINC000125216667 1124870931 /nfs/dbraw/zinc/87/09/31/1124870931.db2.gz VKZBYKDSWAGGSA-VOTSOKGWSA-N 1 2 268.341 3.600 20 30 CHEDLO Nc1ccc(/C=C\C(=O)c2cc(Cl)sc2Cl)c[nH+]1 ZINC000821039961 1131316724 /nfs/dbraw/zinc/31/67/24/1131316724.db2.gz UNAKHFGAZOJJMC-IWQZZHSRSA-N 1 2 299.182 3.928 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)Cc2ccccc21 ZINC000876542972 1124958808 /nfs/dbraw/zinc/95/88/08/1124958808.db2.gz BSMSFQQKOUNJIZ-GFCCVEGCSA-N 1 2 297.789 3.726 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)Cc2ccccc21 ZINC000876542972 1124958816 /nfs/dbraw/zinc/95/88/16/1124958816.db2.gz BSMSFQQKOUNJIZ-GFCCVEGCSA-N 1 2 297.789 3.726 20 30 CHEDLO N#CC1CCC(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000876820909 1124981523 /nfs/dbraw/zinc/98/15/23/1124981523.db2.gz VTNOIQCZJPZRCD-UHFFFAOYSA-N 1 2 269.392 3.781 20 30 CHEDLO N#CC1CCC([NH2+]c2ccc(N3CCCC3)cc2)CC1 ZINC000876820909 1124981526 /nfs/dbraw/zinc/98/15/26/1124981526.db2.gz VTNOIQCZJPZRCD-UHFFFAOYSA-N 1 2 269.392 3.781 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000877367018 1125024117 /nfs/dbraw/zinc/02/41/17/1125024117.db2.gz YQJAOCATPNKFIC-SNVBAGLBSA-N 1 2 290.260 3.506 20 30 CHEDLO N#CC1(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)CCC1 ZINC000450672601 1125083664 /nfs/dbraw/zinc/08/36/64/1125083664.db2.gz HYTWSLBDBIZTMU-CYBMUJFWSA-N 1 2 282.309 3.964 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451656031 1125173034 /nfs/dbraw/zinc/17/30/34/1125173034.db2.gz SAYZMZWRVMCMHV-HNNXBMFYSA-N 1 2 292.835 3.539 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451656031 1125173035 /nfs/dbraw/zinc/17/30/35/1125173035.db2.gz SAYZMZWRVMCMHV-HNNXBMFYSA-N 1 2 292.835 3.539 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccccc1OC(C)C ZINC001137139051 1125184842 /nfs/dbraw/zinc/18/48/42/1125184842.db2.gz CUSVGKOIEQMDBV-UHFFFAOYSA-N 1 2 260.381 3.599 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccccc1OC(C)C ZINC001137139051 1125184847 /nfs/dbraw/zinc/18/48/47/1125184847.db2.gz CUSVGKOIEQMDBV-UHFFFAOYSA-N 1 2 260.381 3.599 20 30 CHEDLO N#CCC[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880350632 1125267353 /nfs/dbraw/zinc/26/73/53/1125267353.db2.gz DXMLPHFZBKMADS-UHFFFAOYSA-N 1 2 299.599 3.595 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000880389091 1125270870 /nfs/dbraw/zinc/27/08/70/1125270870.db2.gz RBAVSAIPZVBBCF-HNNXBMFYSA-N 1 2 271.364 3.565 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2ccc(OC)cc2C#N)cc1 ZINC001212786308 1125307297 /nfs/dbraw/zinc/30/72/97/1125307297.db2.gz ORWUJVYDSYXFOX-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2ccc(OC)cc2C#N)cc1 ZINC001212786308 1125307298 /nfs/dbraw/zinc/30/72/98/1125307298.db2.gz ORWUJVYDSYXFOX-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Br)s1 ZINC000042530713 1125392191 /nfs/dbraw/zinc/39/21/91/1125392191.db2.gz YDYATJZPRROATQ-UHFFFAOYSA-N 1 2 287.226 3.635 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Br)s1 ZINC000042530713 1125392193 /nfs/dbraw/zinc/39/21/93/1125392193.db2.gz YDYATJZPRROATQ-UHFFFAOYSA-N 1 2 287.226 3.635 20 30 CHEDLO Cc1ccc2c(Nc3nc(C)c(C#N)cc3C#N)cccc2[nH+]1 ZINC001212795129 1125416073 /nfs/dbraw/zinc/41/60/73/1125416073.db2.gz PTJGFTZSGHOOIK-UHFFFAOYSA-N 1 2 299.337 3.734 20 30 CHEDLO C=CC[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000123693267 1125431705 /nfs/dbraw/zinc/43/17/05/1125431705.db2.gz RHKTXVUKSZPRCJ-UHFFFAOYSA-N 1 2 277.371 3.751 20 30 CHEDLO C=CC[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000123693267 1125431706 /nfs/dbraw/zinc/43/17/06/1125431706.db2.gz RHKTXVUKSZPRCJ-UHFFFAOYSA-N 1 2 277.371 3.751 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)c1cnc(C)nc1C ZINC000637966248 1129239465 /nfs/dbraw/zinc/23/94/65/1129239465.db2.gz OZWXUNGJZXFENL-AWEZNQCLSA-N 1 2 299.393 3.982 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)c1cnc(C)nc1C ZINC000637966248 1129239467 /nfs/dbraw/zinc/23/94/67/1129239467.db2.gz OZWXUNGJZXFENL-AWEZNQCLSA-N 1 2 299.393 3.982 20 30 CHEDLO C=C(Cl)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000734854186 1129324986 /nfs/dbraw/zinc/32/49/86/1129324986.db2.gz MYHJQLRBNBUGHN-AWEZNQCLSA-N 1 2 267.825 3.837 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000734854186 1129324991 /nfs/dbraw/zinc/32/49/91/1129324991.db2.gz MYHJQLRBNBUGHN-AWEZNQCLSA-N 1 2 267.825 3.837 20 30 CHEDLO C=CC[N@@H+](C)Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000639595414 1129325015 /nfs/dbraw/zinc/32/50/15/1129325015.db2.gz HSWAVXUFLZMXRS-UHFFFAOYSA-N 1 2 296.292 3.978 20 30 CHEDLO C=CC[N@H+](C)Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000639595414 1129325018 /nfs/dbraw/zinc/32/50/18/1129325018.db2.gz HSWAVXUFLZMXRS-UHFFFAOYSA-N 1 2 296.292 3.978 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@H](C)c2cccc(C)c2)c1 ZINC000741165067 1129431069 /nfs/dbraw/zinc/43/10/69/1129431069.db2.gz FTZVGRHQEIOXFY-YQNUULROSA-N 1 2 283.371 3.932 20 30 CHEDLO Cc1cccc2c(CC/[NH+]=C/c3ccccc3O)c[nH]c21 ZINC000741466531 1129436763 /nfs/dbraw/zinc/43/67/63/1129436763.db2.gz UTZXCEQWTJKTGV-YBFXNURJSA-N 1 2 278.355 3.844 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cccs1 ZINC000737445259 1129450475 /nfs/dbraw/zinc/45/04/75/1129450475.db2.gz ZFGIGZNCGVBSHJ-PLNGDYQASA-N 1 2 288.759 3.945 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000645257811 1129493461 /nfs/dbraw/zinc/49/34/61/1129493461.db2.gz HOCHTTXHJBXXPS-CJNGLKHVSA-N 1 2 277.795 3.515 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000645257811 1129493464 /nfs/dbraw/zinc/49/34/64/1129493464.db2.gz HOCHTTXHJBXXPS-CJNGLKHVSA-N 1 2 277.795 3.515 20 30 CHEDLO CCCCOc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001138957093 1129583451 /nfs/dbraw/zinc/58/34/51/1129583451.db2.gz YXOUVOFTGMZWKK-MRXNPFEDSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001138957093 1129583453 /nfs/dbraw/zinc/58/34/53/1129583453.db2.gz YXOUVOFTGMZWKK-MRXNPFEDSA-N 1 2 272.392 3.601 20 30 CHEDLO Cc1cc2cc[nH]c2c(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001169951381 1129767384 /nfs/dbraw/zinc/76/73/84/1129767384.db2.gz NLKHTZMLBAKSCU-UHFFFAOYSA-N 1 2 269.348 3.556 20 30 CHEDLO N#CCC1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000766890867 1129768790 /nfs/dbraw/zinc/76/87/90/1129768790.db2.gz ZOBCLDARRNUHNP-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO Fc1ccc(C=NNc2cc[nH+]c3ccccc23)c(Cl)c1 ZINC000767782625 1129813946 /nfs/dbraw/zinc/81/39/46/1129813946.db2.gz QGMALKSRACDSOQ-UHFFFAOYSA-N 1 2 299.736 3.895 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982102 1129830350 /nfs/dbraw/zinc/83/03/50/1129830350.db2.gz JFSLYWGJQDNJOB-UHFFFAOYSA-N 1 2 280.387 3.684 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139029365 1129834807 /nfs/dbraw/zinc/83/48/07/1129834807.db2.gz VQVBXDUFQMGRGD-JKSUJKDBSA-N 1 2 281.346 3.523 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139029365 1129834811 /nfs/dbraw/zinc/83/48/11/1129834811.db2.gz VQVBXDUFQMGRGD-JKSUJKDBSA-N 1 2 281.346 3.523 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc(C)c1F ZINC000769608586 1129918961 /nfs/dbraw/zinc/91/89/61/1129918961.db2.gz DKNWENVUGMKUTL-SREVYHEPSA-N 1 2 294.329 3.986 20 30 CHEDLO O=C1c2ccccc2CCC/C1=C/c1cccc2[nH+]ccn21 ZINC000769602660 1129919216 /nfs/dbraw/zinc/91/92/16/1129919216.db2.gz OKJAARNAWBNTMN-SQFISAMPSA-N 1 2 288.350 3.937 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(OC(C)C)cc1 ZINC000901437859 1129925483 /nfs/dbraw/zinc/92/54/83/1129925483.db2.gz INCDXIBUWSPVFE-YFHOEESVSA-N 1 2 284.359 3.586 20 30 CHEDLO CSc1ccc2c(c1)CC/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901465976 1129927534 /nfs/dbraw/zinc/92/75/34/1129927534.db2.gz GLXJRQQMSOCEOR-LCYFTJDESA-N 1 2 298.411 3.961 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1C ZINC000901476580 1129928224 /nfs/dbraw/zinc/92/82/24/1129928224.db2.gz JPDZNWAXJNYGQT-HJWRWDBZSA-N 1 2 268.360 3.977 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(c(F)ccc2F)C1=O ZINC000901487081 1129929691 /nfs/dbraw/zinc/92/96/91/1129929691.db2.gz ZQISFIHYAQSSDU-BJMVGYQFSA-N 1 2 288.297 3.565 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)CC2 ZINC000901486305 1129929811 /nfs/dbraw/zinc/92/98/11/1129929811.db2.gz AQHMAYBXRLRQHW-OQLLNIDSSA-N 1 2 280.371 3.985 20 30 CHEDLO COc1cc(C)c(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1C ZINC000901492088 1129930139 /nfs/dbraw/zinc/93/01/39/1129930139.db2.gz UHECJMXTEHIJJM-VOTSOKGWSA-N 1 2 284.359 3.548 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 ZINC000901488828 1129930174 /nfs/dbraw/zinc/93/01/74/1129930174.db2.gz INUCIBBWFXUNCX-FSEGOYHTSA-N 1 2 278.355 3.603 20 30 CHEDLO CC(C)c1nc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cs1 ZINC000901490168 1129930601 /nfs/dbraw/zinc/93/06/01/1129930601.db2.gz NMFBPYHYALJJCI-WAYWQWQTSA-N 1 2 289.404 3.940 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccccc2[C@H]1C(C)C ZINC000901500911 1129932198 /nfs/dbraw/zinc/93/21/98/1129932198.db2.gz UTQWPGIZHJRQDN-JDZKTDJGSA-N 1 2 280.371 3.923 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cccc(C2CC2)c1 ZINC000901515034 1129933489 /nfs/dbraw/zinc/93/34/89/1129933489.db2.gz YDRYTSHICKIHIV-HJWRWDBZSA-N 1 2 266.344 3.677 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000769975915 1129933843 /nfs/dbraw/zinc/93/38/43/1129933843.db2.gz OJPZBHALDFHAPZ-GFCCVEGCSA-N 1 2 262.422 3.644 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC000769975915 1129933845 /nfs/dbraw/zinc/93/38/45/1129933845.db2.gz OJPZBHALDFHAPZ-GFCCVEGCSA-N 1 2 262.422 3.644 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C)c(C)s1)[C@@H]1CCc2ccccc21 ZINC000746504079 1129946910 /nfs/dbraw/zinc/94/69/10/1129946910.db2.gz XXRQCQDWGBSHOH-QGZVFWFLSA-N 1 2 296.439 3.883 20 30 CHEDLO C#CC[N@H+](Cc1nc(C)c(C)s1)[C@@H]1CCc2ccccc21 ZINC000746504079 1129946914 /nfs/dbraw/zinc/94/69/14/1129946914.db2.gz XXRQCQDWGBSHOH-QGZVFWFLSA-N 1 2 296.439 3.883 20 30 CHEDLO C#CCOc1ccc(CNc2ccc([NH+](C)C)c(C)c2)cc1 ZINC000770526866 1129950206 /nfs/dbraw/zinc/95/02/06/1129950206.db2.gz DOPZFSDYFCPALG-UHFFFAOYSA-N 1 2 294.398 3.685 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1cc(C#N)ccn1 ZINC000902891154 1130080382 /nfs/dbraw/zinc/08/03/82/1130080382.db2.gz OGFLBFNNLGYYIN-WDEREUQCSA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cc(C#N)ccn1 ZINC000902934878 1130086191 /nfs/dbraw/zinc/08/61/91/1130086191.db2.gz QZVZQMSQOAGFRV-ZDUSSCGKSA-N 1 2 292.386 3.509 20 30 CHEDLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cc(C#N)ccn1 ZINC000902934878 1130086198 /nfs/dbraw/zinc/08/61/98/1130086198.db2.gz QZVZQMSQOAGFRV-ZDUSSCGKSA-N 1 2 292.386 3.509 20 30 CHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903220734 1130132093 /nfs/dbraw/zinc/13/20/93/1130132093.db2.gz NQCAJJOLCKCDMK-CYBMUJFWSA-N 1 2 290.794 3.619 20 30 CHEDLO CC(C)(C)c1coc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000903313800 1130152627 /nfs/dbraw/zinc/15/26/27/1130152627.db2.gz ZUACEILCAYAKBE-HNNXBMFYSA-N 1 2 295.386 3.621 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(-c2cc(F)c(C#N)c(F)c2)c1 ZINC001239931668 1130157181 /nfs/dbraw/zinc/15/71/81/1130157181.db2.gz YOMUILVYMSPRPZ-UHFFFAOYSA-N 1 2 295.292 3.904 20 30 CHEDLO C#CCCC[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000788779100 1130211129 /nfs/dbraw/zinc/21/11/29/1130211129.db2.gz UWHUKKYCDJUQNZ-OAHLLOKOSA-N 1 2 281.346 3.783 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(-c2ccc(C#N)c(F)c2)c1 ZINC001240156438 1130226699 /nfs/dbraw/zinc/22/66/99/1130226699.db2.gz CCUOVTGRAWWOAR-UHFFFAOYSA-N 1 2 277.302 3.765 20 30 CHEDLO N#CC1(c2ccc(-c3ccc4[nH+]ccn4c3)cc2)CCC1 ZINC001240219130 1130236798 /nfs/dbraw/zinc/23/67/98/1130236798.db2.gz AZBNTZTUKKCXIQ-UHFFFAOYSA-N 1 2 273.339 3.947 20 30 CHEDLO COc1cccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)c1 ZINC000748994189 1130258167 /nfs/dbraw/zinc/25/81/67/1130258167.db2.gz JTZFDTSFWYHZIN-KTKRTIGZSA-N 1 2 292.338 3.547 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)s1 ZINC000748997788 1130258307 /nfs/dbraw/zinc/25/83/07/1130258307.db2.gz HODBABZKXDECIV-BQYQJAHWSA-N 1 2 282.368 3.909 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)ccc1O ZINC000749000032 1130258799 /nfs/dbraw/zinc/25/87/99/1130258799.db2.gz ZXXRGAYYZGSNRL-VQHVLOKHSA-N 1 2 292.338 3.553 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000749115888 1130265656 /nfs/dbraw/zinc/26/56/56/1130265656.db2.gz UOUSVWQZZBWLNR-ZWNOBZJWSA-N 1 2 266.182 3.588 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000749115888 1130265659 /nfs/dbraw/zinc/26/56/59/1130265659.db2.gz UOUSVWQZZBWLNR-ZWNOBZJWSA-N 1 2 266.182 3.588 20 30 CHEDLO CCc1cc(-c2ccn3cc[nH+]c3c2)cc(CC)c1C#N ZINC001240513402 1130337742 /nfs/dbraw/zinc/33/77/42/1130337742.db2.gz QKAQZBPZLXMTEP-UHFFFAOYSA-N 1 2 275.355 3.998 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1nn(C)c2ccccc12 ZINC000678123897 1130355824 /nfs/dbraw/zinc/35/58/24/1130355824.db2.gz ASOIQVYZHHSSRA-UHFFFAOYSA-N 1 2 297.427 3.823 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1nn(C)c2ccccc12 ZINC000678123897 1130355829 /nfs/dbraw/zinc/35/58/29/1130355829.db2.gz ASOIQVYZHHSSRA-UHFFFAOYSA-N 1 2 297.427 3.823 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791459821 1130378180 /nfs/dbraw/zinc/37/81/80/1130378180.db2.gz UWVVMOJBSBTXHB-SFHVURJKSA-N 1 2 298.386 3.826 20 30 CHEDLO Cc1cc(F)cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001240595507 1130379094 /nfs/dbraw/zinc/37/90/94/1130379094.db2.gz LHCLITVEWOBNRR-RGVLZGJSSA-N 1 2 281.334 3.894 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(C)ccc1Br ZINC001137385104 1130549883 /nfs/dbraw/zinc/54/98/83/1130549883.db2.gz RMEXIGZCNDWTEU-UHFFFAOYSA-N 1 2 280.209 3.932 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(N(C)C)c2)cc1C#N ZINC001240985962 1130552879 /nfs/dbraw/zinc/55/28/79/1130552879.db2.gz HPCLOXWMQFKZPQ-DEDYPNTBSA-N 1 2 292.386 3.513 20 30 CHEDLO CC(=[NH+]Nc1cc([N+](=O)[O-])ccc1C)c1ccc(N)cc1C ZINC000758118529 1130598246 /nfs/dbraw/zinc/59/82/46/1130598246.db2.gz YTOWAUJVRKTYNO-UHFFFAOYSA-N 1 2 298.346 3.630 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000759332411 1130651802 /nfs/dbraw/zinc/65/18/02/1130651802.db2.gz LLSXOLXRTWZZNU-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000759332411 1130651805 /nfs/dbraw/zinc/65/18/05/1130651805.db2.gz LLSXOLXRTWZZNU-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C#C[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccc(F)cc1 ZINC000812486019 1130697098 /nfs/dbraw/zinc/69/70/98/1130697098.db2.gz BVHJEXNFOVBJFU-OAHLLOKOSA-N 1 2 281.334 3.588 20 30 CHEDLO CCc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)o1 ZINC000783710988 1130850936 /nfs/dbraw/zinc/85/09/36/1130850936.db2.gz QAPGSTQAVLVHHK-SNAWJCMRSA-N 1 2 298.367 3.985 20 30 CHEDLO CCC(=[NH+]Nc1ccc(F)cc1F)c1cccc(N)c1 ZINC000814686672 1130899647 /nfs/dbraw/zinc/89/96/47/1130899647.db2.gz VWLQEOLFYNXMLS-UHFFFAOYSA-N 1 2 275.302 3.773 20 30 CHEDLO CCC(=[NH+]Nc1ccccc1F)c1cccc(N)c1 ZINC000814790778 1130911962 /nfs/dbraw/zinc/91/19/62/1130911962.db2.gz YNVJFDNRFCARDW-UHFFFAOYSA-N 1 2 257.312 3.634 20 30 CHEDLO CC(C)(S)CNc1[nH+]cccc1OCc1ccccc1 ZINC001159268779 1130951890 /nfs/dbraw/zinc/95/18/90/1130951890.db2.gz YUHCXYCXXVUNIQ-UHFFFAOYSA-N 1 2 288.416 3.781 20 30 CHEDLO Cc1c(F)ccc(C[NH+]2CCC(C#N)CC2)c1Cl ZINC001236714609 1130998153 /nfs/dbraw/zinc/99/81/53/1130998153.db2.gz VHDAWFDDBLDWQH-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO CSc1ccc(CC/[NH+]=C/c2ccccc2O)cc1 ZINC000797784743 1131001916 /nfs/dbraw/zinc/00/19/16/1131001916.db2.gz HBAVCBMUXNEDOR-SFQUDFHCSA-N 1 2 271.385 3.776 20 30 CHEDLO C=CCC(C)(C)c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000815705775 1131020626 /nfs/dbraw/zinc/02/06/26/1131020626.db2.gz AKTRKCMQRFIGHN-UHFFFAOYSA-N 1 2 294.358 3.776 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237080921 1131046833 /nfs/dbraw/zinc/04/68/33/1131046833.db2.gz HNFCFFHMLXIUCP-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237080921 1131046837 /nfs/dbraw/zinc/04/68/37/1131046837.db2.gz HNFCFFHMLXIUCP-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO CCCCCCC[N@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC001237348087 1131089172 /nfs/dbraw/zinc/08/91/72/1131089172.db2.gz OQJYMULWULRELW-UHFFFAOYSA-N 1 2 298.452 3.722 20 30 CHEDLO CCCCCCC[N@@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC001237348087 1131089175 /nfs/dbraw/zinc/08/91/75/1131089175.db2.gz OQJYMULWULRELW-UHFFFAOYSA-N 1 2 298.452 3.722 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C)c1Cl)Cc1ccccc1 ZINC000816594501 1131110302 /nfs/dbraw/zinc/11/03/02/1131110302.db2.gz GOJFUJCRWWENRK-UHFFFAOYSA-N 1 2 289.810 3.652 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C)c1Cl)Cc1ccccc1 ZINC000816594501 1131110304 /nfs/dbraw/zinc/11/03/04/1131110304.db2.gz GOJFUJCRWWENRK-UHFFFAOYSA-N 1 2 289.810 3.652 20 30 CHEDLO C=CC[N@H+](Cc1cc(Cl)c(O)cc1F)C(C)(C)C ZINC001238153857 1131176593 /nfs/dbraw/zinc/17/65/93/1131176593.db2.gz HFOIMQHAZZDQCM-UHFFFAOYSA-N 1 2 271.763 3.971 20 30 CHEDLO C=CC[N@@H+](Cc1cc(Cl)c(O)cc1F)C(C)(C)C ZINC001238153857 1131176594 /nfs/dbraw/zinc/17/65/94/1131176594.db2.gz HFOIMQHAZZDQCM-UHFFFAOYSA-N 1 2 271.763 3.971 20 30 CHEDLO CC(C)c1cc(C[NH+]2CC(CC#N)C2)ccc1Cl ZINC001238217964 1131183546 /nfs/dbraw/zinc/18/35/46/1131183546.db2.gz LRIRNBXORNZIJY-UHFFFAOYSA-N 1 2 262.784 3.809 20 30 CHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000818347778 1131208931 /nfs/dbraw/zinc/20/89/31/1131208931.db2.gz UYWQGKMLPMRYMO-GLQYFDAESA-N 1 2 295.810 3.677 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238635764 1131226752 /nfs/dbraw/zinc/22/67/52/1131226752.db2.gz WIXJZCWOGJQRQV-UHFFFAOYSA-N 1 2 285.778 3.747 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238635764 1131226756 /nfs/dbraw/zinc/22/67/56/1131226756.db2.gz WIXJZCWOGJQRQV-UHFFFAOYSA-N 1 2 285.778 3.747 20 30 CHEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001143371356 1131517933 /nfs/dbraw/zinc/51/79/33/1131517933.db2.gz PXCWBKMVQPYEAG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001143371356 1131517938 /nfs/dbraw/zinc/51/79/38/1131517938.db2.gz PXCWBKMVQPYEAG-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO Cc1c(F)cc(F)cc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001143758009 1131531663 /nfs/dbraw/zinc/53/16/63/1131531663.db2.gz UMPFBVWZGVWOEG-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1c(F)cc(F)cc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001143758009 1131531667 /nfs/dbraw/zinc/53/16/67/1131531667.db2.gz UMPFBVWZGVWOEG-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO C=C(C)COc1ccccc1C[N@H+](CCC)CCC#N ZINC001138664162 1131534246 /nfs/dbraw/zinc/53/42/46/1131534246.db2.gz KUGBIDARGAFLKH-UHFFFAOYSA-N 1 2 272.392 3.767 20 30 CHEDLO C=C(C)COc1ccccc1C[N@@H+](CCC)CCC#N ZINC001138664162 1131534250 /nfs/dbraw/zinc/53/42/50/1131534250.db2.gz KUGBIDARGAFLKH-UHFFFAOYSA-N 1 2 272.392 3.767 20 30 CHEDLO CCCOc1ccccc1C[N@H+](CCC)CCC#N ZINC001139001243 1131569996 /nfs/dbraw/zinc/56/99/96/1131569996.db2.gz AZTQSFHOKLFZLO-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO CCCOc1ccccc1C[N@@H+](CCC)CCC#N ZINC001139001243 1131570000 /nfs/dbraw/zinc/57/00/00/1131570000.db2.gz AZTQSFHOKLFZLO-UHFFFAOYSA-N 1 2 260.381 3.601 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001139029363 1131574349 /nfs/dbraw/zinc/57/43/49/1131574349.db2.gz VQVBXDUFQMGRGD-HOTGVXAUSA-N 1 2 281.346 3.523 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001139029363 1131574352 /nfs/dbraw/zinc/57/43/52/1131574352.db2.gz VQVBXDUFQMGRGD-HOTGVXAUSA-N 1 2 281.346 3.523 20 30 CHEDLO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001139418799 1131608196 /nfs/dbraw/zinc/60/81/96/1131608196.db2.gz XKFNPKDDVONBRC-UHFFFAOYSA-N 1 2 283.758 3.668 20 30 CHEDLO C#CC[N@@H+](C)Cc1ccc2ccccc2c1Br ZINC001144313079 1131617832 /nfs/dbraw/zinc/61/78/32/1131617832.db2.gz RFTDDOYBNDXJCT-UHFFFAOYSA-N 1 2 288.188 3.667 20 30 CHEDLO C#CC[N@H+](C)Cc1ccc2ccccc2c1Br ZINC001144313079 1131617834 /nfs/dbraw/zinc/61/78/34/1131617834.db2.gz RFTDDOYBNDXJCT-UHFFFAOYSA-N 1 2 288.188 3.667 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc2oc3ccccc3c2c1 ZINC001139751266 1131634895 /nfs/dbraw/zinc/63/48/95/1131634895.db2.gz IKPMNVLZDJLDHL-UHFFFAOYSA-N 1 2 264.328 3.931 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc2oc3ccccc3c2c1 ZINC001139751266 1131634908 /nfs/dbraw/zinc/63/49/08/1131634908.db2.gz IKPMNVLZDJLDHL-UHFFFAOYSA-N 1 2 264.328 3.931 20 30 CHEDLO C=CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845520516 1131639659 /nfs/dbraw/zinc/63/96/59/1131639659.db2.gz ALEFBUZNDRQQAV-GDBMZVCRSA-N 1 2 284.359 3.695 20 30 CHEDLO COc1ccc2c(NCC3(C#N)CCCC3)cc[nH+]c2c1 ZINC000845619125 1131647132 /nfs/dbraw/zinc/64/71/32/1131647132.db2.gz DISYWIMIDRRPAC-UHFFFAOYSA-N 1 2 281.359 3.739 20 30 CHEDLO C=CC[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000845914548 1131668100 /nfs/dbraw/zinc/66/81/00/1131668100.db2.gz ZMYLREYQNUFQMJ-DOTOQJQBSA-N 1 2 286.419 3.680 20 30 CHEDLO C=CCCCCCCCCC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001144798542 1131709050 /nfs/dbraw/zinc/70/90/50/1131709050.db2.gz UVVBRUVJAPAOQR-UHFFFAOYSA-N 1 2 291.439 3.684 20 30 CHEDLO C=CC[N@@H+](C)Cc1sc(NC(C)(C)C)nc1Cl ZINC001140392252 1131711740 /nfs/dbraw/zinc/71/17/40/1131711740.db2.gz DIJYPMKRUQNCIU-UHFFFAOYSA-N 1 2 273.833 3.625 20 30 CHEDLO C=CC[N@H+](C)Cc1sc(NC(C)(C)C)nc1Cl ZINC001140392252 1131711743 /nfs/dbraw/zinc/71/17/43/1131711743.db2.gz DIJYPMKRUQNCIU-UHFFFAOYSA-N 1 2 273.833 3.625 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)Cc2ccccc2)ccc1O ZINC001140574753 1131800634 /nfs/dbraw/zinc/80/06/34/1131800634.db2.gz PMWKVPFQFVLOKC-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)Cc2ccccc2)ccc1O ZINC001140574753 1131800641 /nfs/dbraw/zinc/80/06/41/1131800641.db2.gz PMWKVPFQFVLOKC-UHFFFAOYSA-N 1 2 280.371 3.617 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Cl)cn1 ZINC001140604205 1131824689 /nfs/dbraw/zinc/82/46/89/1131824689.db2.gz UNPRYCOISLMJRK-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Cl)cn1 ZINC001140604205 1131824691 /nfs/dbraw/zinc/82/46/91/1131824691.db2.gz UNPRYCOISLMJRK-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO CC[N@H+](Cc1cccnc1)Cc1cccc(C#N)c1Cl ZINC001140809899 1131933349 /nfs/dbraw/zinc/93/33/49/1131933349.db2.gz MJCJRKRJUXJIKT-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1Cl ZINC001140809899 1131933354 /nfs/dbraw/zinc/93/33/54/1131933354.db2.gz MJCJRKRJUXJIKT-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H](F)C2)c1Cl ZINC001140808003 1131933486 /nfs/dbraw/zinc/93/34/86/1131933486.db2.gz JJQAIYAMTPVTOL-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)c1Cl ZINC001140808003 1131933487 /nfs/dbraw/zinc/93/34/87/1131933487.db2.gz JJQAIYAMTPVTOL-CYBMUJFWSA-N 1 2 266.747 3.536 20 30 CHEDLO CN(C)c1cccc(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001141257370 1132062738 /nfs/dbraw/zinc/06/27/38/1132062738.db2.gz BTIMCPFZVVDZJJ-UHFFFAOYSA-N 1 2 293.414 3.668 20 30 CHEDLO CN(C)c1cccc(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001141257370 1132062746 /nfs/dbraw/zinc/06/27/46/1132062746.db2.gz BTIMCPFZVVDZJJ-UHFFFAOYSA-N 1 2 293.414 3.668 20 30 CHEDLO C=CCC(CC=C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229952138 1132135561 /nfs/dbraw/zinc/13/55/61/1132135561.db2.gz YPWJMEOTRWDNLQ-UHFFFAOYSA-N 1 2 254.333 3.772 20 30 CHEDLO C[C@@H](C#C[Si](C)(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954998 1132136851 /nfs/dbraw/zinc/13/68/51/1132136851.db2.gz XCCMZQZCGXPTMV-AWEZNQCLSA-N 1 2 284.435 3.520 20 30 CHEDLO CCCCCCC[C@@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001172351802 1132182935 /nfs/dbraw/zinc/18/29/35/1132182935.db2.gz VOBLIRYGODQRRD-OAHLLOKOSA-N 1 2 266.429 3.788 20 30 CHEDLO C[C@H](CCCC#N)[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172507983 1132253201 /nfs/dbraw/zinc/25/32/01/1132253201.db2.gz AKTWPMXBYZBEHL-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H](CCCC#N)[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001172507983 1132253205 /nfs/dbraw/zinc/25/32/05/1132253205.db2.gz AKTWPMXBYZBEHL-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCC[C@@H]1CCOC1 ZINC000840708685 1132273333 /nfs/dbraw/zinc/27/33/33/1132273333.db2.gz DAGZOMXEXOPEHS-VCRXTVNUSA-N 1 2 283.371 3.781 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCC[C@@H]1CCOC1 ZINC000840708684 1132273413 /nfs/dbraw/zinc/27/34/13/1132273413.db2.gz DAGZOMXEXOPEHS-ONDHQXCVSA-N 1 2 283.371 3.781 20 30 CHEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC2(CCCC2)CC1)C(=O)OCC ZINC001172724194 1132298375 /nfs/dbraw/zinc/29/83/75/1132298375.db2.gz OGPHXMNQBCWVAU-KSSFIOAISA-N 1 2 291.435 3.587 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cccnc1OCC ZINC001231767849 1132356326 /nfs/dbraw/zinc/35/63/26/1132356326.db2.gz GDJBYRGZPCIIEH-UHFFFAOYSA-N 1 2 282.387 3.669 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cccnc1OCC ZINC001231767849 1132356333 /nfs/dbraw/zinc/35/63/33/1132356333.db2.gz GDJBYRGZPCIIEH-UHFFFAOYSA-N 1 2 282.387 3.669 20 30 CHEDLO CCCOC1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001173096066 1132385651 /nfs/dbraw/zinc/38/56/51/1132385651.db2.gz JNXPCBAJGOATEN-UYSNPLJNSA-N 1 2 266.429 3.642 20 30 CHEDLO N#CC1([NH2+]C2CCC(Oc3ccccc3)CC2)CCCC1 ZINC001173196028 1132408874 /nfs/dbraw/zinc/40/88/74/1132408874.db2.gz GWRCDYWFTGPTAW-UHFFFAOYSA-N 1 2 284.403 3.803 20 30 CHEDLO N#C[C@H]1CCCC[N@@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173203246 1132409172 /nfs/dbraw/zinc/40/91/72/1132409172.db2.gz MATAQONLIUQJME-UPTPFMHGSA-N 1 2 284.403 3.755 20 30 CHEDLO N#C[C@H]1CCCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173203246 1132409175 /nfs/dbraw/zinc/40/91/75/1132409175.db2.gz MATAQONLIUQJME-UPTPFMHGSA-N 1 2 284.403 3.755 20 30 CHEDLO Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001232398702 1132465435 /nfs/dbraw/zinc/46/54/35/1132465435.db2.gz CDFWGVZJKIKXQJ-KRWDZBQOSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001232398702 1132465438 /nfs/dbraw/zinc/46/54/38/1132465438.db2.gz CDFWGVZJKIKXQJ-KRWDZBQOSA-N 1 2 272.392 3.518 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CCC2)c1 ZINC001232680739 1132505354 /nfs/dbraw/zinc/50/53/54/1132505354.db2.gz GWGVRYBNNUHXGK-UHFFFAOYSA-N 1 2 292.382 3.819 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CCC2)c1 ZINC001232680739 1132505357 /nfs/dbraw/zinc/50/53/57/1132505357.db2.gz GWGVRYBNNUHXGK-UHFFFAOYSA-N 1 2 292.382 3.819 20 30 CHEDLO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1O ZINC001232676870 1132506367 /nfs/dbraw/zinc/50/63/67/1132506367.db2.gz TYFNGXKUBVPWDX-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1O ZINC001232676870 1132506370 /nfs/dbraw/zinc/50/63/70/1132506370.db2.gz TYFNGXKUBVPWDX-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO CC[N@H+](Cc1cccs1)Cc1c(F)ccc(C#N)c1F ZINC001143174485 1132513863 /nfs/dbraw/zinc/51/38/63/1132513863.db2.gz RNMXAZSTNUZLHG-UHFFFAOYSA-N 1 2 292.354 3.920 20 30 CHEDLO CC[N@@H+](Cc1cccs1)Cc1c(F)ccc(C#N)c1F ZINC001143174485 1132513867 /nfs/dbraw/zinc/51/38/67/1132513867.db2.gz RNMXAZSTNUZLHG-UHFFFAOYSA-N 1 2 292.354 3.920 20 30 CHEDLO COc1cccc([C@H]2CCCC[N@@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233046899 1132564954 /nfs/dbraw/zinc/56/49/54/1132564954.db2.gz LHJOUPJZSOMBMP-GOSISDBHSA-N 1 2 295.386 3.622 20 30 CHEDLO COc1cccc([C@H]2CCCC[N@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233046899 1132564960 /nfs/dbraw/zinc/56/49/60/1132564960.db2.gz LHJOUPJZSOMBMP-GOSISDBHSA-N 1 2 295.386 3.622 20 30 CHEDLO C=CC[N@H+](Cc1cc(Cl)ncc1O)C1CCCCC1 ZINC001233037963 1132565972 /nfs/dbraw/zinc/56/59/72/1132565972.db2.gz LNELKMFREHXRNI-UHFFFAOYSA-N 1 2 280.799 3.761 20 30 CHEDLO C=CC[N@@H+](Cc1cc(Cl)ncc1O)C1CCCCC1 ZINC001233037963 1132565969 /nfs/dbraw/zinc/56/59/69/1132565969.db2.gz LNELKMFREHXRNI-UHFFFAOYSA-N 1 2 280.799 3.761 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233335197 1132603004 /nfs/dbraw/zinc/60/30/04/1132603004.db2.gz LELXWSAMCXEOQC-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233335197 1132603007 /nfs/dbraw/zinc/60/30/07/1132603007.db2.gz LELXWSAMCXEOQC-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO CC(=O)c1ccc(Nc2ccc(C)[nH+]c2C)c(C#N)c1 ZINC001203376616 1132689738 /nfs/dbraw/zinc/68/97/38/1132689738.db2.gz PRLKLJVGOYMTAV-UHFFFAOYSA-N 1 2 265.316 3.516 20 30 CHEDLO CC(C)(Nc1cc(N)cc(Cl)[nH+]1)c1ccc(C#N)cc1 ZINC001156430303 1132696390 /nfs/dbraw/zinc/69/63/90/1132696390.db2.gz VQJLRUJXFVOPKJ-UHFFFAOYSA-N 1 2 286.766 3.536 20 30 CHEDLO Cc1cc(NC(C)(C)c2ccc(C#N)cc2)nc(C2CC2)[nH+]1 ZINC001156433169 1132696706 /nfs/dbraw/zinc/69/67/06/1132696706.db2.gz GWRWUGNFMKRQGI-UHFFFAOYSA-N 1 2 292.386 3.881 20 30 CHEDLO C=CCN(c1cc(CC)[nH+]c(C)n1)C1CCCCC1 ZINC001157850052 1132749326 /nfs/dbraw/zinc/74/93/26/1132749326.db2.gz FFRMFEMKVRPATK-UHFFFAOYSA-N 1 2 259.397 3.673 20 30 CHEDLO CCSc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001159377521 1132835943 /nfs/dbraw/zinc/83/59/43/1132835943.db2.gz UVHRGKWDLDEJPP-UHFFFAOYSA-N 1 2 268.385 3.657 20 30 CHEDLO C[C@H](C#N)c1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174412305 1132850324 /nfs/dbraw/zinc/85/03/24/1132850324.db2.gz QJOFNMPGVINTJF-LLVKDONJSA-N 1 2 262.316 3.885 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174521705 1132912019 /nfs/dbraw/zinc/91/20/19/1132912019.db2.gz CMMJTJWFOAZIHM-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#CCc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523862 1132912410 /nfs/dbraw/zinc/91/24/10/1132912410.db2.gz VYDKHMGEMNLVKJ-UHFFFAOYSA-N 1 2 292.386 3.882 20 30 CHEDLO C[C@@H](C#N)c1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213031442 1132995476 /nfs/dbraw/zinc/99/54/76/1132995476.db2.gz ABBAAAWBNYQZBK-NSHDSACASA-N 1 2 262.316 3.934 20 30 CHEDLO CC1(C)C[C@H](CNc2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001161424927 1132999726 /nfs/dbraw/zinc/99/97/26/1132999726.db2.gz LNYKQCDETDELSQ-CQSZACIVSA-N 1 2 295.386 3.724 20 30 CHEDLO N#C[C@@H](Nc1ccc(F)c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001161724863 1133021769 /nfs/dbraw/zinc/02/17/69/1133021769.db2.gz FYSAXEALVDQMDF-MRXNPFEDSA-N 1 2 292.317 3.688 20 30 CHEDLO Cc1ccc(C)c(CCNc2cc(C3(C#N)CC3)cc[nH+]2)c1 ZINC001161829708 1133033302 /nfs/dbraw/zinc/03/33/02/1133033302.db2.gz BIZJFYPJFGMXPZ-UHFFFAOYSA-N 1 2 291.398 3.908 20 30 CHEDLO C#CCCCNc1cc(-c2ccc(C)cc2)cc[nH+]1 ZINC001162439253 1133077614 /nfs/dbraw/zinc/07/76/14/1133077614.db2.gz PQFJQPUDCQMFOW-UHFFFAOYSA-N 1 2 250.345 3.882 20 30 CHEDLO CCc1cccnc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163679875 1133165640 /nfs/dbraw/zinc/16/56/40/1133165640.db2.gz JHTJVHFCWFGMNY-UHFFFAOYSA-N 1 2 293.292 3.700 20 30 CHEDLO COc1ccc(NC(C)(C)c2ccc(C#N)cc2)[nH+]c1C ZINC001165792193 1133251868 /nfs/dbraw/zinc/25/18/68/1133251868.db2.gz NGBFZEOTBHBLQL-UHFFFAOYSA-N 1 2 281.359 3.618 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2cccc(F)c2C#N)c1 ZINC001166246945 1133262473 /nfs/dbraw/zinc/26/24/73/1133262473.db2.gz PKSAVUJDEVRLBP-UHFFFAOYSA-N 1 2 288.347 3.702 20 30 CHEDLO CC(C)(C)c1ccc(N2CCC[C@@H](CC#N)C2)[nH+]c1 ZINC001166741475 1133284271 /nfs/dbraw/zinc/28/42/71/1133284271.db2.gz DPHCAQFUZPORPU-ZDUSSCGKSA-N 1 2 257.381 3.509 20 30 CHEDLO COc1ccc2[nH+]c(N3CCC[C@H](CC#N)C3)cc(C)c2c1 ZINC001166742094 1133284551 /nfs/dbraw/zinc/28/45/51/1133284551.db2.gz AQFPDRRDSUROKX-CQSZACIVSA-N 1 2 295.386 3.682 20 30 CHEDLO Cc1nc(N2CCC[C@H](CC#N)C2)cc(C2CCCCC2)[nH+]1 ZINC001166741642 1133285114 /nfs/dbraw/zinc/28/51/14/1133285114.db2.gz PMPGGKAECCIWCB-OAHLLOKOSA-N 1 2 298.434 3.963 20 30 CHEDLO Cc1ccc(Nc2nc(Cl)cc(C)c2C#N)c(C)[nH+]1 ZINC001203370308 1133320289 /nfs/dbraw/zinc/32/02/89/1133320289.db2.gz ZLZDQGWHGDKUNX-UHFFFAOYSA-N 1 2 272.739 3.671 20 30 CHEDLO CSc1cc(Nc2cc(F)c(C#N)c(F)c2)cc[nH+]1 ZINC001203674901 1133352702 /nfs/dbraw/zinc/35/27/02/1133352702.db2.gz WRYPZZKUODRBSO-UHFFFAOYSA-N 1 2 277.299 3.697 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711116 1133478632 /nfs/dbraw/zinc/47/86/32/1133478632.db2.gz SQRNISIIVVFFQE-LBPRGKRZSA-N 1 2 286.762 3.945 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001204711116 1133478634 /nfs/dbraw/zinc/47/86/34/1133478634.db2.gz SQRNISIIVVFFQE-LBPRGKRZSA-N 1 2 286.762 3.945 20 30 CHEDLO C#CCCCCCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001205089908 1133527435 /nfs/dbraw/zinc/52/74/35/1133527435.db2.gz YCXJRTMZROUFLX-UHFFFAOYSA-N 1 2 298.474 3.696 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC001205882200 1133626792 /nfs/dbraw/zinc/62/67/92/1133626792.db2.gz JWXRFHIKSUQKIW-UHFFFAOYSA-N 1 2 272.150 3.730 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC001205882200 1133626793 /nfs/dbraw/zinc/62/67/93/1133626793.db2.gz JWXRFHIKSUQKIW-UHFFFAOYSA-N 1 2 272.150 3.730 20 30 CHEDLO CCCC[N@H+](CC#N)CC1CCN(c2ccccc2)CC1 ZINC001208910942 1133962004 /nfs/dbraw/zinc/96/20/04/1133962004.db2.gz BAYCDNJGTARMEW-UHFFFAOYSA-N 1 2 285.435 3.529 20 30 CHEDLO CCCC[N@@H+](CC#N)CC1CCN(c2ccccc2)CC1 ZINC001208910942 1133962011 /nfs/dbraw/zinc/96/20/11/1133962011.db2.gz BAYCDNJGTARMEW-UHFFFAOYSA-N 1 2 285.435 3.529 20 30 CHEDLO C=CCCCCCN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001209427194 1134016809 /nfs/dbraw/zinc/01/68/09/1134016809.db2.gz JDYZKNRLDLPZIC-UHFFFAOYSA-N 1 2 284.447 3.693 20 30 CHEDLO C=CCCCCCN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001209427194 1134016815 /nfs/dbraw/zinc/01/68/15/1134016815.db2.gz JDYZKNRLDLPZIC-UHFFFAOYSA-N 1 2 284.447 3.693 20 30 CHEDLO N#CCC[N@H+](Cc1cncs1)C1CCCCCCC1 ZINC001209549501 1134036361 /nfs/dbraw/zinc/03/63/61/1134036361.db2.gz WZIVXWWZQPBSHB-UHFFFAOYSA-N 1 2 277.437 3.972 20 30 CHEDLO N#CCC[N@@H+](Cc1cncs1)C1CCCCCCC1 ZINC001209549501 1134036365 /nfs/dbraw/zinc/03/63/65/1134036365.db2.gz WZIVXWWZQPBSHB-UHFFFAOYSA-N 1 2 277.437 3.972 20 30 CHEDLO N#Cc1cc(Nc2cccc3cc[nH+]cc32)c(O)cc1F ZINC001210230949 1134174127 /nfs/dbraw/zinc/17/41/27/1134174127.db2.gz KUXJYISQNJIFQT-UHFFFAOYSA-N 1 2 279.274 3.695 20 30 CHEDLO N#Cc1cc(Nc2cccc3cc[nH+]cc32)ccc1O ZINC001210232944 1134175125 /nfs/dbraw/zinc/17/51/25/1134175125.db2.gz ZIDMJCMCAPKCKC-UHFFFAOYSA-N 1 2 261.284 3.556 20 30 CHEDLO C#Cc1cc(NC=Cc2ccccc2C(F)(F)F)cc[nH+]1 ZINC001210428127 1134212548 /nfs/dbraw/zinc/21/25/48/1134212548.db2.gz XTWQZQLRMMTVGJ-VQHVLOKHSA-N 1 2 288.272 3.586 20 30 CHEDLO COc1cc(Nc2cc(Cl)cc(C#N)c2)cc(C)[nH+]1 ZINC001210537276 1134241831 /nfs/dbraw/zinc/24/18/31/1134241831.db2.gz UQJLIPKBHBIQFH-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO Cn1c[nH+]c2cc(Nc3cc(Cl)cc(C#N)c3)ccc21 ZINC001210539170 1134242684 /nfs/dbraw/zinc/24/26/84/1134242684.db2.gz RDFBDUBUEWLAOG-UHFFFAOYSA-N 1 2 282.734 3.842 20 30 CHEDLO N#Cc1ccc(F)c(F)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091788 1134425668 /nfs/dbraw/zinc/42/56/68/1134425668.db2.gz LERKARVCBIEDIA-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C#N)s1 ZINC001213497567 1134455669 /nfs/dbraw/zinc/45/56/69/1134455669.db2.gz VQYXZTHOVIGKKR-UHFFFAOYSA-N 1 2 255.346 3.944 20 30 CHEDLO CCN(C)c1ccc(Nc2cccc(C3(C#N)CC3)c2)c[nH+]1 ZINC001213318085 1134441120 /nfs/dbraw/zinc/44/11/20/1134441120.db2.gz JTIOWWLOIFQNMH-UHFFFAOYSA-N 1 2 292.386 3.836 20 30 CHEDLO COc1ccc(Nc2cc(C3CC3)c[nH+]c2C)c(C#N)c1 ZINC001213499145 1134454907 /nfs/dbraw/zinc/45/49/07/1134454907.db2.gz DTVPTPWBYOUHHM-UHFFFAOYSA-N 1 2 279.343 3.891 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cc(Cl)cnc1C#N ZINC001213497561 1134455586 /nfs/dbraw/zinc/45/55/86/1134455586.db2.gz VMRYYZUHLVUZBL-UHFFFAOYSA-N 1 2 284.750 3.931 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1-n1cc(C#N)c2ccc(N)cc21 ZINC001213501289 1134456174 /nfs/dbraw/zinc/45/61/74/1134456174.db2.gz RADSKEZULZMFKJ-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO Cc1c[nH+]cc(Nc2ccc(N3CCCC3)c(C#N)c2)c1C ZINC001213532789 1134461500 /nfs/dbraw/zinc/46/15/00/1134461500.db2.gz VIZUNJAJVXMQIV-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)cc2Cl)c1 ZINC000404496431 1134945688 /nfs/dbraw/zinc/94/56/88/1134945688.db2.gz VLYPSALAKMBDAQ-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cc(CO[C@@H](C)CC(C)(C)S)cc(C)[nH+]1 ZINC001223424292 1135343113 /nfs/dbraw/zinc/34/31/13/1135343113.db2.gz IZIOWNANBNKPLV-LBPRGKRZSA-N 1 2 253.411 3.702 20 30 CHEDLO Cc1cc(CO[C@@H](C)c2ccccc2C#N)cc(C)[nH+]1 ZINC001223426104 1135344683 /nfs/dbraw/zinc/34/46/83/1135344683.db2.gz YOWUMTUOQILSBH-AWEZNQCLSA-N 1 2 266.344 3.848 20 30 CHEDLO CC(C)[NH+]1CC(O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224086901 1135417090 /nfs/dbraw/zinc/41/70/90/1135417090.db2.gz HJYXXEZTLNOHTH-FMQUCBEESA-N 1 2 294.398 3.874 20 30 CHEDLO C=C[C@@]1(C)CC[C@H](Oc2c(C)cc[nH+]c2C)C(C)(C)O1 ZINC001227265678 1135812084 /nfs/dbraw/zinc/81/20/84/1135812084.db2.gz VTQNDTZSYMZWTR-YOEHRIQHSA-N 1 2 275.392 3.980 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1F ZINC000344365146 529986593 /nfs/dbraw/zinc/98/65/93/529986593.db2.gz MDVGUSFNPRJWGD-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1F ZINC000344365146 529986595 /nfs/dbraw/zinc/98/65/95/529986595.db2.gz MDVGUSFNPRJWGD-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO Cc1cccc(CCNc2cccc(C(F)F)c2C#N)[nH+]1 ZINC000573741853 334962922 /nfs/dbraw/zinc/96/29/22/334962922.db2.gz OBGIVMOAINUKGU-UHFFFAOYSA-N 1 2 287.313 3.854 20 30 CHEDLO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H](c2ccco2)C1 ZINC000336011905 533642250 /nfs/dbraw/zinc/64/22/50/533642250.db2.gz OTNXNJNFMWDNCO-WCQYABFASA-N 1 2 287.388 3.581 20 30 CHEDLO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H](c2ccco2)C1 ZINC000336011905 533642259 /nfs/dbraw/zinc/64/22/59/533642259.db2.gz OTNXNJNFMWDNCO-WCQYABFASA-N 1 2 287.388 3.581 20 30 CHEDLO Cc1cc(N2CCCC2)ccc1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000334770012 225314743 /nfs/dbraw/zinc/31/47/43/225314743.db2.gz BBKOCXFUSWPKQU-CABCVRRESA-N 1 2 269.392 3.699 20 30 CHEDLO C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CCCc2ccccc21 ZINC000330024833 228019328 /nfs/dbraw/zinc/01/93/28/228019328.db2.gz KDAQIZOYVLPVNP-KRWDZBQOSA-N 1 2 283.375 3.551 20 30 CHEDLO C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CCCc2ccccc21 ZINC000330024833 228019329 /nfs/dbraw/zinc/01/93/29/228019329.db2.gz KDAQIZOYVLPVNP-KRWDZBQOSA-N 1 2 283.375 3.551 20 30 CHEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356120490 228128931 /nfs/dbraw/zinc/12/89/31/228128931.db2.gz DMMCEQQWBLWFIZ-CYBMUJFWSA-N 1 2 286.272 3.511 20 30 CHEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356120490 228128933 /nfs/dbraw/zinc/12/89/33/228128933.db2.gz DMMCEQQWBLWFIZ-CYBMUJFWSA-N 1 2 286.272 3.511 20 30 CHEDLO C=C(C)CN(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000180437360 260101830 /nfs/dbraw/zinc/10/18/30/260101830.db2.gz VRJRKVYLEQTCAP-UHFFFAOYSA-N 1 2 296.370 3.830 20 30 CHEDLO N#CC[N@H+](Cc1ccc2ncccc2c1)C1CCCC1 ZINC000080215765 260178928 /nfs/dbraw/zinc/17/89/28/260178928.db2.gz VOXNCGICFUQOGF-UHFFFAOYSA-N 1 2 265.360 3.503 20 30 CHEDLO N#CC[N@@H+](Cc1ccc2ncccc2c1)C1CCCC1 ZINC000080215765 260178930 /nfs/dbraw/zinc/17/89/30/260178930.db2.gz VOXNCGICFUQOGF-UHFFFAOYSA-N 1 2 265.360 3.503 20 30 CHEDLO N#Cc1cccc(Nc2ccc([NH+]3CCCCC3)cc2)n1 ZINC000081619566 260183897 /nfs/dbraw/zinc/18/38/97/260183897.db2.gz AXXVFTIYFPUROW-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cccc1Cl ZINC000054182591 260216931 /nfs/dbraw/zinc/21/69/31/260216931.db2.gz LWGPCTYVYCYVFC-SECBINFHSA-N 1 2 257.164 3.775 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Cl)s1)CC1CC1 ZINC000081043303 260329739 /nfs/dbraw/zinc/32/97/39/260329739.db2.gz GDLFBYYFKSSBPS-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(Cl)s1)CC1CC1 ZINC000081043303 260329737 /nfs/dbraw/zinc/32/97/37/260329737.db2.gz GDLFBYYFKSSBPS-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO COCCOc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185729714 262068874 /nfs/dbraw/zinc/06/88/74/262068874.db2.gz WZBQAHUZKKOSOS-CABCVRRESA-N 1 2 288.391 3.515 20 30 CHEDLO C=C(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000187769456 262143554 /nfs/dbraw/zinc/14/35/54/262143554.db2.gz ZUOUTHKKPHWCQN-MLGOLLRUSA-N 1 2 289.329 3.615 20 30 CHEDLO N#CCC[N@H+](Cc1sccc1Cl)CC1CC1 ZINC000194379912 262236804 /nfs/dbraw/zinc/23/68/04/262236804.db2.gz XCRMAQDUPRRZCI-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO N#CCC[N@@H+](Cc1sccc1Cl)CC1CC1 ZINC000194379912 262236802 /nfs/dbraw/zinc/23/68/02/262236802.db2.gz XCRMAQDUPRRZCI-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000227354422 262389134 /nfs/dbraw/zinc/38/91/34/262389134.db2.gz XYOBDMHINFZSEE-UHFFFAOYSA-N 1 2 299.237 3.636 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000227521216 262391611 /nfs/dbraw/zinc/39/16/11/262391611.db2.gz SQNWPJAIBMDQDG-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO CCc1ccccc1CC[N@H+](CCC#N)Cc1ccccn1 ZINC000277597651 263042413 /nfs/dbraw/zinc/04/24/13/263042413.db2.gz DYZYXPZRNMFVOR-UHFFFAOYSA-N 1 2 293.414 3.602 20 30 CHEDLO CCc1ccccc1CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000277597651 263042414 /nfs/dbraw/zinc/04/24/14/263042414.db2.gz DYZYXPZRNMFVOR-UHFFFAOYSA-N 1 2 293.414 3.602 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000277723512 263043107 /nfs/dbraw/zinc/04/31/07/263043107.db2.gz NMWGZDKWEKLDTM-UHFFFAOYSA-N 1 2 299.340 3.862 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000277723512 263043108 /nfs/dbraw/zinc/04/31/08/263043108.db2.gz NMWGZDKWEKLDTM-UHFFFAOYSA-N 1 2 299.340 3.862 20 30 CHEDLO Cc1cc(C)cc([N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000282117038 263074482 /nfs/dbraw/zinc/07/44/82/263074482.db2.gz XLDQQBIYLWJVQF-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO Cc1cc(C)cc([N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000282117038 263074483 /nfs/dbraw/zinc/07/44/83/263074483.db2.gz XLDQQBIYLWJVQF-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974643 263153580 /nfs/dbraw/zinc/15/35/80/263153580.db2.gz DGODYJSBMBKQFC-IUODEOHRSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)C1 ZINC000293974643 263153581 /nfs/dbraw/zinc/15/35/81/263153581.db2.gz DGODYJSBMBKQFC-IUODEOHRSA-N 1 2 299.805 3.803 20 30 CHEDLO C[C@@H](c1ccc(C[N@H+](C)CCC#N)cc1)C(F)(F)F ZINC000294903402 263169060 /nfs/dbraw/zinc/16/90/60/263169060.db2.gz HGUAHFHHITZSJK-NSHDSACASA-N 1 2 270.298 3.698 20 30 CHEDLO C[C@@H](c1ccc(C[N@@H+](C)CCC#N)cc1)C(F)(F)F ZINC000294903402 263169061 /nfs/dbraw/zinc/16/90/61/263169061.db2.gz HGUAHFHHITZSJK-NSHDSACASA-N 1 2 270.298 3.698 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000298365553 263218756 /nfs/dbraw/zinc/21/87/56/263218756.db2.gz NINSIHWBVLNBRF-JTQLQIEISA-N 1 2 266.747 3.529 20 30 CHEDLO C[C@@H](CCC#N)[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000298365553 263218757 /nfs/dbraw/zinc/21/87/57/263218757.db2.gz NINSIHWBVLNBRF-JTQLQIEISA-N 1 2 266.747 3.529 20 30 CHEDLO C[C@H](CC#N)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000187526752 263260077 /nfs/dbraw/zinc/26/00/77/263260077.db2.gz UOISECMVZGPXIU-RKDXNWHRSA-N 1 2 257.164 3.946 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Cl)s1 ZINC000425365328 264210917 /nfs/dbraw/zinc/21/09/17/264210917.db2.gz KIBKVFJBSUSGAR-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000425365328 264210918 /nfs/dbraw/zinc/21/09/18/264210918.db2.gz KIBKVFJBSUSGAR-SNVBAGLBSA-N 1 2 291.807 3.861 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1noc(C(C)C)n1)c1ccccc1 ZINC000180041990 264394681 /nfs/dbraw/zinc/39/46/81/264394681.db2.gz PRUHLMWJOAGSPS-OAHLLOKOSA-N 1 2 285.391 3.990 20 30 CHEDLO Cc1ccccc1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356214987 266073914 /nfs/dbraw/zinc/07/39/14/266073914.db2.gz JGTNFKFKRHNZCS-UHFFFAOYSA-N 1 2 297.427 3.703 20 30 CHEDLO CC(C)c1cccc2c1CC[N@H+](Cc1nc(C#N)cs1)C2 ZINC000356397295 266107322 /nfs/dbraw/zinc/10/73/22/266107322.db2.gz PWYIJJHAECGZGL-UHFFFAOYSA-N 1 2 297.427 3.696 20 30 CHEDLO CC(C)c1cccc2c1CC[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000356397295 266107326 /nfs/dbraw/zinc/10/73/26/266107326.db2.gz PWYIJJHAECGZGL-UHFFFAOYSA-N 1 2 297.427 3.696 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000356435221 266112982 /nfs/dbraw/zinc/11/29/82/266112982.db2.gz IRAIVOCFHQUBMZ-QWGSZXSUSA-N 1 2 295.411 3.693 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000356435221 266112984 /nfs/dbraw/zinc/11/29/84/266112984.db2.gz IRAIVOCFHQUBMZ-QWGSZXSUSA-N 1 2 295.411 3.693 20 30 CHEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC000356473477 266120361 /nfs/dbraw/zinc/12/03/61/266120361.db2.gz KEUDSVVOFHVUET-WDEREUQCSA-N 1 2 252.308 3.507 20 30 CHEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC000356473477 266120364 /nfs/dbraw/zinc/12/03/64/266120364.db2.gz KEUDSVVOFHVUET-WDEREUQCSA-N 1 2 252.308 3.507 20 30 CHEDLO N#Cc1cc(F)c(CNc2c[nH+]c3c(c2)CCCC3)c(F)c1 ZINC000362629187 267026343 /nfs/dbraw/zinc/02/63/43/267026343.db2.gz YOCGMQMDYCXELU-UHFFFAOYSA-N 1 2 299.324 3.722 20 30 CHEDLO N#Cc1cccc(CNc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000123266247 268020460 /nfs/dbraw/zinc/02/04/60/268020460.db2.gz SILNDHMSGVFELN-UHFFFAOYSA-N 1 2 292.386 3.556 20 30 CHEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)cs1 ZINC000296072222 328288766 /nfs/dbraw/zinc/28/87/66/328288766.db2.gz SCWMEOMNAIWTIN-UHFFFAOYSA-N 1 2 287.388 3.746 20 30 CHEDLO CCCCCN(C)c1ccc(F)cc1C[NH2+]C[C@@H](C)C#N ZINC000558449428 327095386 /nfs/dbraw/zinc/09/53/86/327095386.db2.gz APPTUUPKPOYGHS-AWEZNQCLSA-N 1 2 291.414 3.701 20 30 CHEDLO Cc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000560027537 327278327 /nfs/dbraw/zinc/27/83/27/327278327.db2.gz ZZHBZDIPTGDVKH-MOPGFXCFSA-N 1 2 298.430 3.731 20 30 CHEDLO Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000560027537 327278329 /nfs/dbraw/zinc/27/83/29/327278329.db2.gz ZZHBZDIPTGDVKH-MOPGFXCFSA-N 1 2 298.430 3.731 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000560569785 327324975 /nfs/dbraw/zinc/32/49/75/327324975.db2.gz KDYXEODRHUXAMQ-UHFFFAOYSA-N 1 2 288.288 3.826 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000560569785 327324976 /nfs/dbraw/zinc/32/49/76/327324976.db2.gz KDYXEODRHUXAMQ-UHFFFAOYSA-N 1 2 288.288 3.826 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(OC)ccc1Br ZINC000535783459 328632146 /nfs/dbraw/zinc/63/21/46/328632146.db2.gz ZBSCZANDEXLTPC-UHFFFAOYSA-N 1 2 296.208 3.632 20 30 CHEDLO C=CC[N@@H+](Cc1ccn(C(C)C)n1)Cc1ccccc1 ZINC000172011765 329082946 /nfs/dbraw/zinc/08/29/46/329082946.db2.gz OCAVCQPDHNMBFQ-UHFFFAOYSA-N 1 2 269.392 3.652 20 30 CHEDLO C=CC[N@H+](Cc1ccn(C(C)C)n1)Cc1ccccc1 ZINC000172011765 329082947 /nfs/dbraw/zinc/08/29/47/329082947.db2.gz OCAVCQPDHNMBFQ-UHFFFAOYSA-N 1 2 269.392 3.652 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000184095523 329256217 /nfs/dbraw/zinc/25/62/17/329256217.db2.gz KWVLUGRTMPQBOK-MRXNPFEDSA-N 1 2 283.350 3.670 20 30 CHEDLO Cc1cc(N2CC(Cc3ccccc3Cl)C2)c(C#N)c[nH+]1 ZINC000425241702 329647114 /nfs/dbraw/zinc/64/71/14/329647114.db2.gz QQHSQDOOVQRFIQ-UHFFFAOYSA-N 1 2 297.789 3.594 20 30 CHEDLO C=C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000264523163 330061790 /nfs/dbraw/zinc/06/17/90/330061790.db2.gz IGTNIVGOKHQJOF-UHFFFAOYSA-N 1 2 260.362 3.555 20 30 CHEDLO C=CCCCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271095930 330077659 /nfs/dbraw/zinc/07/76/59/330077659.db2.gz ZBXAJUTZKXVGEO-UHFFFAOYSA-N 1 2 279.387 3.980 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cc(C)no1)c1ccc(F)c(F)c1 ZINC000274920786 330108546 /nfs/dbraw/zinc/10/85/46/330108546.db2.gz YZMPUXWFPHYOMA-HNNXBMFYSA-N 1 2 278.302 3.668 20 30 CHEDLO N#CC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000057872542 330379268 /nfs/dbraw/zinc/37/92/68/330379268.db2.gz OKFRWOZQTCISFW-UHFFFAOYSA-N 1 2 289.429 3.607 20 30 CHEDLO CC[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H](C)C#N ZINC000120519115 330389226 /nfs/dbraw/zinc/38/92/26/330389226.db2.gz IVJUUAOGFSKPFS-LLVKDONJSA-N 1 2 286.297 3.567 20 30 CHEDLO CC[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H](C)C#N ZINC000120519115 330389227 /nfs/dbraw/zinc/38/92/27/330389227.db2.gz IVJUUAOGFSKPFS-LLVKDONJSA-N 1 2 286.297 3.567 20 30 CHEDLO Cc1nc2[nH]ccc2c(N[C@H](CCC#N)c2ccccc2)[nH+]1 ZINC000439097622 330733841 /nfs/dbraw/zinc/73/38/41/330733841.db2.gz JHKWHJLRZNQBMA-OAHLLOKOSA-N 1 2 291.358 3.723 20 30 CHEDLO C=CCC1(C(=O)Nc2c[nH+]ccc2OC)CCCCC1 ZINC000448833373 330885357 /nfs/dbraw/zinc/88/53/57/330885357.db2.gz CNUZAPBCNWZMFO-UHFFFAOYSA-N 1 2 274.364 3.555 20 30 CHEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(C)(F)F ZINC000449415234 330923911 /nfs/dbraw/zinc/92/39/11/330923911.db2.gz ODOKJKJYXLQLRV-GFCCVEGCSA-N 1 2 282.334 3.502 20 30 CHEDLO N#Cc1ccnc(Nc2ccc([NH2+]CC3CCCC3)cc2)n1 ZINC000450306499 330971827 /nfs/dbraw/zinc/97/18/27/330971827.db2.gz ZGJLSFROWUOPHF-UHFFFAOYSA-N 1 2 293.374 3.694 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1cccc(O)c1Br ZINC000459302151 331275398 /nfs/dbraw/zinc/27/53/98/331275398.db2.gz RXKSDJJPMJYJFC-UHFFFAOYSA-N 1 2 284.197 3.553 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1cccc(O)c1Br ZINC000459302151 331275399 /nfs/dbraw/zinc/27/53/99/331275399.db2.gz RXKSDJJPMJYJFC-UHFFFAOYSA-N 1 2 284.197 3.553 20 30 CHEDLO CC(C)(CC#N)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000459660083 331292798 /nfs/dbraw/zinc/29/27/98/331292798.db2.gz ASPACPAGXGHGKR-CQSZACIVSA-N 1 2 280.362 3.782 20 30 CHEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462322908 331319580 /nfs/dbraw/zinc/31/95/80/331319580.db2.gz RRRZGVDODNTRAX-HNNXBMFYSA-N 1 2 298.213 3.780 20 30 CHEDLO CC#CCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462322908 331319581 /nfs/dbraw/zinc/31/95/81/331319581.db2.gz RRRZGVDODNTRAX-HNNXBMFYSA-N 1 2 298.213 3.780 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000462922621 331335225 /nfs/dbraw/zinc/33/52/25/331335225.db2.gz ALAQYWHIROXKDE-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000489399262 332049932 /nfs/dbraw/zinc/04/99/32/332049932.db2.gz GLTMIIHNVZAGTH-NSHDSACASA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000489399262 332049933 /nfs/dbraw/zinc/04/99/33/332049933.db2.gz GLTMIIHNVZAGTH-NSHDSACASA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000489437363 332052182 /nfs/dbraw/zinc/05/21/82/332052182.db2.gz OFPWDCGQIVCEQH-OAHLLOKOSA-N 1 2 260.768 3.752 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000489437363 332052183 /nfs/dbraw/zinc/05/21/83/332052183.db2.gz OFPWDCGQIVCEQH-OAHLLOKOSA-N 1 2 260.768 3.752 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CCC1 ZINC000575802846 335116899 /nfs/dbraw/zinc/11/68/99/335116899.db2.gz XKYQNFNKVHFLTO-UHFFFAOYSA-N 1 2 281.359 3.762 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCCc2occc2C1 ZINC000564156566 333125936 /nfs/dbraw/zinc/12/59/36/333125936.db2.gz LUYWPCHMWQFSPL-UHFFFAOYSA-N 1 2 285.774 3.733 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCCc2occc2C1 ZINC000564156566 333125937 /nfs/dbraw/zinc/12/59/37/333125937.db2.gz LUYWPCHMWQFSPL-UHFFFAOYSA-N 1 2 285.774 3.733 20 30 CHEDLO Cc1nsc(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000575861430 335124844 /nfs/dbraw/zinc/12/48/44/335124844.db2.gz JXZSGDLCIGXOPA-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO Cc1nsc(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000575861430 335124845 /nfs/dbraw/zinc/12/48/45/335124845.db2.gz JXZSGDLCIGXOPA-UHFFFAOYSA-N 1 2 265.426 3.522 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(C#N)c1F ZINC000223517722 333208694 /nfs/dbraw/zinc/20/86/94/333208694.db2.gz GCQNXSSJXXUMMU-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223517722 333208695 /nfs/dbraw/zinc/20/86/95/333208695.db2.gz GCQNXSSJXXUMMU-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC#Cc1ccccc1 ZINC000191986091 333227932 /nfs/dbraw/zinc/22/79/32/333227932.db2.gz GLEHDEXEFVBOPM-XLIONFOSSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC#Cc1ccccc1 ZINC000191986091 333227933 /nfs/dbraw/zinc/22/79/33/333227933.db2.gz GLEHDEXEFVBOPM-XLIONFOSSA-N 1 2 291.394 3.500 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)c(F)c2)c1 ZINC000546634885 334042571 /nfs/dbraw/zinc/04/25/71/334042571.db2.gz HCBDWQVIPAFETN-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000547285601 334076045 /nfs/dbraw/zinc/07/60/45/334076045.db2.gz UJFLYFWJMQRXMP-ZDUSSCGKSA-N 1 2 277.437 3.973 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccccc2C(F)(F)F)c1 ZINC000547340423 334081340 /nfs/dbraw/zinc/08/13/40/334081340.db2.gz MMDZECABEPTGKA-UHFFFAOYSA-N 1 2 291.276 3.779 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cccc(Cl)c2F)c1 ZINC000547340999 334081419 /nfs/dbraw/zinc/08/14/19/334081419.db2.gz WOLVUAJEFLFTBN-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000248843405 334319455 /nfs/dbraw/zinc/31/94/55/334319455.db2.gz MIDVOEUWDFTCCI-XLIONFOSSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000248843405 334319457 /nfs/dbraw/zinc/31/94/57/334319457.db2.gz MIDVOEUWDFTCCI-XLIONFOSSA-N 1 2 291.394 3.500 20 30 CHEDLO C=CCNC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000153447962 334604445 /nfs/dbraw/zinc/60/44/45/334604445.db2.gz UIMROHMBLUKFJF-UHFFFAOYSA-N 1 2 298.390 3.658 20 30 CHEDLO C=CC[C@H](CC)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000344553487 335255534 /nfs/dbraw/zinc/25/55/34/335255534.db2.gz OVKIQDPVSVUQPZ-ZDUSSCGKSA-N 1 2 293.374 3.582 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000577014966 335282101 /nfs/dbraw/zinc/28/21/01/335282101.db2.gz ZEYISGYYQFGLNV-UHFFFAOYSA-N 1 2 290.794 3.522 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)c(C)c1 ZINC000580617048 335302275 /nfs/dbraw/zinc/30/22/75/335302275.db2.gz PQZSGNKCYDECFY-INIZCTEOSA-N 1 2 256.393 3.818 20 30 CHEDLO Cc1ccc(C[N@H+]2CCCC(C)(C)[C@@H]2C#N)c(C)c1 ZINC000580617048 335302276 /nfs/dbraw/zinc/30/22/76/335302276.db2.gz PQZSGNKCYDECFY-INIZCTEOSA-N 1 2 256.393 3.818 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCCC(C)(C)[C@H]2C#N)c(C)c1 ZINC000580617049 335302434 /nfs/dbraw/zinc/30/24/34/335302434.db2.gz PQZSGNKCYDECFY-MRXNPFEDSA-N 1 2 256.393 3.818 20 30 CHEDLO Cc1ccc(C[N@H+]2CCCC(C)(C)[C@H]2C#N)c(C)c1 ZINC000580617049 335302435 /nfs/dbraw/zinc/30/24/35/335302435.db2.gz PQZSGNKCYDECFY-MRXNPFEDSA-N 1 2 256.393 3.818 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000577511650 335362881 /nfs/dbraw/zinc/36/28/81/335362881.db2.gz UGZKWXZCLKIBKY-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000577511650 335362882 /nfs/dbraw/zinc/36/28/82/335362882.db2.gz UGZKWXZCLKIBKY-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1cc(F)ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179700245 335509029 /nfs/dbraw/zinc/50/90/29/335509029.db2.gz DLQZMCUDSHZGLX-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ncc(-c2ccccc2)o1 ZINC000332169892 534000483 /nfs/dbraw/zinc/00/04/83/534000483.db2.gz KRKANGQBFZNEBX-QEJZJMRPSA-N 1 2 281.359 3.684 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000537156880 517328172 /nfs/dbraw/zinc/32/81/72/517328172.db2.gz DBJBFJIWHFGZIU-OAHLLOKOSA-N 1 2 283.375 3.744 20 30 CHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@H]1c1cccnc1 ZINC000292762750 520476469 /nfs/dbraw/zinc/47/64/69/520476469.db2.gz JPKJAMNMSIZYRI-KRWDZBQOSA-N 1 2 295.361 3.675 20 30 CHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1c1cccnc1 ZINC000292762750 520476478 /nfs/dbraw/zinc/47/64/78/520476478.db2.gz JPKJAMNMSIZYRI-KRWDZBQOSA-N 1 2 295.361 3.675 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2cc(C)ccn12 ZINC000353424227 528750084 /nfs/dbraw/zinc/75/00/84/528750084.db2.gz SNAHABOMBAPFJK-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2cc(C)ccn12 ZINC000353424227 528750087 /nfs/dbraw/zinc/75/00/87/528750087.db2.gz SNAHABOMBAPFJK-UHFFFAOYSA-N 1 2 298.434 3.795 20 30 CHEDLO CC1(C#N)CCC(Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000335269416 528832983 /nfs/dbraw/zinc/83/29/83/528832983.db2.gz WBOYHPKBFYHOAV-UHFFFAOYSA-N 1 2 298.365 3.896 20 30 CHEDLO CCCCCCCC[C@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001173308855 1132449472 /nfs/dbraw/zinc/44/94/72/1132449472.db2.gz CYKPQBCYAPSJDJ-DLBZAZTESA-N 1 2 279.472 3.703 20 30 CHEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000120559728 1125547654 /nfs/dbraw/zinc/54/76/54/1125547654.db2.gz PLBLGESCNXJDGG-UHFFFAOYSA-N 1 2 285.416 3.734 20 30 CHEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000120559728 1125547660 /nfs/dbraw/zinc/54/76/60/1125547660.db2.gz PLBLGESCNXJDGG-UHFFFAOYSA-N 1 2 285.416 3.734 20 30 CHEDLO CCCCCCCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000139709552 1125731593 /nfs/dbraw/zinc/73/15/93/1125731593.db2.gz VMIAVZYTJVSHDT-UHFFFAOYSA-N 1 2 292.423 3.684 20 30 CHEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1nccs1 ZINC000090665218 1125744557 /nfs/dbraw/zinc/74/45/57/1125744557.db2.gz GVPFTCHOEOMFSW-OCCSQVGLSA-N 1 2 271.389 3.839 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000093091177 1125764819 /nfs/dbraw/zinc/76/48/19/1125764819.db2.gz DLCZZOFZOWLDKL-VIFPVBQESA-N 1 2 288.725 3.675 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000093091177 1125764825 /nfs/dbraw/zinc/76/48/25/1125764825.db2.gz DLCZZOFZOWLDKL-VIFPVBQESA-N 1 2 288.725 3.675 20 30 CHEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)o2)cc1 ZINC000093458855 1125768401 /nfs/dbraw/zinc/76/84/01/1125768401.db2.gz IGDGORJHLVGDHZ-KRWDZBQOSA-N 1 2 298.411 3.750 20 30 CHEDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000093458855 1125768409 /nfs/dbraw/zinc/76/84/09/1125768409.db2.gz IGDGORJHLVGDHZ-KRWDZBQOSA-N 1 2 298.411 3.750 20 30 CHEDLO C[N@H+](Cc1nccs1)Cc1ccccc1C(C)(C)C#N ZINC000135268104 1126715401 /nfs/dbraw/zinc/71/54/01/1126715401.db2.gz XAOATIQQEVXWDR-UHFFFAOYSA-N 1 2 285.416 3.576 20 30 CHEDLO C[N@@H+](Cc1nccs1)Cc1ccccc1C(C)(C)C#N ZINC000135268104 1126715403 /nfs/dbraw/zinc/71/54/03/1126715403.db2.gz XAOATIQQEVXWDR-UHFFFAOYSA-N 1 2 285.416 3.576 20 30 CHEDLO CC[N@@H+](Cc1cc2c(cc(C)cc2C)[nH]1)C[C@H](C)C#N ZINC000481890026 1126733015 /nfs/dbraw/zinc/73/30/15/1126733015.db2.gz FXXJCBLORXHFHZ-CYBMUJFWSA-N 1 2 269.392 3.766 20 30 CHEDLO CC[N@H+](Cc1cc2c(cc(C)cc2C)[nH]1)C[C@H](C)C#N ZINC000481890026 1126733019 /nfs/dbraw/zinc/73/30/19/1126733019.db2.gz FXXJCBLORXHFHZ-CYBMUJFWSA-N 1 2 269.392 3.766 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCCC(F)(F)C1 ZINC000338311519 1126733704 /nfs/dbraw/zinc/73/37/04/1126733704.db2.gz DSHKUGNVEKFFAW-CQSZACIVSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCCC(F)(F)C1 ZINC000338311519 1126733707 /nfs/dbraw/zinc/73/37/07/1126733707.db2.gz DSHKUGNVEKFFAW-CQSZACIVSA-N 1 2 293.361 3.623 20 30 CHEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000159846366 1126754454 /nfs/dbraw/zinc/75/44/54/1126754454.db2.gz LJONLMQQFLNYSE-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000159846366 1126754457 /nfs/dbraw/zinc/75/44/57/1126754457.db2.gz LJONLMQQFLNYSE-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO C[C@H]1CCC[C@@H](C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360289 1126827532 /nfs/dbraw/zinc/82/75/32/1126827532.db2.gz IGUBHGRGDVNPPZ-JKSUJKDBSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@H]1CCC[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000179360289 1126827534 /nfs/dbraw/zinc/82/75/34/1126827534.db2.gz IGUBHGRGDVNPPZ-JKSUJKDBSA-N 1 2 271.408 3.624 20 30 CHEDLO C=CCCCCCO[NH+]=C(N)Cc1cccs1 ZINC000783022971 1130794435 /nfs/dbraw/zinc/79/44/35/1130794435.db2.gz DWXDDQRAAPGTNH-UHFFFAOYSA-N 1 2 252.383 3.535 20 30 CHEDLO C#CC[N@@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000192237146 1126958925 /nfs/dbraw/zinc/95/89/25/1126958925.db2.gz RYRNCLKILSDHOX-LLVKDONJSA-N 1 2 274.751 3.621 20 30 CHEDLO C#CC[N@H+](C)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000192237146 1126958927 /nfs/dbraw/zinc/95/89/27/1126958927.db2.gz RYRNCLKILSDHOX-LLVKDONJSA-N 1 2 274.751 3.621 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487207223 1127025206 /nfs/dbraw/zinc/02/52/06/1127025206.db2.gz RSUUZEGKGMOGIO-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487207223 1127025209 /nfs/dbraw/zinc/02/52/09/1127025209.db2.gz RSUUZEGKGMOGIO-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCCc3ccccc32)c1 ZINC000912962645 1127117725 /nfs/dbraw/zinc/11/77/25/1127117725.db2.gz XGAKDOHUZSLYFX-HYTQYMIGSA-N 1 2 295.382 3.940 20 30 CHEDLO COc1cccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c1 ZINC000151376658 1127133696 /nfs/dbraw/zinc/13/36/96/1127133696.db2.gz QURUGAFENAZIMG-BQYQJAHWSA-N 1 2 292.338 3.547 20 30 CHEDLO CC(C)c1cc(Br)ccc1C[N@H+](C)CCC#N ZINC001237731257 1131133414 /nfs/dbraw/zinc/13/34/14/1131133414.db2.gz DJTBBXBSIQYQQC-UHFFFAOYSA-N 1 2 295.224 3.918 20 30 CHEDLO CC(C)c1cc(Br)ccc1C[N@@H+](C)CCC#N ZINC001237731257 1131133418 /nfs/dbraw/zinc/13/34/18/1131133418.db2.gz DJTBBXBSIQYQQC-UHFFFAOYSA-N 1 2 295.224 3.918 20 30 CHEDLO CCc1nocc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000351759793 1127208726 /nfs/dbraw/zinc/20/87/26/1127208726.db2.gz LQQKMBZQRVCGSG-FUHWJXTLSA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1nocc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000351759793 1127208730 /nfs/dbraw/zinc/20/87/30/1127208730.db2.gz LQQKMBZQRVCGSG-FUHWJXTLSA-N 1 2 295.386 3.509 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000352010271 1127215739 /nfs/dbraw/zinc/21/57/39/1127215739.db2.gz AQCFACNHVFVLIX-UHFFFAOYSA-N 1 2 278.371 3.683 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000352010271 1127215740 /nfs/dbraw/zinc/21/57/40/1127215740.db2.gz AQCFACNHVFVLIX-UHFFFAOYSA-N 1 2 278.371 3.683 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000352484213 1127236524 /nfs/dbraw/zinc/23/65/24/1127236524.db2.gz MTIWZOYKSCAPKE-UHFFFAOYSA-N 1 2 286.272 3.533 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000354025255 1127286670 /nfs/dbraw/zinc/28/66/70/1127286670.db2.gz ASCIIYKWEPAECH-AWEZNQCLSA-N 1 2 294.402 3.509 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000354025255 1127286674 /nfs/dbraw/zinc/28/66/74/1127286674.db2.gz ASCIIYKWEPAECH-AWEZNQCLSA-N 1 2 294.402 3.509 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000045796722 1127298247 /nfs/dbraw/zinc/29/82/47/1127298247.db2.gz VFDIFCWKIQSHKQ-UHFFFAOYSA-N 1 2 262.356 3.746 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000045796722 1127298248 /nfs/dbraw/zinc/29/82/48/1127298248.db2.gz VFDIFCWKIQSHKQ-UHFFFAOYSA-N 1 2 262.356 3.746 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2ccc(C#N)c(C)c2)c1 ZINC000592355570 1127365852 /nfs/dbraw/zinc/36/58/52/1127365852.db2.gz YICUVKRSVMIBSD-UHFFFAOYSA-N 1 2 284.384 3.871 20 30 CHEDLO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000593054597 1127369924 /nfs/dbraw/zinc/36/99/24/1127369924.db2.gz WQLWTSGOYXKMLT-MRXNPFEDSA-N 1 2 292.810 3.601 20 30 CHEDLO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000593054597 1127369928 /nfs/dbraw/zinc/36/99/28/1127369928.db2.gz WQLWTSGOYXKMLT-MRXNPFEDSA-N 1 2 292.810 3.601 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593650573 1127393342 /nfs/dbraw/zinc/39/33/42/1127393342.db2.gz VKZHRIGXFQDKET-TZMCWYRMSA-N 1 2 258.365 3.577 20 30 CHEDLO FC(F)(F)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000761044397 1127408006 /nfs/dbraw/zinc/40/80/06/1127408006.db2.gz KCUZBCIHJQTVAF-LBPRGKRZSA-N 1 2 287.712 3.576 20 30 CHEDLO FC(F)(F)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000761044397 1127408007 /nfs/dbraw/zinc/40/80/07/1127408007.db2.gz KCUZBCIHJQTVAF-LBPRGKRZSA-N 1 2 287.712 3.576 20 30 CHEDLO COc1ccc[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594500559 1127418965 /nfs/dbraw/zinc/41/89/65/1127418965.db2.gz OULNFDNGEHDVQX-UHFFFAOYSA-N 1 2 281.359 3.503 20 30 CHEDLO Cc1c[nH+]c(CCNc2c(F)cc(C#N)cc2F)c(C)c1 ZINC000594596259 1127422945 /nfs/dbraw/zinc/42/29/45/1127422945.db2.gz RAOIIVANUBEOHV-UHFFFAOYSA-N 1 2 287.313 3.503 20 30 CHEDLO C[C@@H](C#N)C[N@H+](CCSc1ccc(F)cc1F)C1CC1 ZINC000595388724 1127461657 /nfs/dbraw/zinc/46/16/57/1127461657.db2.gz LODAQCGMUWSOHJ-NSHDSACASA-N 1 2 296.386 3.681 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](CCSc1ccc(F)cc1F)C1CC1 ZINC000595388724 1127461659 /nfs/dbraw/zinc/46/16/59/1127461659.db2.gz LODAQCGMUWSOHJ-NSHDSACASA-N 1 2 296.386 3.681 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000595610209 1127470053 /nfs/dbraw/zinc/47/00/53/1127470053.db2.gz TVVVCJYLSUXDBV-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000595610209 1127470056 /nfs/dbraw/zinc/47/00/56/1127470056.db2.gz TVVVCJYLSUXDBV-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613342 1127470345 /nfs/dbraw/zinc/47/03/45/1127470345.db2.gz BILSIFOWJCOOED-CHWSQXEVSA-N 1 2 275.396 3.659 20 30 CHEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613342 1127470347 /nfs/dbraw/zinc/47/03/47/1127470347.db2.gz BILSIFOWJCOOED-CHWSQXEVSA-N 1 2 275.396 3.659 20 30 CHEDLO CCCCc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595610770 1127470499 /nfs/dbraw/zinc/47/04/99/1127470499.db2.gz BYFCDUNQDXGWOS-CYBMUJFWSA-N 1 2 277.437 3.611 20 30 CHEDLO CCCCc1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595610770 1127470500 /nfs/dbraw/zinc/47/05/00/1127470500.db2.gz BYFCDUNQDXGWOS-CYBMUJFWSA-N 1 2 277.437 3.611 20 30 CHEDLO C=CC[N@@H+](Cc1nc([C@H](C)SCC)no1)C(C)(C)C ZINC000595764878 1127474084 /nfs/dbraw/zinc/47/40/84/1127474084.db2.gz FVEFIYUWQUBCGA-NSHDSACASA-N 1 2 283.441 3.670 20 30 CHEDLO C=CC[N@H+](Cc1nc([C@H](C)SCC)no1)C(C)(C)C ZINC000595764878 1127474085 /nfs/dbraw/zinc/47/40/85/1127474085.db2.gz FVEFIYUWQUBCGA-NSHDSACASA-N 1 2 283.441 3.670 20 30 CHEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595700656 1127472944 /nfs/dbraw/zinc/47/29/44/1127472944.db2.gz CYNOKHKTESHQQY-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595700656 1127472947 /nfs/dbraw/zinc/47/29/47/1127472947.db2.gz CYNOKHKTESHQQY-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@](C)(C#N)C3)c2c1 ZINC000596530372 1127507231 /nfs/dbraw/zinc/50/72/31/1127507231.db2.gz CTSZMOWLFUXPHC-SFHVURJKSA-N 1 2 295.386 3.762 20 30 CHEDLO Cc1cc2[nH]c(C[N@@H+](C)[C@H](C)CC#N)cc2c(C)c1 ZINC000360868735 1127516508 /nfs/dbraw/zinc/51/65/08/1127516508.db2.gz AQIVBAAUYPUZDV-CYBMUJFWSA-N 1 2 255.365 3.519 20 30 CHEDLO Cc1cc2[nH]c(C[N@H+](C)[C@H](C)CC#N)cc2c(C)c1 ZINC000360868735 1127516509 /nfs/dbraw/zinc/51/65/09/1127516509.db2.gz AQIVBAAUYPUZDV-CYBMUJFWSA-N 1 2 255.365 3.519 20 30 CHEDLO Cc1cccc2[nH]c(C[N@@H+](CCC#N)C(C)C)cc21 ZINC000596988531 1127524383 /nfs/dbraw/zinc/52/43/83/1127524383.db2.gz ZGLZHQFGFMWRAY-UHFFFAOYSA-N 1 2 255.365 3.600 20 30 CHEDLO Cc1cccc2[nH]c(C[N@H+](CCC#N)C(C)C)cc21 ZINC000596988531 1127524387 /nfs/dbraw/zinc/52/43/87/1127524387.db2.gz ZGLZHQFGFMWRAY-UHFFFAOYSA-N 1 2 255.365 3.600 20 30 CHEDLO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000602485021 1127584589 /nfs/dbraw/zinc/58/45/89/1127584589.db2.gz MJOATWNNPLLDDY-ZDUSSCGKSA-N 1 2 266.335 3.694 20 30 CHEDLO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)CC(F)F ZINC000602485021 1127584593 /nfs/dbraw/zinc/58/45/93/1127584593.db2.gz MJOATWNNPLLDDY-ZDUSSCGKSA-N 1 2 266.335 3.694 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(F)cc(Cl)c1)CC1CC1 ZINC000362505224 1127640287 /nfs/dbraw/zinc/64/02/87/1127640287.db2.gz LSGBJRUVBMKYAS-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CCC[N@H+](Cc1cc(F)cc(Cl)c1)CC1CC1 ZINC000362505224 1127640290 /nfs/dbraw/zinc/64/02/90/1127640290.db2.gz LSGBJRUVBMKYAS-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599688211 1127687885 /nfs/dbraw/zinc/68/78/85/1127687885.db2.gz XDWRKHFJTKTQIN-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599688211 1127687887 /nfs/dbraw/zinc/68/78/87/1127687887.db2.gz XDWRKHFJTKTQIN-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000442683610 1127907627 /nfs/dbraw/zinc/90/76/27/1127907627.db2.gz WDEAGGPSMVMJTO-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000442683610 1127907628 /nfs/dbraw/zinc/90/76/28/1127907628.db2.gz WDEAGGPSMVMJTO-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO N#CC1(CCCC[N@@H+]2CCOC[C@H]2c2ccco2)CCC1 ZINC000929665991 1128010203 /nfs/dbraw/zinc/01/02/03/1128010203.db2.gz DLNSECXHVANVGQ-HNNXBMFYSA-N 1 2 288.391 3.517 20 30 CHEDLO N#CC1(CCCC[N@H+]2CCOC[C@H]2c2ccco2)CCC1 ZINC000929665991 1128010206 /nfs/dbraw/zinc/01/02/06/1128010206.db2.gz DLNSECXHVANVGQ-HNNXBMFYSA-N 1 2 288.391 3.517 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000609145836 1128050419 /nfs/dbraw/zinc/05/04/19/1128050419.db2.gz RWHXRLAUBJVNLK-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000609145836 1128050421 /nfs/dbraw/zinc/05/04/21/1128050421.db2.gz RWHXRLAUBJVNLK-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(C#N)c1O ZINC000926626724 1128183997 /nfs/dbraw/zinc/18/39/97/1128183997.db2.gz JODVYMSMSVDABL-GWCFXTLKSA-N 1 2 282.334 3.596 20 30 CHEDLO CC[C@H]([NH2+]C[C@H](C)CC(F)F)c1cccc(C#N)c1O ZINC000926626727 1128184131 /nfs/dbraw/zinc/18/41/31/1128184131.db2.gz JODVYMSMSVDABL-MFKMUULPSA-N 1 2 282.334 3.596 20 30 CHEDLO CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(C#N)c1O ZINC000926674847 1128187286 /nfs/dbraw/zinc/18/72/86/1128187286.db2.gz FIXJKVZKLUVFCI-XJKSGUPXSA-N 1 2 295.386 3.503 20 30 CHEDLO CCc1cc(C[N@@H+]2Cc3cccc(OC)c3C2)ccc1C#N ZINC001238770248 1131242324 /nfs/dbraw/zinc/24/23/24/1131242324.db2.gz ZPMCHMIZOVZULP-UHFFFAOYSA-N 1 2 292.382 3.645 20 30 CHEDLO CCc1cc(C[N@H+]2Cc3cccc(OC)c3C2)ccc1C#N ZINC001238770248 1131242328 /nfs/dbraw/zinc/24/23/28/1131242328.db2.gz ZPMCHMIZOVZULP-UHFFFAOYSA-N 1 2 292.382 3.645 20 30 CHEDLO CC(=[NH+]Nc1cccc(Cl)c1C)c1csc(N)n1 ZINC000915051440 1128277930 /nfs/dbraw/zinc/27/79/30/1128277930.db2.gz UKOJPCHBXGISBN-UHFFFAOYSA-N 1 2 280.784 3.523 20 30 CHEDLO C[C@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000930214726 1128307644 /nfs/dbraw/zinc/30/76/44/1128307644.db2.gz VZADBADUFWONTN-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO C=C(C)C[N@@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000777965479 1128351537 /nfs/dbraw/zinc/35/15/37/1128351537.db2.gz WRIPMSLYCOGCKY-UHFFFAOYSA-N 1 2 287.432 3.688 20 30 CHEDLO C=C(C)C[N@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000777965479 1128351540 /nfs/dbraw/zinc/35/15/40/1128351540.db2.gz WRIPMSLYCOGCKY-UHFFFAOYSA-N 1 2 287.432 3.688 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000932151632 1128397196 /nfs/dbraw/zinc/39/71/96/1128397196.db2.gz DLOWCNPTRCJYIT-LBPRGKRZSA-N 1 2 256.374 3.637 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000932151632 1128397198 /nfs/dbraw/zinc/39/71/98/1128397198.db2.gz DLOWCNPTRCJYIT-LBPRGKRZSA-N 1 2 256.374 3.637 20 30 CHEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1C(C)C ZINC000934510937 1128462278 /nfs/dbraw/zinc/46/22/78/1128462278.db2.gz MNVMJVNRWMPOJQ-INIZCTEOSA-N 1 2 298.430 3.545 20 30 CHEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1C(C)C ZINC000934510937 1128462281 /nfs/dbraw/zinc/46/22/81/1128462281.db2.gz MNVMJVNRWMPOJQ-INIZCTEOSA-N 1 2 298.430 3.545 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000130677896 1128500282 /nfs/dbraw/zinc/50/02/82/1128500282.db2.gz XJOAIDLBSXOSSJ-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000130677896 1128500283 /nfs/dbraw/zinc/50/02/83/1128500283.db2.gz XJOAIDLBSXOSSJ-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C=C[C@H](CC)CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000935759883 1128501574 /nfs/dbraw/zinc/50/15/74/1128501574.db2.gz PPFIJCNULXZBSA-CYBMUJFWSA-N 1 2 283.375 3.926 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1ncccc1F)c1ccco1 ZINC000556880434 1128634441 /nfs/dbraw/zinc/63/44/41/1128634441.db2.gz YJNWCPDZYFAZIB-CYBMUJFWSA-N 1 2 260.312 3.611 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2cc(OC(F)(F)F)cc[nH+]2)CC1 ZINC001212859134 1128636852 /nfs/dbraw/zinc/63/68/52/1128636852.db2.gz BAKFUPAZDLOXDM-SECBINFHSA-N 1 2 283.253 3.600 20 30 CHEDLO N#C[C@H]1CC=C(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC001212860713 1128654984 /nfs/dbraw/zinc/65/49/84/1128654984.db2.gz DNGHKSHQXFNSNH-AWEZNQCLSA-N 1 2 267.376 3.906 20 30 CHEDLO C[C@H](C#N)Oc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000157692448 1128660475 /nfs/dbraw/zinc/66/04/75/1128660475.db2.gz DBEJTQQWBADHAF-CQSZACIVSA-N 1 2 295.386 3.656 20 30 CHEDLO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001258044233 1128685888 /nfs/dbraw/zinc/68/58/88/1128685888.db2.gz KLJZXUBJNHKEFN-KGLIPLIRSA-N 1 2 277.399 3.685 20 30 CHEDLO CCCCCCC[C@@H](C)[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001258044233 1128685891 /nfs/dbraw/zinc/68/58/91/1128685891.db2.gz KLJZXUBJNHKEFN-KGLIPLIRSA-N 1 2 277.399 3.685 20 30 CHEDLO CCOc1ccc(/C=[NH+]\CCc2cccs2)c(O)c1 ZINC000920945262 1128696063 /nfs/dbraw/zinc/69/60/63/1128696063.db2.gz UETLMDUNEMNMRA-WJDWOHSUSA-N 1 2 275.373 3.514 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000610004207 1128733940 /nfs/dbraw/zinc/73/39/40/1128733940.db2.gz FJSJXXHFFIEVMP-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000610004207 1128733942 /nfs/dbraw/zinc/73/39/42/1128733942.db2.gz FJSJXXHFFIEVMP-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1cc(C)cc(OCCC[N@H+](CC#N)C2CCCC2)c1 ZINC000610012863 1128735611 /nfs/dbraw/zinc/73/56/11/1128735611.db2.gz MKYZBASHCDGPKG-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO Cc1cc(C)cc(OCCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000610012863 1128735612 /nfs/dbraw/zinc/73/56/12/1128735612.db2.gz MKYZBASHCDGPKG-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO Cc1cc(C[NH2+]C2(C(F)F)CCCCC2)ccc1C#N ZINC000510117503 1117916445 /nfs/dbraw/zinc/91/64/45/1117916445.db2.gz GCZZRICREWZDOP-UHFFFAOYSA-N 1 2 278.346 3.924 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(F)c(F)c1 ZINC000274920787 1117972051 /nfs/dbraw/zinc/97/20/51/1117972051.db2.gz YZMPUXWFPHYOMA-OAHLLOKOSA-N 1 2 278.302 3.668 20 30 CHEDLO C=CCN(Cc1ccccc1)c1cc(N)cc(Cl)[nH+]1 ZINC001167126426 1118041506 /nfs/dbraw/zinc/04/15/06/1118041506.db2.gz ZJWHJNFULMKQAS-UHFFFAOYSA-N 1 2 273.767 3.510 20 30 CHEDLO C=CCN(Cc1ccccc1)c1[nH+]ccc(C)c1NC(C)=O ZINC001167126549 1118041584 /nfs/dbraw/zinc/04/15/84/1118041584.db2.gz AEBLISCEGHRYDJ-UHFFFAOYSA-N 1 2 295.386 3.541 20 30 CHEDLO N#Cc1cc(CNc2ccc([NH+]3CCCC3)cc2)cs1 ZINC000921569316 1118201309 /nfs/dbraw/zinc/20/13/09/1118201309.db2.gz NSJLJAAVEKALEJ-UHFFFAOYSA-N 1 2 283.400 3.832 20 30 CHEDLO CNc1ccc(Nc2cc(C(F)(F)F)ccc2C#N)c[nH+]1 ZINC001203458549 1118226899 /nfs/dbraw/zinc/22/68/99/1118226899.db2.gz OASHVADXRFOTFR-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)[NH2+]c1ccc2c(c1)CCCN2C ZINC000926066782 1118311983 /nfs/dbraw/zinc/31/19/83/1118311983.db2.gz QTPIOSNQSQXXBO-ZDUSSCGKSA-N 1 2 271.408 3.809 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000926066782 1118311988 /nfs/dbraw/zinc/31/19/88/1118311988.db2.gz QTPIOSNQSQXXBO-ZDUSSCGKSA-N 1 2 271.408 3.809 20 30 CHEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000926066782 1118311991 /nfs/dbraw/zinc/31/19/91/1118311991.db2.gz QTPIOSNQSQXXBO-ZDUSSCGKSA-N 1 2 271.408 3.809 20 30 CHEDLO C=CC[N@@H+](Cc1c(F)cncc1F)CC1CCCCC1 ZINC001167392760 1118444423 /nfs/dbraw/zinc/44/44/23/1118444423.db2.gz WHAXEPUVDZAKFK-UHFFFAOYSA-N 1 2 280.362 3.928 20 30 CHEDLO C=CC[N@H+](Cc1c(F)cncc1F)CC1CCCCC1 ZINC001167392760 1118444425 /nfs/dbraw/zinc/44/44/25/1118444425.db2.gz WHAXEPUVDZAKFK-UHFFFAOYSA-N 1 2 280.362 3.928 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1c[nH+]cc(C)c1C ZINC001213530429 1118544775 /nfs/dbraw/zinc/54/47/75/1118544775.db2.gz AWDFFQCJGOYEDA-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(Cl)c1 ZINC000255297557 1118568070 /nfs/dbraw/zinc/56/80/70/1118568070.db2.gz MWQKDWFWYBUHMR-FPLPWBNLSA-N 1 2 282.730 3.884 20 30 CHEDLO C=CCCCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC001167461798 1118593803 /nfs/dbraw/zinc/59/38/03/1118593803.db2.gz SIYHHEJIXORWPY-MRXNPFEDSA-N 1 2 293.382 3.718 20 30 CHEDLO C=CCCCCC[N@H+](C)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC001167461798 1118593808 /nfs/dbraw/zinc/59/38/08/1118593808.db2.gz SIYHHEJIXORWPY-MRXNPFEDSA-N 1 2 293.382 3.718 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1csc(Cl)c1Cl ZINC000308201510 1118607362 /nfs/dbraw/zinc/60/73/62/1118607362.db2.gz YQWRVILGDSFBKC-UHFFFAOYSA-N 1 2 256.585 3.897 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)[C@H]1CCCc2ccccc21 ZINC000933422153 1118691407 /nfs/dbraw/zinc/69/14/07/1118691407.db2.gz SOADZZRFIZNYIT-SFHVURJKSA-N 1 2 294.398 3.804 20 30 CHEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)[C@H]1CCCc2ccccc21 ZINC000933422153 1118691408 /nfs/dbraw/zinc/69/14/08/1118691408.db2.gz SOADZZRFIZNYIT-SFHVURJKSA-N 1 2 294.398 3.804 20 30 CHEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1csc(C#N)c1 ZINC000891591038 1118714881 /nfs/dbraw/zinc/71/48/81/1118714881.db2.gz FLFCDUQAHCGQEY-LLVKDONJSA-N 1 2 274.364 3.952 20 30 CHEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1csc(C#N)c1 ZINC000891591038 1118714885 /nfs/dbraw/zinc/71/48/85/1118714885.db2.gz FLFCDUQAHCGQEY-LLVKDONJSA-N 1 2 274.364 3.952 20 30 CHEDLO CC(C)CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000891937892 1118856210 /nfs/dbraw/zinc/85/62/10/1118856210.db2.gz SWXLUADERZAYAQ-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO CC(C)CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000891937892 1118856213 /nfs/dbraw/zinc/85/62/13/1118856213.db2.gz SWXLUADERZAYAQ-UHFFFAOYSA-N 1 2 259.397 3.624 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC000093952781 1118869652 /nfs/dbraw/zinc/86/96/52/1118869652.db2.gz SSRAAAUZYNUBCT-UHFFFAOYSA-N 1 2 299.187 3.712 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC000093952781 1118869658 /nfs/dbraw/zinc/86/96/58/1118869658.db2.gz SSRAAAUZYNUBCT-UHFFFAOYSA-N 1 2 299.187 3.712 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610966928 1118913884 /nfs/dbraw/zinc/91/38/84/1118913884.db2.gz GGSDLYFTKJFXLQ-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610966928 1118913887 /nfs/dbraw/zinc/91/38/87/1118913887.db2.gz GGSDLYFTKJFXLQ-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO C=C(CC)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000582134892 1119020528 /nfs/dbraw/zinc/02/05/28/1119020528.db2.gz XMOMHHUODUHCGQ-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO C=C(CC)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000582134892 1119020532 /nfs/dbraw/zinc/02/05/32/1119020532.db2.gz XMOMHHUODUHCGQ-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO N#CCc1ccc(COc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000342472010 1119043140 /nfs/dbraw/zinc/04/31/40/1119043140.db2.gz BGGZXLSFHLWOLB-UHFFFAOYSA-N 1 2 289.338 3.517 20 30 CHEDLO CC[C@@H](C)Oc1cc(C[N@H+](CC)CCC#N)ccc1OC ZINC000127602140 1119071583 /nfs/dbraw/zinc/07/15/83/1119071583.db2.gz NLJKHTGOUAKPAW-CQSZACIVSA-N 1 2 290.407 3.608 20 30 CHEDLO CC[C@@H](C)Oc1cc(C[N@@H+](CC)CCC#N)ccc1OC ZINC000127602140 1119071586 /nfs/dbraw/zinc/07/15/86/1119071586.db2.gz NLJKHTGOUAKPAW-CQSZACIVSA-N 1 2 290.407 3.608 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)s1 ZINC000255522650 1119157148 /nfs/dbraw/zinc/15/71/48/1119157148.db2.gz GPTVHFZXDQRBCY-VURMDHGXSA-N 1 2 282.368 3.854 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(NCc2ccccc2C#N)c1 ZINC001167632856 1119247787 /nfs/dbraw/zinc/24/77/87/1119247787.db2.gz DDQLMLKCXOPNEQ-UHFFFAOYSA-N 1 2 288.354 3.571 20 30 CHEDLO N#Cc1ccccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161581 1119308070 /nfs/dbraw/zinc/30/80/70/1119308070.db2.gz MJKTZPFAPJISOB-UHFFFAOYSA-N 1 2 280.346 3.862 20 30 CHEDLO N#Cc1ccccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161581 1119308072 /nfs/dbraw/zinc/30/80/72/1119308072.db2.gz MJKTZPFAPJISOB-UHFFFAOYSA-N 1 2 280.346 3.862 20 30 CHEDLO N#CC1(C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000343165358 1119336383 /nfs/dbraw/zinc/33/63/83/1119336383.db2.gz ZDAFZTFYUPARKK-AWEZNQCLSA-N 1 2 260.768 3.781 20 30 CHEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000343165358 1119336386 /nfs/dbraw/zinc/33/63/86/1119336386.db2.gz ZDAFZTFYUPARKK-AWEZNQCLSA-N 1 2 260.768 3.781 20 30 CHEDLO N#Cc1ncc(Cl)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087803 1119343463 /nfs/dbraw/zinc/34/34/63/1119343463.db2.gz AYPZPDVRAOCQTC-UHFFFAOYSA-N 1 2 295.733 3.740 20 30 CHEDLO Cc1cccc(CCCNc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000343228827 1119357360 /nfs/dbraw/zinc/35/73/60/1119357360.db2.gz YUNJGCMIWMLURP-UHFFFAOYSA-N 1 2 285.778 3.960 20 30 CHEDLO CNc1ccc(C#N)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089859 1119391097 /nfs/dbraw/zinc/39/10/97/1119391097.db2.gz IFTTUXADBHPHGB-UHFFFAOYSA-N 1 2 289.342 3.734 20 30 CHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)c(F)c2)cc1C#N ZINC000117226893 1119598399 /nfs/dbraw/zinc/59/83/99/1119598399.db2.gz PRUMCKYIKHPVFC-KEBDBYFISA-N 1 2 285.297 3.725 20 30 CHEDLO Cc1cc(NCCc2ccc(C#N)cc2)ccc1[NH+](C)C ZINC001167679751 1119663909 /nfs/dbraw/zinc/66/39/09/1119663909.db2.gz XSEPDXZIBLZBNO-UHFFFAOYSA-N 1 2 279.387 3.587 20 30 CHEDLO Cc1cc([NH2+]CCc2ccc(C#N)cc2)ccc1N(C)C ZINC001167679751 1119663910 /nfs/dbraw/zinc/66/39/10/1119663910.db2.gz XSEPDXZIBLZBNO-UHFFFAOYSA-N 1 2 279.387 3.587 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1ccco1 ZINC000658220897 1119704029 /nfs/dbraw/zinc/70/40/29/1119704029.db2.gz AMOSYZKGEUSVEV-GFCCVEGCSA-N 1 2 290.338 3.619 20 30 CHEDLO CC(C)COc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166923 1119739823 /nfs/dbraw/zinc/73/98/23/1119739823.db2.gz FVBXNFDRPCVSMH-GOSISDBHSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166923 1119739827 /nfs/dbraw/zinc/73/98/27/1119739827.db2.gz FVBXNFDRPCVSMH-GOSISDBHSA-N 1 2 286.419 3.847 20 30 CHEDLO CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163563 1119739965 /nfs/dbraw/zinc/73/99/65/1119739965.db2.gz ULMNMKDIBYNEGL-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163563 1119739968 /nfs/dbraw/zinc/73/99/68/1119739968.db2.gz ULMNMKDIBYNEGL-KRWDZBQOSA-N 1 2 272.392 3.601 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)c(Br)cn1 ZINC000628253987 1119763690 /nfs/dbraw/zinc/76/36/90/1119763690.db2.gz HGYRUPYTNXFYLB-CYBMUJFWSA-N 1 2 295.224 3.693 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(Br)cn1 ZINC000628253987 1119763691 /nfs/dbraw/zinc/76/36/91/1119763691.db2.gz HGYRUPYTNXFYLB-CYBMUJFWSA-N 1 2 295.224 3.693 20 30 CHEDLO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@](C)(C#N)C3)c2O1 ZINC000612405889 1119783806 /nfs/dbraw/zinc/78/38/06/1119783806.db2.gz DMTPDCXOPHNYBF-GOSISDBHSA-N 1 2 284.403 3.526 20 30 CHEDLO CC1(C)Cc2cccc(C[N@H+]3CCC[C@](C)(C#N)C3)c2O1 ZINC000612405889 1119783809 /nfs/dbraw/zinc/78/38/09/1119783809.db2.gz DMTPDCXOPHNYBF-GOSISDBHSA-N 1 2 284.403 3.526 20 30 CHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc2ccccc2o1 ZINC000255865916 1119786655 /nfs/dbraw/zinc/78/66/55/1119786655.db2.gz TTZSESYFTOXPPL-HJWRWDBZSA-N 1 2 288.306 3.977 20 30 CHEDLO CCCOc1c(C[NH2+]CC(C)(C)C#N)cccc1OCC ZINC000612585113 1119802795 /nfs/dbraw/zinc/80/27/95/1119802795.db2.gz OJOUGMWBKJIGFA-UHFFFAOYSA-N 1 2 290.407 3.513 20 30 CHEDLO CCCc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000613443538 1119927861 /nfs/dbraw/zinc/92/78/61/1119927861.db2.gz PHPDGHWIXJXAMM-UHFFFAOYSA-N 1 2 265.360 3.712 20 30 CHEDLO Cc1ccc(Nc2cc(Cl)ccc2C#N)c(C)[nH+]1 ZINC000094666195 1120063930 /nfs/dbraw/zinc/06/39/30/1120063930.db2.gz YSHFYOHLJCPCGO-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(Br)ccc1F ZINC000122337720 1120144867 /nfs/dbraw/zinc/14/48/67/1120144867.db2.gz DXYDOOSVOGIQDH-SECBINFHSA-N 1 2 299.187 3.789 20 30 CHEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(Br)ccc1F ZINC000122337471 1120144910 /nfs/dbraw/zinc/14/49/10/1120144910.db2.gz DXYDOOSVOGIQDH-VIFPVBQESA-N 1 2 299.187 3.789 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(C)(C)C#N ZINC000405107364 1120189346 /nfs/dbraw/zinc/18/93/46/1120189346.db2.gz HTROUIXEXFJCEC-NSHDSACASA-N 1 2 250.773 3.883 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(C)(C)C#N ZINC000405107364 1120189347 /nfs/dbraw/zinc/18/93/47/1120189347.db2.gz HTROUIXEXFJCEC-NSHDSACASA-N 1 2 250.773 3.883 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CCCOC2CCCC2)c1 ZINC000057752499 1120170794 /nfs/dbraw/zinc/17/07/94/1120170794.db2.gz XMEGIKOZZLOLEP-QGOAFFKASA-N 1 2 291.391 3.559 20 30 CHEDLO CCc1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2cccnc2)cc1 ZINC000926874355 1120173972 /nfs/dbraw/zinc/17/39/72/1120173972.db2.gz PSVBDTDHGQLRLM-GOSISDBHSA-N 1 2 291.398 3.627 20 30 CHEDLO CC[C@@H](C)C[C@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168688857 1120252859 /nfs/dbraw/zinc/25/28/59/1120252859.db2.gz FBIINJBBSODRTB-OLZOCXBDSA-N 1 2 257.381 3.873 20 30 CHEDLO C=C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000659910474 1120281205 /nfs/dbraw/zinc/28/12/05/1120281205.db2.gz KVMNHJHQTGHVGK-UHFFFAOYSA-N 1 2 271.282 3.579 20 30 CHEDLO N#CC1CCC(C[NH2+][C@H](c2ccccc2)C(F)F)CC1 ZINC000930565843 1120282674 /nfs/dbraw/zinc/28/26/74/1120282674.db2.gz DFWWSEDUBOOOAQ-SSDMNJCBSA-N 1 2 278.346 3.912 20 30 CHEDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000311779055 1120342661 /nfs/dbraw/zinc/34/26/61/1120342661.db2.gz HREQVQHSUBMECT-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000311779055 1120342666 /nfs/dbraw/zinc/34/26/66/1120342666.db2.gz HREQVQHSUBMECT-UHFFFAOYSA-N 1 2 274.751 3.745 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H]1CCCc2ccc(F)cc21 ZINC000428860281 1120540653 /nfs/dbraw/zinc/54/06/53/1120540653.db2.gz FPTNEFHQLLSZHT-MRXNPFEDSA-N 1 2 258.340 3.605 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H]1CCCc2ccc(F)cc21 ZINC000428860281 1120540658 /nfs/dbraw/zinc/54/06/58/1120540658.db2.gz FPTNEFHQLLSZHT-MRXNPFEDSA-N 1 2 258.340 3.605 20 30 CHEDLO C=CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428920914 1120568256 /nfs/dbraw/zinc/56/82/56/1120568256.db2.gz AQFOGMRTUBGLQM-FZMZJTMJSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428920914 1120568259 /nfs/dbraw/zinc/56/82/59/1120568259.db2.gz AQFOGMRTUBGLQM-FZMZJTMJSA-N 1 2 285.309 3.653 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F ZINC000131202691 1120651443 /nfs/dbraw/zinc/65/14/43/1120651443.db2.gz CXMQKBGGUAEECP-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F ZINC000131202691 1120651449 /nfs/dbraw/zinc/65/14/49/1120651449.db2.gz CXMQKBGGUAEECP-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=CCCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533846 1120775720 /nfs/dbraw/zinc/77/57/20/1120775720.db2.gz ASPPZTNENHMNRF-LBPRGKRZSA-N 1 2 299.340 3.989 20 30 CHEDLO C=CCCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533846 1120775724 /nfs/dbraw/zinc/77/57/24/1120775724.db2.gz ASPPZTNENHMNRF-LBPRGKRZSA-N 1 2 299.340 3.989 20 30 CHEDLO Cc1ccc2[nH]c(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc2c1C ZINC000473134527 1120794241 /nfs/dbraw/zinc/79/42/41/1120794241.db2.gz XTISRBVMAXDXIA-LBPRGKRZSA-N 1 2 281.403 3.909 20 30 CHEDLO Cc1ccc2[nH]c(C[N@H+](C[C@@H](C)C#N)C3CC3)cc2c1C ZINC000473134527 1120794244 /nfs/dbraw/zinc/79/42/44/1120794244.db2.gz XTISRBVMAXDXIA-LBPRGKRZSA-N 1 2 281.403 3.909 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2scnc2C)cc1 ZINC000596982802 1120817830 /nfs/dbraw/zinc/81/78/30/1120817830.db2.gz JSBYDPJZYIHBMS-UHFFFAOYSA-N 1 2 285.416 3.854 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2scnc2C)cc1 ZINC000596982802 1120817836 /nfs/dbraw/zinc/81/78/36/1120817836.db2.gz JSBYDPJZYIHBMS-UHFFFAOYSA-N 1 2 285.416 3.854 20 30 CHEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2)cc1 ZINC000604493408 1120999989 /nfs/dbraw/zinc/99/99/89/1120999989.db2.gz MADJGGIHISPWRB-UHFFFAOYSA-N 1 2 294.398 3.716 20 30 CHEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2)cc1 ZINC000604493408 1120999992 /nfs/dbraw/zinc/99/99/92/1120999992.db2.gz MADJGGIHISPWRB-UHFFFAOYSA-N 1 2 294.398 3.716 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001167846047 1121090328 /nfs/dbraw/zinc/09/03/28/1121090328.db2.gz SFHXEKIJHYZETC-CTYIDZIISA-N 1 2 280.375 3.581 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@H](c2ccccc2)O1 ZINC000245570382 1121207293 /nfs/dbraw/zinc/20/72/93/1121207293.db2.gz WXAJEXIGTFALEK-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](c2ccccc2)O1 ZINC000245570382 1121207294 /nfs/dbraw/zinc/20/72/94/1121207294.db2.gz WXAJEXIGTFALEK-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H](C#N)c1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1 ZINC001175343397 1121272599 /nfs/dbraw/zinc/27/25/99/1121272599.db2.gz HVSAIFPJLNGAEF-LBPRGKRZSA-N 1 2 266.348 3.518 20 30 CHEDLO C=C(C)c1ccccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345126 1121274055 /nfs/dbraw/zinc/27/40/55/1121274055.db2.gz LLAGRJJLMROFNW-UHFFFAOYSA-N 1 2 253.349 3.924 20 30 CHEDLO CN(C)c1ccc(Nc2cccc3c(C#N)cccc23)c[nH+]1 ZINC001175344268 1121274742 /nfs/dbraw/zinc/27/47/42/1121274742.db2.gz CCKUEXKMSGJKAN-UHFFFAOYSA-N 1 2 288.354 3.916 20 30 CHEDLO CSc1cc(Nc2cc(F)cc(C#N)c2)cc[nH+]1 ZINC001175682067 1121430355 /nfs/dbraw/zinc/43/03/55/1121430355.db2.gz CEZSVOYSDMLRSH-UHFFFAOYSA-N 1 2 259.309 3.558 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2cc(F)cc(C#N)c2)cc1 ZINC001175687863 1121432587 /nfs/dbraw/zinc/43/25/87/1121432587.db2.gz NKSUWGYKLRSXIH-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2cc(F)cc(C#N)c2)cc1 ZINC001175687863 1121432590 /nfs/dbraw/zinc/43/25/90/1121432590.db2.gz NKSUWGYKLRSXIH-UHFFFAOYSA-N 1 2 269.323 3.897 20 30 CHEDLO Clc1cccc(C#CC[N@@H+]2CCOc3ccccc3C2)c1 ZINC000676556916 1121443363 /nfs/dbraw/zinc/44/33/63/1121443363.db2.gz BAHXCIFWBDLGHD-UHFFFAOYSA-N 1 2 297.785 3.586 20 30 CHEDLO Clc1cccc(C#CC[N@H+]2CCOc3ccccc3C2)c1 ZINC000676556916 1121443365 /nfs/dbraw/zinc/44/33/65/1121443365.db2.gz BAHXCIFWBDLGHD-UHFFFAOYSA-N 1 2 297.785 3.586 20 30 CHEDLO C=CCn1cc2ccc(NCc3c[nH+]cn3C(C)C)cc2n1 ZINC000922980533 1121502923 /nfs/dbraw/zinc/50/29/23/1121502923.db2.gz AEALNNHKBUBJJN-UHFFFAOYSA-N 1 2 295.390 3.612 20 30 CHEDLO COc1cc[nH+]cc1Nc1c(C)cc(C#N)cc1Cl ZINC001176121566 1121558218 /nfs/dbraw/zinc/55/82/18/1121558218.db2.gz XUIOMVDPKRHXPO-UHFFFAOYSA-N 1 2 273.723 3.667 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000509827148 1121625297 /nfs/dbraw/zinc/62/52/97/1121625297.db2.gz OCLNVQNPEJMMSY-GFCCVEGCSA-N 1 2 286.350 3.986 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000509827148 1121625302 /nfs/dbraw/zinc/62/53/02/1121625302.db2.gz OCLNVQNPEJMMSY-GFCCVEGCSA-N 1 2 286.350 3.986 20 30 CHEDLO C#CC[N@@H+](Cc1ccncc1F)[C@@H]1CCCc2ccccc21 ZINC001176451434 1121633342 /nfs/dbraw/zinc/63/33/42/1121633342.db2.gz CAABEKDUHLMEIX-LJQANCHMSA-N 1 2 294.373 3.734 20 30 CHEDLO C#CC[N@H+](Cc1ccncc1F)[C@@H]1CCCc2ccccc21 ZINC001176451434 1121633343 /nfs/dbraw/zinc/63/33/43/1121633343.db2.gz CAABEKDUHLMEIX-LJQANCHMSA-N 1 2 294.373 3.734 20 30 CHEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300918 1121640429 /nfs/dbraw/zinc/64/04/29/1121640429.db2.gz FOTIGKSRTLIOSO-UKRRQHHQSA-N 1 2 287.794 3.573 20 30 CHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300918 1121640434 /nfs/dbraw/zinc/64/04/34/1121640434.db2.gz FOTIGKSRTLIOSO-UKRRQHHQSA-N 1 2 287.794 3.573 20 30 CHEDLO C[N@H+](Cc1ccccc1Oc1cccnc1)CC(C)(C)C#N ZINC000433318376 1121645329 /nfs/dbraw/zinc/64/53/29/1121645329.db2.gz OHQPZPNHFQANRU-UHFFFAOYSA-N 1 2 295.386 3.855 20 30 CHEDLO C[N@@H+](Cc1ccccc1Oc1cccnc1)CC(C)(C)C#N ZINC000433318376 1121645332 /nfs/dbraw/zinc/64/53/32/1121645332.db2.gz OHQPZPNHFQANRU-UHFFFAOYSA-N 1 2 295.386 3.855 20 30 CHEDLO N#Cc1cc(Nc2ccccc2-n2cc[nH+]c2)ccc1F ZINC001176615934 1121661606 /nfs/dbraw/zinc/66/16/06/1121661606.db2.gz UDYHDWDQVLLPJQ-UHFFFAOYSA-N 1 2 278.290 3.627 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@H](C)c1cccs1 ZINC000052440325 1121686950 /nfs/dbraw/zinc/68/69/50/1121686950.db2.gz NVPXAKBFAQTGLC-SECBINFHSA-N 1 2 260.200 3.650 20 30 CHEDLO Cc1csc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001176743790 1121686737 /nfs/dbraw/zinc/68/67/37/1121686737.db2.gz MOUALDPILJDTKP-UHFFFAOYSA-N 1 2 284.388 3.667 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000052440325 1121686949 /nfs/dbraw/zinc/68/69/49/1121686949.db2.gz NVPXAKBFAQTGLC-SECBINFHSA-N 1 2 260.200 3.650 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000397661213 1121691968 /nfs/dbraw/zinc/69/19/68/1121691968.db2.gz CMNYXNBNORHLTP-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000397661213 1121691970 /nfs/dbraw/zinc/69/19/70/1121691970.db2.gz CMNYXNBNORHLTP-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000614402573 1121710911 /nfs/dbraw/zinc/71/09/11/1121710911.db2.gz KQNGDAZGQCBWPX-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000614402573 1121710917 /nfs/dbraw/zinc/71/09/17/1121710917.db2.gz KQNGDAZGQCBWPX-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000614402819 1121711271 /nfs/dbraw/zinc/71/12/71/1121711271.db2.gz SDGAIWGBMPYCID-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000614402819 1121711278 /nfs/dbraw/zinc/71/12/78/1121711278.db2.gz SDGAIWGBMPYCID-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CN(Cc1ccsc1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166822210 1121784067 /nfs/dbraw/zinc/78/40/67/1121784067.db2.gz AWVHFWGIHFWRSB-UHFFFAOYSA-N 1 2 279.368 3.804 20 30 CHEDLO COc1ccccc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000730148388 1121794421 /nfs/dbraw/zinc/79/44/21/1121794421.db2.gz SFDBPXLWFACNEA-UHFFFAOYSA-N 1 2 291.354 3.501 20 30 CHEDLO CCn1c(C)cc(C=NNc2cc[nH+]c3ccccc23)c1C ZINC000730147208 1121795010 /nfs/dbraw/zinc/79/50/10/1121795010.db2.gz NALFOCBMXRCURR-UHFFFAOYSA-N 1 2 292.386 3.541 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CC2(C)CCCC2)c1O ZINC000731155553 1121850584 /nfs/dbraw/zinc/85/05/84/1121850584.db2.gz KKZYEPPVNLUHAZ-BOPFTXTBSA-N 1 2 261.365 3.790 20 30 CHEDLO C=C(CC)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC001182356615 1122147463 /nfs/dbraw/zinc/14/74/63/1122147463.db2.gz MBWIUDJYDLOFAS-CQSZACIVSA-N 1 2 253.336 3.809 20 30 CHEDLO O=[N+]([O-])c1ccc(N[NH+]=C2CCCNc3ccccc32)cc1 ZINC000774302225 1122152236 /nfs/dbraw/zinc/15/22/36/1122152236.db2.gz RDMOOHGCAJALFB-UHFFFAOYSA-N 1 2 296.330 3.617 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Cl)cn1 ZINC000774385928 1122159087 /nfs/dbraw/zinc/15/90/87/1122159087.db2.gz UJMBOVOYVNDNMN-UHFFFAOYSA-N 1 2 296.761 3.541 20 30 CHEDLO Cc1ccc(Nc2ccc3nc(C#N)sc3c2)c(C)[nH+]1 ZINC001203374521 1122201722 /nfs/dbraw/zinc/20/17/22/1122201722.db2.gz KOLZWEWAWRZFFD-UHFFFAOYSA-N 1 2 280.356 3.923 20 30 CHEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OCC ZINC001183312474 1122217496 /nfs/dbraw/zinc/21/74/96/1122217496.db2.gz KMXPNGTVLPQMTO-UONOGXRCSA-N 1 2 289.847 3.865 20 30 CHEDLO N#Cc1cc(Cl)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184968977 1122304108 /nfs/dbraw/zinc/30/41/08/1122304108.db2.gz SBXHOEYFXGGHDW-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000076153783 1129047525 /nfs/dbraw/zinc/04/75/25/1129047525.db2.gz FPAYAFDUCXSMTQ-DLBZAZTESA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000076153783 1129047528 /nfs/dbraw/zinc/04/75/28/1129047528.db2.gz FPAYAFDUCXSMTQ-DLBZAZTESA-N 1 2 297.427 3.723 20 30 CHEDLO Cc1c[nH+]c(Nc2c(C#N)cnc3c(Cl)cccc32)[nH]1 ZINC001185736124 1122358293 /nfs/dbraw/zinc/35/82/93/1122358293.db2.gz PUAGQOSRKLJHBC-UHFFFAOYSA-N 1 2 283.722 3.535 20 30 CHEDLO N#CCC[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000514825422 1122455688 /nfs/dbraw/zinc/45/56/88/1122455688.db2.gz UNLHCTCGXPUPKO-QGZVFWFLSA-N 1 2 278.355 3.680 20 30 CHEDLO C=CC[N@@H+](Cc1cncn1C(C)C)Cc1cccc(C#N)c1 ZINC000425327687 1122456189 /nfs/dbraw/zinc/45/61/89/1122456189.db2.gz PXKOZFKIWRBMJV-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO C=CC[N@H+](Cc1cncn1C(C)C)Cc1cccc(C#N)c1 ZINC000425327687 1122456192 /nfs/dbraw/zinc/45/61/92/1122456192.db2.gz PXKOZFKIWRBMJV-UHFFFAOYSA-N 1 2 294.402 3.524 20 30 CHEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1F ZINC001190405765 1122536797 /nfs/dbraw/zinc/53/67/97/1122536797.db2.gz ASANSMYDIHGAMA-UHFFFAOYSA-N 1 2 287.765 3.963 20 30 CHEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1F ZINC001190405765 1122536801 /nfs/dbraw/zinc/53/68/01/1122536801.db2.gz ASANSMYDIHGAMA-UHFFFAOYSA-N 1 2 287.765 3.963 20 30 CHEDLO C=CCCCC[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC001190560501 1122542950 /nfs/dbraw/zinc/54/29/50/1122542950.db2.gz KWOPZJBRRWCPRA-UHFFFAOYSA-N 1 2 295.810 3.671 20 30 CHEDLO C=CCCCC[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC001190560501 1122542954 /nfs/dbraw/zinc/54/29/54/1122542954.db2.gz KWOPZJBRRWCPRA-UHFFFAOYSA-N 1 2 295.810 3.671 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)c(F)c1 ZINC001193576204 1122698674 /nfs/dbraw/zinc/69/86/74/1122698674.db2.gz ZSLASJWKWQSJPV-INIZCTEOSA-N 1 2 292.304 3.906 20 30 CHEDLO Cc1ccc(CCC/[NH+]=C/c2cccc(O)c2O)c(C)c1 ZINC000017309558 1122741377 /nfs/dbraw/zinc/74/13/77/1122741377.db2.gz QCQZNMPYOSZORU-XDHOZWIPSA-N 1 2 283.371 3.766 20 30 CHEDLO CCCCCCCOC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001193993667 1122741741 /nfs/dbraw/zinc/74/17/41/1122741741.db2.gz ACSZMXCHDBRYEA-UHFFFAOYSA-N 1 2 275.352 3.853 20 30 CHEDLO N#CCC[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000093109614 1122763162 /nfs/dbraw/zinc/76/31/62/1122763162.db2.gz ANXNVXADCXSJDF-CQSZACIVSA-N 1 2 297.427 3.766 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)c(Cl)c1 ZINC000439450633 1122781180 /nfs/dbraw/zinc/78/11/80/1122781180.db2.gz KHGQDOAXIAENMB-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)c(Cl)c1 ZINC000439450633 1122781182 /nfs/dbraw/zinc/78/11/82/1122781182.db2.gz KHGQDOAXIAENMB-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001194598952 1122785099 /nfs/dbraw/zinc/78/50/99/1122785099.db2.gz HYKZPTSAIRDUMU-OAHLLOKOSA-N 1 2 265.759 3.516 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001194598952 1122785102 /nfs/dbraw/zinc/78/51/02/1122785102.db2.gz HYKZPTSAIRDUMU-OAHLLOKOSA-N 1 2 265.759 3.516 20 30 CHEDLO CSc1cc(NC=Cc2ccc(C#N)cc2)cc[nH+]1 ZINC001203302227 1122885115 /nfs/dbraw/zinc/88/51/15/1122885115.db2.gz OZQHVBFTEHYKHW-SOFGYWHQSA-N 1 2 267.357 3.758 20 30 CHEDLO CC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](CC)CO1 ZINC001195863308 1122895293 /nfs/dbraw/zinc/89/52/93/1122895293.db2.gz RFXRQOCVIQTJRM-IRXDYDNUSA-N 1 2 291.822 3.581 20 30 CHEDLO CC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](CC)CO1 ZINC001195863308 1122895299 /nfs/dbraw/zinc/89/52/99/1122895299.db2.gz RFXRQOCVIQTJRM-IRXDYDNUSA-N 1 2 291.822 3.581 20 30 CHEDLO C=C(CC)C[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001196012836 1122902242 /nfs/dbraw/zinc/90/22/42/1122902242.db2.gz GCULXSOXMAGSRB-UHFFFAOYSA-N 1 2 297.324 3.980 20 30 CHEDLO C=C(CC)C[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001196012836 1122902246 /nfs/dbraw/zinc/90/22/46/1122902246.db2.gz GCULXSOXMAGSRB-UHFFFAOYSA-N 1 2 297.324 3.980 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342719 1122991416 /nfs/dbraw/zinc/99/14/16/1122991416.db2.gz QFVGPHUYEVUIQG-CHWSQXEVSA-N 1 2 297.377 3.747 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCCc3c4cccc(F)c4[nH]c3C2)C1 ZINC000334342719 1122991418 /nfs/dbraw/zinc/99/14/18/1122991418.db2.gz QFVGPHUYEVUIQG-CHWSQXEVSA-N 1 2 297.377 3.747 20 30 CHEDLO C=C1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000334427526 1123009950 /nfs/dbraw/zinc/00/99/50/1123009950.db2.gz XDMBVEOUKBTAPC-LLVKDONJSA-N 1 2 275.377 3.511 20 30 CHEDLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000440788336 1123040213 /nfs/dbraw/zinc/04/02/13/1123040213.db2.gz VPSGOPKMAUUVFO-ARFHVFGLSA-N 1 2 260.356 3.506 20 30 CHEDLO CC[C@H](F)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000440788336 1123040217 /nfs/dbraw/zinc/04/02/17/1123040217.db2.gz VPSGOPKMAUUVFO-ARFHVFGLSA-N 1 2 260.356 3.506 20 30 CHEDLO N#CC1(c2ccc(Nc3ccc(N)[nH+]c3)cc2)CCCC1 ZINC001201292060 1123083694 /nfs/dbraw/zinc/08/36/94/1123083694.db2.gz IOBQKORLAJPCIQ-UHFFFAOYSA-N 1 2 278.359 3.743 20 30 CHEDLO Cc1nc(C#N)ccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201488278 1123107470 /nfs/dbraw/zinc/10/74/70/1123107470.db2.gz CPFFBQJYVPQDHZ-UHFFFAOYSA-N 1 2 266.348 3.826 20 30 CHEDLO COc1ccc(C#N)cc1Nc1cccc2cc[nH+]cc21 ZINC001201584472 1123128337 /nfs/dbraw/zinc/12/83/37/1123128337.db2.gz WOPUFRMXXTUJSA-UHFFFAOYSA-N 1 2 275.311 3.859 20 30 CHEDLO CC(C)([NH2+]Cc1csc(Cl)n1)c1cccc(C#N)c1 ZINC000852353118 1123403119 /nfs/dbraw/zinc/40/31/19/1123403119.db2.gz AXSKMFDEYGDTLB-UHFFFAOYSA-N 1 2 291.807 3.693 20 30 CHEDLO C#CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000852545633 1123408161 /nfs/dbraw/zinc/40/81/61/1123408161.db2.gz PJQHGKOLNHOIIJ-HNNXBMFYSA-N 1 2 277.795 3.515 20 30 CHEDLO C#CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000852545633 1123408163 /nfs/dbraw/zinc/40/81/63/1123408163.db2.gz PJQHGKOLNHOIIJ-HNNXBMFYSA-N 1 2 277.795 3.515 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCC1(SC)CCC1 ZINC000853552021 1123443058 /nfs/dbraw/zinc/44/30/58/1123443058.db2.gz RVJZRGZWFGMTOV-UHFFFAOYSA-N 1 2 290.432 3.571 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC(F)(F)C1 ZINC000853567139 1123444277 /nfs/dbraw/zinc/44/42/77/1123444277.db2.gz UCZWTZBRZMDGOY-CYBMUJFWSA-N 1 2 294.345 3.721 20 30 CHEDLO C=CCCC(C)(C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000639335580 1123482191 /nfs/dbraw/zinc/48/21/91/1123482191.db2.gz UQYARABDPOEDLG-AWEZNQCLSA-N 1 2 276.428 3.761 20 30 CHEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)no1 ZINC000859059689 1123681105 /nfs/dbraw/zinc/68/11/05/1123681105.db2.gz ISBBJAQRTGTVID-QGZVFWFLSA-N 1 2 281.359 3.500 20 30 CHEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)no1 ZINC000859059689 1123681106 /nfs/dbraw/zinc/68/11/06/1123681106.db2.gz ISBBJAQRTGTVID-QGZVFWFLSA-N 1 2 281.359 3.500 20 30 CHEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(F)c1F ZINC000428341289 1123863016 /nfs/dbraw/zinc/86/30/16/1123863016.db2.gz NPYCSDNWRLYICK-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO CC(C)(C)c1nc(CC/[NH+]=C/c2ccccc2O)cs1 ZINC000119532705 1123877739 /nfs/dbraw/zinc/87/77/39/1123877739.db2.gz DGTGBDDPEJUNAA-LICLKQGHSA-N 1 2 288.416 3.808 20 30 CHEDLO C=CCCC[C@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301981492 1123948270 /nfs/dbraw/zinc/94/82/70/1123948270.db2.gz BCSJOUXAWRHXEJ-LBPRGKRZSA-N 1 2 287.411 3.738 20 30 CHEDLO CC1(C#N)CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000779878210 1129159423 /nfs/dbraw/zinc/15/94/23/1129159423.db2.gz BAIIOVCLFPRTAF-UHFFFAOYSA-N 1 2 287.388 3.547 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(C#N)cc1 ZINC000866241523 1124040261 /nfs/dbraw/zinc/04/02/61/1124040261.db2.gz AUAMMVQMJSKCTG-ULFGMLNVSA-N 1 2 296.345 3.681 20 30 CHEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428368622 1124041210 /nfs/dbraw/zinc/04/12/10/1124041210.db2.gz FKKJYDNGMPVCCJ-LBPRGKRZSA-N 1 2 284.334 3.596 20 30 CHEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428368622 1124041214 /nfs/dbraw/zinc/04/12/14/1124041214.db2.gz FKKJYDNGMPVCCJ-LBPRGKRZSA-N 1 2 284.334 3.596 20 30 CHEDLO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866270581 1124044565 /nfs/dbraw/zinc/04/45/65/1124044565.db2.gz ZFPWTKYJXDCDNO-IACUBPJLSA-N 1 2 290.432 3.589 20 30 CHEDLO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866270583 1124044998 /nfs/dbraw/zinc/04/49/98/1124044998.db2.gz ZFPWTKYJXDCDNO-MRVWCRGKSA-N 1 2 290.432 3.589 20 30 CHEDLO C[C@@H]([NH2+]CCCc1cccs1)c1cccc(C#N)c1O ZINC000866312717 1124051374 /nfs/dbraw/zinc/05/13/74/1124051374.db2.gz YNBWIMLZMNGRBQ-GFCCVEGCSA-N 1 2 286.400 3.609 20 30 CHEDLO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866319325 1124052209 /nfs/dbraw/zinc/05/22/09/1124052209.db2.gz IZFDPJSXFVFDNT-ZDUSSCGKSA-N 1 2 278.355 3.604 20 30 CHEDLO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866339492 1124055014 /nfs/dbraw/zinc/05/50/14/1124055014.db2.gz KSJQXUUIDWWYDO-MWLCHTKSSA-N 1 2 286.297 3.645 20 30 CHEDLO CC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)c1cccc(C#N)c1O ZINC000925158805 1124055805 /nfs/dbraw/zinc/05/58/05/1124055805.db2.gz SLYOLCRBWIKANC-NFAWXSAZSA-N 1 2 290.432 3.589 20 30 CHEDLO Cc1scc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1C ZINC000866429263 1124065509 /nfs/dbraw/zinc/06/55/09/1124065509.db2.gz JMTIFMMOJJANGP-LLVKDONJSA-N 1 2 286.400 3.793 20 30 CHEDLO C=CCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000525329239 1124122552 /nfs/dbraw/zinc/12/25/52/1124122552.db2.gz OATTZVSYPOEOKR-AWEZNQCLSA-N 1 2 286.202 3.943 20 30 CHEDLO C=CCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000525329239 1124122554 /nfs/dbraw/zinc/12/25/54/1124122554.db2.gz OATTZVSYPOEOKR-AWEZNQCLSA-N 1 2 286.202 3.943 20 30 CHEDLO Cc1cc(NCC2CCC(C#N)CC2)nc(C2CCC2)[nH+]1 ZINC001119954051 1131268628 /nfs/dbraw/zinc/26/86/28/1131268628.db2.gz HGKQOUWQLWWAAK-UHFFFAOYSA-N 1 2 284.407 3.794 20 30 CHEDLO C/C(Cl)=C\C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000528392975 1124651306 /nfs/dbraw/zinc/65/13/06/1124651306.db2.gz HMVYOHLKUBCJTO-LXUUZPSESA-N 1 2 274.795 3.901 20 30 CHEDLO C/C(Cl)=C\C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000528392975 1124651310 /nfs/dbraw/zinc/65/13/10/1124651310.db2.gz HMVYOHLKUBCJTO-LXUUZPSESA-N 1 2 274.795 3.901 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(O)c1F ZINC000872089275 1124680371 /nfs/dbraw/zinc/68/03/71/1124680371.db2.gz WELBZEQZIOQSGI-GFCCVEGCSA-N 1 2 276.355 3.656 20 30 CHEDLO Nc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)c[nH+]1 ZINC000821021576 1131315223 /nfs/dbraw/zinc/31/52/23/1131315223.db2.gz IQCDCEKZFSEADI-WEVVVXLNSA-N 1 2 274.323 3.713 20 30 CHEDLO Cc1cccn2c(/C=C3\Cc4cc(F)ccc4C3=O)c[nH+]c12 ZINC000125376446 1124887523 /nfs/dbraw/zinc/88/75/23/1124887523.db2.gz YRBKPQVFOAOHMD-UKTHLTGXSA-N 1 2 292.313 3.604 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3ccccn13)CC2 ZINC000125470751 1124894745 /nfs/dbraw/zinc/89/47/45/1124894745.db2.gz WCPUIDPNDJYZBF-PTNGSMBKSA-N 1 2 288.350 3.855 20 30 CHEDLO Cc1sc(C[N@@H+](C)[C@H](C)CC#N)cc1Br ZINC000876691063 1124970014 /nfs/dbraw/zinc/97/00/14/1124970014.db2.gz ZDSPKQCFLDEODX-MRVPVSSYSA-N 1 2 287.226 3.553 20 30 CHEDLO Cc1sc(C[N@H+](C)[C@H](C)CC#N)cc1Br ZINC000876691063 1124970019 /nfs/dbraw/zinc/97/00/19/1124970019.db2.gz ZDSPKQCFLDEODX-MRVPVSSYSA-N 1 2 287.226 3.553 20 30 CHEDLO N#CCC[N@@H+](CCc1ccc(Cl)cc1)Cc1ccccn1 ZINC000450474944 1125037434 /nfs/dbraw/zinc/03/74/34/1125037434.db2.gz UFHJHFFBIDWOAH-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO N#CCC[N@H+](CCc1ccc(Cl)cc1)Cc1ccccn1 ZINC000450474944 1125037443 /nfs/dbraw/zinc/03/74/43/1125037443.db2.gz UFHJHFFBIDWOAH-UHFFFAOYSA-N 1 2 299.805 3.693 20 30 CHEDLO C#CCCCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000877981072 1125110836 /nfs/dbraw/zinc/11/08/36/1125110836.db2.gz PINYZCWUJVZABU-HNNXBMFYSA-N 1 2 287.407 3.668 20 30 CHEDLO C#CCCCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000877981072 1125110842 /nfs/dbraw/zinc/11/08/42/1125110842.db2.gz PINYZCWUJVZABU-HNNXBMFYSA-N 1 2 287.407 3.668 20 30 CHEDLO CC[N@@H+](Cc1ccc2ccc(Cl)cc2n1)C[C@@H](C)C#N ZINC000878020739 1125113961 /nfs/dbraw/zinc/11/39/61/1125113961.db2.gz PRIXIYPSRCOCPF-LBPRGKRZSA-N 1 2 287.794 3.870 20 30 CHEDLO CC[N@H+](Cc1ccc2ccc(Cl)cc2n1)C[C@@H](C)C#N ZINC000878020739 1125113963 /nfs/dbraw/zinc/11/39/63/1125113963.db2.gz PRIXIYPSRCOCPF-LBPRGKRZSA-N 1 2 287.794 3.870 20 30 CHEDLO N#CCC[N@@H+](CC[C@H]1CCCC1(F)F)Cc1ccco1 ZINC000878159727 1125125161 /nfs/dbraw/zinc/12/51/61/1125125161.db2.gz SQEKKFPVDILNIP-CYBMUJFWSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@H+](CC[C@H]1CCCC1(F)F)Cc1ccco1 ZINC000878159727 1125125164 /nfs/dbraw/zinc/12/51/64/1125125164.db2.gz SQEKKFPVDILNIP-CYBMUJFWSA-N 1 2 282.334 3.821 20 30 CHEDLO C=CCCC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000880389092 1125271165 /nfs/dbraw/zinc/27/11/65/1125271165.db2.gz RBAVSAIPZVBBCF-OAHLLOKOSA-N 1 2 271.364 3.565 20 30 CHEDLO CC#CCC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626135539 1125298767 /nfs/dbraw/zinc/29/87/67/1125298767.db2.gz CBVITLWRHLTWPC-HNNXBMFYSA-N 1 2 265.347 3.598 20 30 CHEDLO CC#CCC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626135539 1125298771 /nfs/dbraw/zinc/29/87/71/1125298771.db2.gz CBVITLWRHLTWPC-HNNXBMFYSA-N 1 2 265.347 3.598 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000127612776 1125352771 /nfs/dbraw/zinc/35/27/71/1125352771.db2.gz UEDWAXNUFFHYNG-UHFFFAOYSA-N 1 2 257.164 3.729 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000127612776 1125352768 /nfs/dbraw/zinc/35/27/68/1125352768.db2.gz UEDWAXNUFFHYNG-UHFFFAOYSA-N 1 2 257.164 3.729 20 30 CHEDLO N#CC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000123781904 1125432450 /nfs/dbraw/zinc/43/24/50/1125432450.db2.gz UWYRGLLDJLBUPX-UHFFFAOYSA-N 1 2 286.272 3.580 20 30 CHEDLO Cc1ccc2c(Nc3cc(C#N)c(C#N)cc3N)cccc2[nH+]1 ZINC001212797773 1125444287 /nfs/dbraw/zinc/44/42/87/1125444287.db2.gz JFXVLNUCZYODJS-UHFFFAOYSA-N 1 2 299.337 3.612 20 30 CHEDLO C=CCCC[C@H](C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000638837807 1129272016 /nfs/dbraw/zinc/27/20/16/1129272016.db2.gz XPXQCXXRQBHKCM-DZGCQCFKSA-N 1 2 276.428 3.761 20 30 CHEDLO Fc1cccc(Cl)c1C[NH2+]CC#Cc1ccccc1 ZINC000736355146 1129373259 /nfs/dbraw/zinc/37/32/59/1129373259.db2.gz DZOYIPFZHHKQIY-UHFFFAOYSA-N 1 2 273.738 3.620 20 30 CHEDLO N#CC1(c2cc[nH+]c(NCCC3=CCCCC3)c2)CC1 ZINC001168770661 1129374434 /nfs/dbraw/zinc/37/44/34/1129374434.db2.gz GDMNJBAYSXAMJG-UHFFFAOYSA-N 1 2 267.376 3.939 20 30 CHEDLO C[C@H](C/[NH+]=C/c1ccccc1O)Cc1cccs1 ZINC000741465277 1129436821 /nfs/dbraw/zinc/43/68/21/1129436821.db2.gz TVLAAKBFKKCWBO-JASJWYONSA-N 1 2 259.374 3.751 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000645257810 1129493668 /nfs/dbraw/zinc/49/36/68/1129493668.db2.gz HOCHTTXHJBXXPS-BBRMVZONSA-N 1 2 277.795 3.515 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000645257810 1129493671 /nfs/dbraw/zinc/49/36/71/1129493671.db2.gz HOCHTTXHJBXXPS-BBRMVZONSA-N 1 2 277.795 3.515 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]/CC(C2CC2)C2CC2)c1 ZINC000743044141 1129511762 /nfs/dbraw/zinc/51/17/62/1129511762.db2.gz FVWVNHQLBWODHW-VCHYOVAHSA-N 1 2 273.376 3.646 20 30 CHEDLO Cc1ccsc1C[N@H+](CCC#N)Cc1ccccc1 ZINC001204018720 1129683185 /nfs/dbraw/zinc/68/31/85/1129683185.db2.gz BSKZWRNISJBJCV-UHFFFAOYSA-N 1 2 270.401 3.972 20 30 CHEDLO Cc1ccsc1C[N@@H+](CCC#N)Cc1ccccc1 ZINC001204018720 1129683187 /nfs/dbraw/zinc/68/31/87/1129683187.db2.gz BSKZWRNISJBJCV-UHFFFAOYSA-N 1 2 270.401 3.972 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCc2ccccc2[C@@H]1O ZINC001169615318 1129743612 /nfs/dbraw/zinc/74/36/12/1129743612.db2.gz AIPWLNNPEGLOEU-MSOLQXFVSA-N 1 2 294.398 3.579 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000768153553 1129836573 /nfs/dbraw/zinc/83/65/73/1129836573.db2.gz HPVROSJDHUGOFZ-ZFWWWQNUSA-N 1 2 260.381 3.775 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000768153553 1129836578 /nfs/dbraw/zinc/83/65/78/1129836578.db2.gz HPVROSJDHUGOFZ-ZFWWWQNUSA-N 1 2 260.381 3.775 20 30 CHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000119190100 1129847517 /nfs/dbraw/zinc/84/75/17/1129847517.db2.gz MWPMEIVSNYQAQX-UHFFFAOYSA-N 1 2 280.799 3.807 20 30 CHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000119190100 1129847520 /nfs/dbraw/zinc/84/75/20/1129847520.db2.gz MWPMEIVSNYQAQX-UHFFFAOYSA-N 1 2 280.799 3.807 20 30 CHEDLO Cc1[nH+]c(C(C)N=Nc2ccccc2C(F)(F)F)cn1C ZINC000800805070 1129889525 /nfs/dbraw/zinc/88/95/25/1129889525.db2.gz IRKMMKMIVQNZRY-UHFFFAOYSA-N 1 2 296.296 3.583 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137715832 1131406162 /nfs/dbraw/zinc/40/61/62/1131406162.db2.gz HZNITXAXCXAUCK-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137715832 1131406165 /nfs/dbraw/zinc/40/61/65/1131406165.db2.gz HZNITXAXCXAUCK-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1N1CCCCC1)C1CC1 ZINC000769545243 1129917155 /nfs/dbraw/zinc/91/71/55/1129917155.db2.gz MWKLTZXPWLJUQT-MRXNPFEDSA-N 1 2 297.446 3.801 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1N1CCCCC1)C1CC1 ZINC000769545243 1129917157 /nfs/dbraw/zinc/91/71/57/1129917157.db2.gz MWKLTZXPWLJUQT-MRXNPFEDSA-N 1 2 297.446 3.801 20 30 CHEDLO COc1cc(C)ccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000769607078 1129919090 /nfs/dbraw/zinc/91/90/90/1129919090.db2.gz HVELKSPSIDVBSI-CLFYSBASSA-N 1 2 292.338 3.547 20 30 CHEDLO Cc1ccc(F)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000769614105 1129919818 /nfs/dbraw/zinc/91/98/18/1129919818.db2.gz HFQVMOHMSZPXCQ-SOFGYWHQSA-N 1 2 280.302 3.678 20 30 CHEDLO Cc1ccoc1C(=O)/C=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000769783915 1129925101 /nfs/dbraw/zinc/92/51/01/1129925101.db2.gz JOPNCDNQCIQQIC-ONEGZZNKSA-N 1 2 286.718 3.785 20 30 CHEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)s1 ZINC000901443250 1129925852 /nfs/dbraw/zinc/92/58/52/1129925852.db2.gz NGTWEPBMNHLRRD-ALCCZGGFSA-N 1 2 274.389 3.984 20 30 CHEDLO C=C(Br)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000769846549 1129928689 /nfs/dbraw/zinc/92/86/89/1129928689.db2.gz NWTNGCJMKNZMTR-UHFFFAOYSA-N 1 2 268.198 3.644 20 30 CHEDLO C=C(Br)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000769846549 1129928692 /nfs/dbraw/zinc/92/86/92/1129928692.db2.gz NWTNGCJMKNZMTR-UHFFFAOYSA-N 1 2 268.198 3.644 20 30 CHEDLO Cc1[nH]c(/C=C2\COc3ccc(C(C)C)cc3C2=O)[nH+]c1C ZINC000901465610 1129927750 /nfs/dbraw/zinc/92/77/50/1129927750.db2.gz VBTBMGIWOGGRKA-RIYZIHGNSA-N 1 2 296.370 3.809 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccsc2S[C@H]1C ZINC000901478632 1129928784 /nfs/dbraw/zinc/92/87/84/1129928784.db2.gz XEVRSWLYMKZGPG-TXEUWIOXSA-N 1 2 290.413 3.725 20 30 CHEDLO Cc1[nH]c(/C=C2/COc3c(cccc3C(C)C)C2=O)[nH+]c1C ZINC000901486341 1129929431 /nfs/dbraw/zinc/92/94/31/1129929431.db2.gz CRIHHGPAMIUEST-JYRVWZFOSA-N 1 2 296.370 3.809 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C[C@H](C)c2ccccc2C1=O ZINC000901486665 1129929724 /nfs/dbraw/zinc/92/97/24/1129929724.db2.gz PBFVDUQETNJYAW-VWLVURMCSA-N 1 2 266.344 3.677 20 30 CHEDLO Cc1[nH]c(/C=C2/C(=O)c3cccc(C)c3[C@H]2C)[nH+]c1C ZINC000901490337 1129930034 /nfs/dbraw/zinc/93/00/34/1129930034.db2.gz VBOJZVJETVMQTF-CEITULEQSA-N 1 2 266.344 3.718 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3\CCCC(C)(C)C3=O)n2c1 ZINC000771858770 1129994196 /nfs/dbraw/zinc/99/41/96/1129994196.db2.gz LCYYQEKIHLKCIK-UKTHLTGXSA-N 1 2 268.360 3.805 20 30 CHEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1cc(C#N)ccn1 ZINC000902757145 1130053621 /nfs/dbraw/zinc/05/36/21/1130053621.db2.gz OYANQNRHCSYBTH-GHMZBOCLSA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1Br ZINC000903102348 1130112080 /nfs/dbraw/zinc/11/20/80/1130112080.db2.gz WPBFVXWHZMJVPL-SECBINFHSA-N 1 2 297.171 3.543 20 30 CHEDLO C=C(Br)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000746650280 1130137672 /nfs/dbraw/zinc/13/76/72/1130137672.db2.gz BHDFGOLEPCDDQG-UHFFFAOYSA-N 1 2 280.209 3.868 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1ccccc1C)C1CC1 ZINC000746650280 1130137669 /nfs/dbraw/zinc/13/76/69/1130137669.db2.gz BHDFGOLEPCDDQG-UHFFFAOYSA-N 1 2 280.209 3.868 20 30 CHEDLO C[C@H](Nc1cccc(C2CC2)[nH+]1)c1cccc(C#N)c1O ZINC000903268381 1130140484 /nfs/dbraw/zinc/14/04/84/1130140484.db2.gz QTYAPJISAPMWDL-NSHDSACASA-N 1 2 279.343 3.709 20 30 CHEDLO CC(C)c1nc(C(=O)/C=C\c2c[nH+]c3ccccn23)cs1 ZINC000787479430 1130153245 /nfs/dbraw/zinc/15/32/45/1130153245.db2.gz HAUXJCZLCZLLBH-SREVYHEPSA-N 1 2 297.383 3.810 20 30 CHEDLO N#Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1F ZINC001240154732 1130227100 /nfs/dbraw/zinc/22/71/00/1130227100.db2.gz GEKDGQKLBPHYSS-UHFFFAOYSA-N 1 2 277.302 3.609 20 30 CHEDLO CCS[C@@H]1CCC[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000749007894 1130257574 /nfs/dbraw/zinc/25/75/74/1130257574.db2.gz NTAOGBVMDBFOOT-FWUQKTEZSA-N 1 2 263.406 3.875 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(F)c(F)c3)n21 ZINC000748997197 1130259256 /nfs/dbraw/zinc/25/92/56/1130259256.db2.gz AVAKJWKJFYOWHE-SOFGYWHQSA-N 1 2 298.292 3.817 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\C[C@H]1CCSC1 ZINC000790598236 1130321272 /nfs/dbraw/zinc/32/12/72/1130321272.db2.gz KPQOQTKGVHOGMF-HJPCULJESA-N 1 2 271.385 3.717 20 30 CHEDLO C=CCOCc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240513379 1130337851 /nfs/dbraw/zinc/33/78/51/1130337851.db2.gz OOCRGMSIOKPILJ-UHFFFAOYSA-N 1 2 264.328 3.704 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791450635 1130375642 /nfs/dbraw/zinc/37/56/42/1130375642.db2.gz YYTFIMHHABVUQR-HNNXBMFYSA-N 1 2 298.386 3.826 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(C#N)s1 ZINC001170199253 1130462603 /nfs/dbraw/zinc/46/26/03/1130462603.db2.gz MMWHQYKFTIPQSV-UHFFFAOYSA-N 1 2 269.373 3.664 20 30 CHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc(F)c1 ZINC000792629750 1130481054 /nfs/dbraw/zinc/48/10/54/1130481054.db2.gz OXERMZJGBPWMJW-UHFFFAOYSA-N 1 2 283.350 3.629 20 30 CHEDLO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001170288819 1130481064 /nfs/dbraw/zinc/48/10/64/1130481064.db2.gz XIEPTQFLXJKMDD-STQMWFEESA-N 1 2 262.784 3.507 20 30 CHEDLO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H](C#N)C1 ZINC001170288819 1130481066 /nfs/dbraw/zinc/48/10/66/1130481066.db2.gz XIEPTQFLXJKMDD-STQMWFEESA-N 1 2 262.784 3.507 20 30 CHEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365376 1130485872 /nfs/dbraw/zinc/48/58/72/1130485872.db2.gz XPSVDXPPMLPIGS-XBMUEBEBSA-N 1 2 295.430 3.918 20 30 CHEDLO Cc1ccc(F)c(N=NC(C)C[NH+]2Cc3ccccc3C2)c1 ZINC000792635290 1130487098 /nfs/dbraw/zinc/48/70/98/1130487098.db2.gz QFDGIQPOEXBGQC-UHFFFAOYSA-N 1 2 297.377 3.938 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792776215 1130498136 /nfs/dbraw/zinc/49/81/36/1130498136.db2.gz FDBDYCQGKPTUHS-UHFFFAOYSA-N 1 2 299.340 3.507 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792776215 1130498147 /nfs/dbraw/zinc/49/81/47/1130498147.db2.gz FDBDYCQGKPTUHS-UHFFFAOYSA-N 1 2 299.340 3.507 20 30 CHEDLO CCc1cccc(F)c1C[N@H+](CCC#N)CC(C)C ZINC000792766664 1130498444 /nfs/dbraw/zinc/49/84/44/1130498444.db2.gz NBQSHZIHVJKUNX-UHFFFAOYSA-N 1 2 262.372 3.760 20 30 CHEDLO CCc1cccc(F)c1C[N@@H+](CCC#N)CC(C)C ZINC000792766664 1130498449 /nfs/dbraw/zinc/49/84/49/1130498449.db2.gz NBQSHZIHVJKUNX-UHFFFAOYSA-N 1 2 262.372 3.760 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccccc1OC)c1ccc(Cl)cc1 ZINC000811517339 1130614996 /nfs/dbraw/zinc/61/49/96/1130614996.db2.gz OVXRGRADIVEVCN-MRXNPFEDSA-N 1 2 285.774 3.813 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccc(CC)o1)c1ccc(Cl)cc1 ZINC000811517453 1130616041 /nfs/dbraw/zinc/61/60/41/1130616041.db2.gz SWGNYZMLIOWQDS-MRXNPFEDSA-N 1 2 273.763 3.960 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235124258 1130713508 /nfs/dbraw/zinc/71/35/08/1130713508.db2.gz CSBKOOBHDVOPJJ-SFHVURJKSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235124258 1130713513 /nfs/dbraw/zinc/71/35/13/1130713513.db2.gz CSBKOOBHDVOPJJ-SFHVURJKSA-N 1 2 293.370 3.609 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(C)nc(Cl)c1)c1ccc(F)cc1 ZINC000812793186 1130717767 /nfs/dbraw/zinc/71/77/67/1130717767.db2.gz OAEIOIQLFVWLRH-HNNXBMFYSA-N 1 2 288.753 3.647 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782193137 1130761160 /nfs/dbraw/zinc/76/11/60/1130761160.db2.gz JBWPBTBPJZAKKH-JKSUJKDBSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000782193137 1130761165 /nfs/dbraw/zinc/76/11/65/1130761165.db2.gz JBWPBTBPJZAKKH-JKSUJKDBSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2c(F)cc(C#N)cc2F)Cc2ccccc21 ZINC001235651267 1130762600 /nfs/dbraw/zinc/76/26/00/1130762600.db2.gz LINLTJDBNJFBAP-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2c(F)cc(C#N)cc2F)Cc2ccccc21 ZINC001235651267 1130762603 /nfs/dbraw/zinc/76/26/03/1130762603.db2.gz LINLTJDBNJFBAP-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO CC1(C)CCC[C@H]1N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000782287452 1130769191 /nfs/dbraw/zinc/76/91/91/1130769191.db2.gz LJMSLGQGRJEVCA-OAHLLOKOSA-N 1 2 289.423 3.772 20 30 CHEDLO Cc1cc(C)cc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783810103 1130856710 /nfs/dbraw/zinc/85/67/10/1130856710.db2.gz ITGGAGNCCMAXQI-UHFFFAOYSA-N 1 2 296.399 3.997 20 30 CHEDLO CC(=[NH+]Nc1cccc(C(F)(F)F)c1)c1ccc(N)nc1 ZINC000814690120 1130900883 /nfs/dbraw/zinc/90/08/83/1130900883.db2.gz UWOFADWTIRYMBR-UHFFFAOYSA-N 1 2 294.280 3.519 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080349 1131046860 /nfs/dbraw/zinc/04/68/60/1131046860.db2.gz APBUVNFKFVCKBO-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080349 1131046867 /nfs/dbraw/zinc/04/68/67/1131046867.db2.gz APBUVNFKFVCKBO-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC001237357335 1131090728 /nfs/dbraw/zinc/09/07/28/1131090728.db2.gz QQJZXSAPOAPZIC-UHFFFAOYSA-N 1 2 286.297 3.553 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC001237357335 1131090732 /nfs/dbraw/zinc/09/07/32/1131090732.db2.gz QQJZXSAPOAPZIC-UHFFFAOYSA-N 1 2 286.297 3.553 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)ccn1 ZINC001237462343 1131100629 /nfs/dbraw/zinc/10/06/29/1131100629.db2.gz HFWJYHDBTVIDQB-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)ccn1 ZINC001237462343 1131100636 /nfs/dbraw/zinc/10/06/36/1131100636.db2.gz HFWJYHDBTVIDQB-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C#CC[N@@H+](C)Cc1sc2ccccc2c1Br ZINC001237587062 1131117827 /nfs/dbraw/zinc/11/78/27/1131117827.db2.gz ZIAOFWLUGKFIHK-UHFFFAOYSA-N 1 2 294.217 3.729 20 30 CHEDLO C#CC[N@H+](C)Cc1sc2ccccc2c1Br ZINC001237587062 1131117830 /nfs/dbraw/zinc/11/78/30/1131117830.db2.gz ZIAOFWLUGKFIHK-UHFFFAOYSA-N 1 2 294.217 3.729 20 30 CHEDLO C[N@@H+]1CCCc2cc(NCc3ccc(C#N)c(F)c3)ccc21 ZINC000817409856 1131160097 /nfs/dbraw/zinc/16/00/97/1131160097.db2.gz FWNGKYWOPGCNAQ-UHFFFAOYSA-N 1 2 295.361 3.692 20 30 CHEDLO C[N@H+]1CCCc2cc(NCc3ccc(C#N)c(F)c3)ccc21 ZINC000817409856 1131160100 /nfs/dbraw/zinc/16/01/00/1131160100.db2.gz FWNGKYWOPGCNAQ-UHFFFAOYSA-N 1 2 295.361 3.692 20 30 CHEDLO C=C[C@@H]1OCC[C@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000818991861 1131223904 /nfs/dbraw/zinc/22/39/04/1131223904.db2.gz KOKUSTGVCPXCQP-FJLNVPPCSA-N 1 2 281.355 3.555 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(Cl)c1F ZINC001143626358 1131521008 /nfs/dbraw/zinc/52/10/08/1131521008.db2.gz RYLYXZJFUDDYEW-UHFFFAOYSA-N 1 2 257.711 3.792 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441405 1131564750 /nfs/dbraw/zinc/56/47/50/1131564750.db2.gz MRZCPIJQWUPDAA-CQSZACIVSA-N 1 2 296.748 3.833 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441405 1131564754 /nfs/dbraw/zinc/56/47/54/1131564754.db2.gz MRZCPIJQWUPDAA-CQSZACIVSA-N 1 2 296.748 3.833 20 30 CHEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001144085714 1131579314 /nfs/dbraw/zinc/57/93/14/1131579314.db2.gz CBIMJKJDUAZARH-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001144085714 1131579316 /nfs/dbraw/zinc/57/93/16/1131579316.db2.gz CBIMJKJDUAZARH-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)cn1 ZINC001140544583 1131786743 /nfs/dbraw/zinc/78/67/43/1131786743.db2.gz UTEJOYDRLHPZEJ-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)cn1 ZINC001140544583 1131786750 /nfs/dbraw/zinc/78/67/50/1131786750.db2.gz UTEJOYDRLHPZEJ-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cccc1CC#N ZINC001171370415 1131919472 /nfs/dbraw/zinc/91/94/72/1131919472.db2.gz UWDXOUFZROXBII-AWEZNQCLSA-N 1 2 293.370 3.886 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941910 1131968515 /nfs/dbraw/zinc/96/85/15/1131968515.db2.gz ZGCZMCNWXRMFPU-KRWDZBQOSA-N 1 2 299.805 3.866 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941910 1131968522 /nfs/dbraw/zinc/96/85/22/1131968522.db2.gz ZGCZMCNWXRMFPU-KRWDZBQOSA-N 1 2 299.805 3.866 20 30 CHEDLO C=CCCCCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000836457520 1131971170 /nfs/dbraw/zinc/97/11/70/1131971170.db2.gz UKFQIQWMRWDFKE-UHFFFAOYSA-N 1 2 289.423 3.634 20 30 CHEDLO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001140964111 1131975918 /nfs/dbraw/zinc/97/59/18/1131975918.db2.gz QPNLXDLJDNQHNL-GFCCVEGCSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001140964111 1131975924 /nfs/dbraw/zinc/97/59/24/1131975924.db2.gz QPNLXDLJDNQHNL-GFCCVEGCSA-N 1 2 298.308 3.629 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccn2)s1 ZINC001141001086 1131981313 /nfs/dbraw/zinc/98/13/13/1131981313.db2.gz WLPGREBGVQZCGR-UHFFFAOYSA-N 1 2 271.389 3.546 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)s1 ZINC001141001086 1131981320 /nfs/dbraw/zinc/98/13/20/1131981320.db2.gz WLPGREBGVQZCGR-UHFFFAOYSA-N 1 2 271.389 3.546 20 30 CHEDLO Cc1ncc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001203111274 1132145237 /nfs/dbraw/zinc/14/52/37/1132145237.db2.gz BGWHDYLSVUIRIT-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1ncc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001203111274 1132145240 /nfs/dbraw/zinc/14/52/40/1132145240.db2.gz BGWHDYLSVUIRIT-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001172316382 1132157070 /nfs/dbraw/zinc/15/70/70/1132157070.db2.gz NPHOGOHKCAQSTQ-GFCCVEGCSA-N 1 2 297.789 3.553 20 30 CHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001172316382 1132157075 /nfs/dbraw/zinc/15/70/75/1132157075.db2.gz NPHOGOHKCAQSTQ-GFCCVEGCSA-N 1 2 297.789 3.553 20 30 CHEDLO CCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OCC)CC1 ZINC001172347107 1132180489 /nfs/dbraw/zinc/18/04/89/1132180489.db2.gz RFIWVYIIOKCUQF-CQSZACIVSA-N 1 2 269.429 3.811 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141734854 1132243793 /nfs/dbraw/zinc/24/37/93/1132243793.db2.gz LQGHBZKLDDWUIF-UHFFFAOYSA-N 1 2 262.356 3.603 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141734854 1132243798 /nfs/dbraw/zinc/24/37/98/1132243798.db2.gz LQGHBZKLDDWUIF-UHFFFAOYSA-N 1 2 262.356 3.603 20 30 CHEDLO CCCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OC)CC1 ZINC001172505350 1132254466 /nfs/dbraw/zinc/25/44/66/1132254466.db2.gz LTLNOZKBMCQCHA-CQSZACIVSA-N 1 2 269.429 3.811 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172558709 1132266629 /nfs/dbraw/zinc/26/66/29/1132266629.db2.gz ZBFAJPXGXCVOBD-HZPDHXFCSA-N 1 2 256.393 3.995 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccccc1C#Cc1ccccc1 ZINC001231578436 1132316815 /nfs/dbraw/zinc/31/68/15/1132316815.db2.gz NXVZOKYFLNXPLP-UHFFFAOYSA-N 1 2 288.394 3.822 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccccc1C#Cc1ccccc1 ZINC001231578436 1132316823 /nfs/dbraw/zinc/31/68/23/1132316823.db2.gz NXVZOKYFLNXPLP-UHFFFAOYSA-N 1 2 288.394 3.822 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142114253 1132328613 /nfs/dbraw/zinc/32/86/13/1132328613.db2.gz CYWYTYYPQUEYCT-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142114253 1132328617 /nfs/dbraw/zinc/32/86/17/1132328617.db2.gz CYWYTYYPQUEYCT-JTQLQIEISA-N 1 2 299.201 3.825 20 30 CHEDLO C#Cc1cccc(C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC001231661426 1132339965 /nfs/dbraw/zinc/33/99/65/1132339965.db2.gz TWHFDZBOLQWTFW-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C#Cc1cccc(C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC001231661426 1132339969 /nfs/dbraw/zinc/33/99/69/1132339969.db2.gz TWHFDZBOLQWTFW-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC001231914219 1132399878 /nfs/dbraw/zinc/39/98/78/1132399878.db2.gz IPHGDBDDONYZAW-UHFFFAOYSA-N 1 2 253.773 3.834 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1cccc(Cl)c1O ZINC001231914219 1132399885 /nfs/dbraw/zinc/39/98/85/1132399885.db2.gz IPHGDBDDONYZAW-UHFFFAOYSA-N 1 2 253.773 3.834 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)o1 ZINC001232445564 1132472157 /nfs/dbraw/zinc/47/21/57/1132472157.db2.gz RKVUPNZDSILBPE-RTCCRHLQSA-N 1 2 284.281 3.565 20 30 CHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)o1 ZINC001232445564 1132472162 /nfs/dbraw/zinc/47/21/62/1132472162.db2.gz RKVUPNZDSILBPE-RTCCRHLQSA-N 1 2 284.281 3.565 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccc1O ZINC001232679272 1132506774 /nfs/dbraw/zinc/50/67/74/1132506774.db2.gz IFTTWGFAGDKSNJ-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccc1O ZINC001232679272 1132506777 /nfs/dbraw/zinc/50/67/77/1132506777.db2.gz IFTTWGFAGDKSNJ-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232886718 1132538284 /nfs/dbraw/zinc/53/82/84/1132538284.db2.gz CAPKDRNZUKTNHX-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232886718 1132538291 /nfs/dbraw/zinc/53/82/91/1132538291.db2.gz CAPKDRNZUKTNHX-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cncc(-c2ccccc2)c1 ZINC001232900587 1132541016 /nfs/dbraw/zinc/54/10/16/1132541016.db2.gz DQKMLPSTODMRFM-UHFFFAOYSA-N 1 2 279.387 3.874 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cncc(-c2ccccc2)c1 ZINC001232900587 1132541021 /nfs/dbraw/zinc/54/10/21/1132541021.db2.gz DQKMLPSTODMRFM-UHFFFAOYSA-N 1 2 279.387 3.874 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cccc(O)c1F ZINC001233058430 1132570815 /nfs/dbraw/zinc/57/08/15/1132570815.db2.gz YCECEJAGZVWKEQ-UHFFFAOYSA-N 1 2 271.335 3.720 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(O)c1F ZINC001233058430 1132570820 /nfs/dbraw/zinc/57/08/20/1132570820.db2.gz YCECEJAGZVWKEQ-UHFFFAOYSA-N 1 2 271.335 3.720 20 30 CHEDLO N#CCc1cc[nH+]c(N[C@@H](c2ccccc2)C2CC2)c1 ZINC001154644665 1132619773 /nfs/dbraw/zinc/61/97/73/1132619773.db2.gz HVMJZMIEUJRWLM-KRWDZBQOSA-N 1 2 263.344 3.711 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CCCC[C@H]3F)c2c1 ZINC001155059531 1132638048 /nfs/dbraw/zinc/63/80/48/1132638048.db2.gz KSGOVPDIFZHRIX-HUUCEWRRSA-N 1 2 269.323 3.799 20 30 CHEDLO Cc1ccc(Cl)c(CNc2cc(CC#N)cc[nH+]2)c1F ZINC001155832902 1132666010 /nfs/dbraw/zinc/66/60/10/1132666010.db2.gz MQGYHTRDMYRUET-UHFFFAOYSA-N 1 2 289.741 3.861 20 30 CHEDLO CSc1cc[nH+]c(NC23CCC(C#N)(CC2)CC3)c1 ZINC001158788766 1132793591 /nfs/dbraw/zinc/79/35/91/1132793591.db2.gz MPLHGLWNQUVPAP-UHFFFAOYSA-N 1 2 273.405 3.832 20 30 CHEDLO Cc1nc(NCc2ccc(C#N)c(F)c2)cc(C(C)C)[nH+]1 ZINC001159082424 1132804530 /nfs/dbraw/zinc/80/45/30/1132804530.db2.gz DTVONGZOYZSVDD-UHFFFAOYSA-N 1 2 284.338 3.531 20 30 CHEDLO C=CCCCNc1[nH+]c2ccc(OC)cc2cc1C ZINC001159258115 1132819380 /nfs/dbraw/zinc/81/93/80/1132819380.db2.gz ONHPZDWZRDMYCC-UHFFFAOYSA-N 1 2 256.349 3.930 20 30 CHEDLO Cc1cnc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c(C#N)c1 ZINC001174382200 1132830004 /nfs/dbraw/zinc/83/00/04/1132830004.db2.gz DLTVSAZDEHNRFN-UHFFFAOYSA-N 1 2 291.358 3.936 20 30 CHEDLO Cc1ccnc(C#N)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382161 1132830058 /nfs/dbraw/zinc/83/00/58/1132830058.db2.gz BQFLMISBQSXUOH-UHFFFAOYSA-N 1 2 291.358 3.936 20 30 CHEDLO Cc1cc(NCC#Cc2ccccc2)nc(C(C)(C)C)[nH+]1 ZINC001159376299 1132835271 /nfs/dbraw/zinc/83/52/71/1132835271.db2.gz XVOVSYRXRKETSL-UHFFFAOYSA-N 1 2 279.387 3.546 20 30 CHEDLO C[C@@H](C#N)c1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174412307 1132850996 /nfs/dbraw/zinc/85/09/96/1132850996.db2.gz QJOFNMPGVINTJF-NSHDSACASA-N 1 2 262.316 3.885 20 30 CHEDLO Cc1cc(C#N)c(F)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213033570 1133007160 /nfs/dbraw/zinc/00/71/60/1133007160.db2.gz NAPYAALNZPRCDE-UHFFFAOYSA-N 1 2 266.279 3.626 20 30 CHEDLO Cc1cc(F)c(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001162074383 1133050779 /nfs/dbraw/zinc/05/07/79/1133050779.db2.gz YBDFJQZDEMLIQJ-UHFFFAOYSA-N 1 2 296.349 3.745 20 30 CHEDLO C#CC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCCCC1 ZINC001162479389 1133080801 /nfs/dbraw/zinc/08/08/01/1133080801.db2.gz BXCPCYGOLIOLTE-UHFFFAOYSA-N 1 2 257.381 3.656 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NC2=CC(=O)CCC2)c1 ZINC001163468629 1133152311 /nfs/dbraw/zinc/15/23/11/1133152311.db2.gz SWMZPHXUNHUVQE-UHFFFAOYSA-N 1 2 272.392 3.890 20 30 CHEDLO Cc1cc(N(C)Cc2cc(C#N)cs2)nc(C2CCC2)[nH+]1 ZINC001164249720 1133209741 /nfs/dbraw/zinc/20/97/41/1133209741.db2.gz PSWNQDLXFMQXBK-UHFFFAOYSA-N 1 2 298.415 3.622 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(C#N)c(F)c2)c(C)[nH+]1 ZINC001203381446 1133225264 /nfs/dbraw/zinc/22/52/64/1133225264.db2.gz YCVVKWDMPIVOMU-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CCC34CCCC4)c2c1 ZINC001165278132 1133235388 /nfs/dbraw/zinc/23/53/88/1133235388.db2.gz XHBDHEJAEYPVLK-UHFFFAOYSA-N 1 2 263.344 3.629 20 30 CHEDLO N#CCc1ccc[nH+]c1NC1CCC(C(F)(F)F)CC1 ZINC001165591677 1133246626 /nfs/dbraw/zinc/24/66/26/1133246626.db2.gz JSLJRJQIANJAHA-UHFFFAOYSA-N 1 2 283.297 3.681 20 30 CHEDLO N#Cc1ccc2cc[nH+]c(N3CCc4ccsc4C3)c2c1 ZINC001166683215 1133281912 /nfs/dbraw/zinc/28/19/12/1133281912.db2.gz XEBDEAUNAGRPRH-UHFFFAOYSA-N 1 2 291.379 3.731 20 30 CHEDLO Cc1ccc(Nc2cc(C#N)cn2C(C)(C)C)c(C)[nH+]1 ZINC001203366757 1133318424 /nfs/dbraw/zinc/31/84/24/1133318424.db2.gz CZIWFMVRJPPELC-UHFFFAOYSA-N 1 2 268.364 3.870 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(Cl)c(C#N)c2)c1 ZINC001203663075 1133348793 /nfs/dbraw/zinc/34/87/93/1133348793.db2.gz HSOVFZYFJMMOES-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2nc(Cl)cc(C)c2C#N)c1 ZINC001203660793 1133349316 /nfs/dbraw/zinc/34/93/16/1133349316.db2.gz MRSZIAMNLJWLHU-UHFFFAOYSA-N 1 2 272.739 3.671 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(F)c(C#N)c2F)c1 ZINC001203663471 1133352010 /nfs/dbraw/zinc/35/20/10/1133352010.db2.gz LDVLQHFRAXEJPW-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001203717630 1133358529 /nfs/dbraw/zinc/35/85/29/1133358529.db2.gz IIZUZTOTFDYBLQ-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO CCCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001203970642 1133391277 /nfs/dbraw/zinc/39/12/77/1133391277.db2.gz QDJMAOBQDCFZDE-MRXNPFEDSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001203970642 1133391282 /nfs/dbraw/zinc/39/12/82/1133391282.db2.gz QDJMAOBQDCFZDE-MRXNPFEDSA-N 1 2 272.392 3.601 20 30 CHEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)c2ccccc2)cc1 ZINC001204303652 1133433059 /nfs/dbraw/zinc/43/30/59/1133433059.db2.gz PAKGEZGYXRRDIO-UHFFFAOYSA-N 1 2 295.382 3.566 20 30 CHEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)c2ccccc2)cc1 ZINC001204303652 1133433062 /nfs/dbraw/zinc/43/30/62/1133433062.db2.gz PAKGEZGYXRRDIO-UHFFFAOYSA-N 1 2 295.382 3.566 20 30 CHEDLO CC[N@H+](Cc1ccccc1F)Cc1ccccc1C#N ZINC001204372567 1133441149 /nfs/dbraw/zinc/44/11/49/1133441149.db2.gz HAAXWHKTQBPXOI-UHFFFAOYSA-N 1 2 268.335 3.719 20 30 CHEDLO CC[N@@H+](Cc1ccccc1F)Cc1ccccc1C#N ZINC001204372567 1133441151 /nfs/dbraw/zinc/44/11/51/1133441151.db2.gz HAAXWHKTQBPXOI-UHFFFAOYSA-N 1 2 268.335 3.719 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC)cc1F ZINC001204495834 1133454075 /nfs/dbraw/zinc/45/40/75/1133454075.db2.gz BCNJYSHXAAFGHO-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)cc1F ZINC001204495834 1133454077 /nfs/dbraw/zinc/45/40/77/1133454077.db2.gz BCNJYSHXAAFGHO-UHFFFAOYSA-N 1 2 292.398 3.986 20 30 CHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001204647715 1133471261 /nfs/dbraw/zinc/47/12/61/1133471261.db2.gz BNACJUMHAKHTIB-DZGCQCFKSA-N 1 2 298.390 3.591 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001204739084 1133480347 /nfs/dbraw/zinc/48/03/47/1133480347.db2.gz PUWZBELLKRHEIM-LBPRGKRZSA-N 1 2 286.762 3.945 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001204739084 1133480351 /nfs/dbraw/zinc/48/03/51/1133480351.db2.gz PUWZBELLKRHEIM-LBPRGKRZSA-N 1 2 286.762 3.945 20 30 CHEDLO N#Cc1cccc(Cl)c1Nc1ccn2cc[nH+]c2c1 ZINC001204982859 1133512816 /nfs/dbraw/zinc/51/28/16/1133512816.db2.gz KKIAPQSZGLWZTF-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO CC1=CC[C@H](CC[N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273272 1133785301 /nfs/dbraw/zinc/78/53/01/1133785301.db2.gz WWWWLDBWRQOIPL-HUUCEWRRSA-N 1 2 291.460 3.643 20 30 CHEDLO CC1=CC[C@H](CC[N@H+]2CC[C@H]3SC(=O)C=C3C2)C1(C)C ZINC001207273272 1133785304 /nfs/dbraw/zinc/78/53/04/1133785304.db2.gz WWWWLDBWRQOIPL-HUUCEWRRSA-N 1 2 291.460 3.643 20 30 CHEDLO CCc1ccc(C)[nH+]c1Nc1ccc(C#N)cc1OC ZINC001209233745 1133993330 /nfs/dbraw/zinc/99/33/30/1133993330.db2.gz FFAJOUBWFINMAI-UHFFFAOYSA-N 1 2 267.332 3.576 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2cn3c(cccc3Cl)[nH+]2)C1 ZINC001210150858 1134156824 /nfs/dbraw/zinc/15/68/24/1134156824.db2.gz PGRDUWGHELBXKW-UHFFFAOYSA-N 1 2 289.766 3.673 20 30 CHEDLO Cc1[nH+]cc(Nc2ccc(C#N)cc2C(F)(F)F)cc1N ZINC001210288920 1134187101 /nfs/dbraw/zinc/18/71/01/1134187101.db2.gz YRIYJXUQZSKEJK-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001210375806 1134202178 /nfs/dbraw/zinc/20/21/78/1134202178.db2.gz BOKBEBVUOWRWKN-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO Cc1cn2c(cccc2Nc2cc(C#N)ccc2C)[nH+]1 ZINC001210498746 1134229808 /nfs/dbraw/zinc/22/98/08/1134229808.db2.gz QWVDPFKTDJHAIH-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1cc[nH+]c2cc(NC3=CC(=O)C[C@@H](C)C3)ccc12 ZINC001210777124 1134293889 /nfs/dbraw/zinc/29/38/89/1134293889.db2.gz WOIANOMIGYUHES-NSHDSACASA-N 1 2 266.344 3.838 20 30 CHEDLO COc1cc(Nc2ccc3nc(C#N)sc3c2)cc(C)[nH+]1 ZINC001210781252 1134294796 /nfs/dbraw/zinc/29/47/96/1134294796.db2.gz PUNSCHZXFCCOER-UHFFFAOYSA-N 1 2 296.355 3.624 20 30 CHEDLO COc1cc(Nc2ccc([C@H](C)C#N)cc2)cc(C)[nH+]1 ZINC001210780863 1134295148 /nfs/dbraw/zinc/29/51/48/1134295148.db2.gz JKTJYMHHXOUQDU-LLVKDONJSA-N 1 2 267.332 3.769 20 30 CHEDLO COc1cc(Nc2c(C)cc(C#N)cc2C)cc(C)[nH+]1 ZINC001210781266 1134296074 /nfs/dbraw/zinc/29/60/74/1134296074.db2.gz QBDOODLPPRBHBT-UHFFFAOYSA-N 1 2 267.332 3.631 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(C#N)c(C)c2)[nH+]1 ZINC001210803888 1134299066 /nfs/dbraw/zinc/29/90/66/1134299066.db2.gz YJJXEQCHHVAVLQ-UHFFFAOYSA-N 1 2 262.316 3.566 20 30 CHEDLO Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1C#N ZINC001210806152 1134300087 /nfs/dbraw/zinc/30/00/87/1134300087.db2.gz SGWXODUKLHIQOE-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO CSc1cc(Nc2ccc(C#N)c(C)c2)cc[nH+]1 ZINC001210809666 1134300910 /nfs/dbraw/zinc/30/09/10/1134300910.db2.gz AIPBWFQURVUOAZ-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C#N)c(C)c1 ZINC001210810024 1134302115 /nfs/dbraw/zinc/30/21/15/1134302115.db2.gz OSQUOZGCAUAZKE-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO N#Cc1cnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Cl)c1 ZINC001213085462 1134424671 /nfs/dbraw/zinc/42/46/71/1134424671.db2.gz GPZCYOFDYBVBNW-UHFFFAOYSA-N 1 2 295.733 3.740 20 30 CHEDLO N#Cc1cc(Nc2cccc(C3CCC3)[nH+]2)ccc1N ZINC001213433911 1134447568 /nfs/dbraw/zinc/44/75/68/1134447568.db2.gz PZCWOHPIXLDKPE-UHFFFAOYSA-N 1 2 264.332 3.547 20 30 CHEDLO Cc1ccc2c(Nc3ccc(N)c(C#N)c3)cccc2[nH+]1 ZINC001213439046 1134448798 /nfs/dbraw/zinc/44/87/98/1134448798.db2.gz MMBUGNHEYHEBGJ-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO Cc1coc(Nc2cc(C3CC3)c[nH+]c2C)c1C#N ZINC001213497643 1134455600 /nfs/dbraw/zinc/45/56/00/1134455600.db2.gz ZUFFNQHSKPQQRC-UHFFFAOYSA-N 1 2 253.305 3.784 20 30 CHEDLO Cc1cc(C)c(Nc2onc(C(C)(C)C)c2C#N)c[nH+]1 ZINC001213507782 1134457840 /nfs/dbraw/zinc/45/78/40/1134457840.db2.gz FONZHRFOYFKWRE-UHFFFAOYSA-N 1 2 270.336 3.599 20 30 CHEDLO Cc1c[nH+]cc(Nc2sc3c(c2C#N)CCC3)c1C ZINC001213522841 1134460319 /nfs/dbraw/zinc/46/03/19/1134460319.db2.gz HPVZYJOQIYOLCG-UHFFFAOYSA-N 1 2 269.373 3.864 20 30 CHEDLO Cc1sc(Nc2c[nH+]cc(C)c2C)c(C#N)c1C ZINC001213522873 1134460388 /nfs/dbraw/zinc/46/03/88/1134460388.db2.gz IIVWMYQBLVJZIO-UHFFFAOYSA-N 1 2 257.362 3.992 20 30 CHEDLO CC(=O)c1ccc(Nc2c[nH+]cc(C)c2C)c(C#N)c1 ZINC001213534033 1134462948 /nfs/dbraw/zinc/46/29/48/1134462948.db2.gz IYCFNVUCWCAXRR-UHFFFAOYSA-N 1 2 265.316 3.516 20 30 CHEDLO COc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1C#N ZINC001214996618 1134592108 /nfs/dbraw/zinc/59/21/08/1134592108.db2.gz GNCMYGSJMSIDOQ-UHFFFAOYSA-N 1 2 298.733 3.612 20 30 CHEDLO C=CC[C@@H](OCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC001222600951 1135255334 /nfs/dbraw/zinc/25/53/34/1135255334.db2.gz WIRANNHALCVJCL-OAHLLOKOSA-N 1 2 276.767 3.908 20 30 CHEDLO N#Cc1csc(C[NH2+][C@H]2CCc3sc(Cl)cc32)n1 ZINC000334594407 225030777 /nfs/dbraw/zinc/03/07/77/225030777.db2.gz VQHGBFSGGQLIFU-VIFPVBQESA-N 1 2 295.820 3.507 20 30 CHEDLO N#CCC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000349647901 226795525 /nfs/dbraw/zinc/79/55/25/226795525.db2.gz WQIYPOSSICWCED-GFCCVEGCSA-N 1 2 291.807 3.931 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H](c2ccccc2)O1 ZINC000352720072 227187760 /nfs/dbraw/zinc/18/77/60/227187760.db2.gz QQOBHXPKMRUZKM-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H](c2ccccc2)O1 ZINC000352720072 227187765 /nfs/dbraw/zinc/18/77/65/227187765.db2.gz QQOBHXPKMRUZKM-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1[nH+]cccc1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356107150 228122713 /nfs/dbraw/zinc/12/27/13/228122713.db2.gz LXEDCMWJBMGXMY-UHFFFAOYSA-N 1 2 291.276 3.893 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000187771096 260056375 /nfs/dbraw/zinc/05/63/75/260056375.db2.gz KXNNZYDHTBRBIW-MRXNPFEDSA-N 1 2 269.348 3.618 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cccc1Cl ZINC000054182589 260216755 /nfs/dbraw/zinc/21/67/55/260216755.db2.gz LWGPCTYVYCYVFC-VIFPVBQESA-N 1 2 257.164 3.775 20 30 CHEDLO C=C(C)C[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698618 261106604 /nfs/dbraw/zinc/10/66/04/261106604.db2.gz CRJUQAHLSHIAJA-SWLSCSKDSA-N 1 2 265.784 3.678 20 30 CHEDLO C=C(C)C[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444698618 261106605 /nfs/dbraw/zinc/10/66/05/261106605.db2.gz CRJUQAHLSHIAJA-SWLSCSKDSA-N 1 2 265.784 3.678 20 30 CHEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(F)cc1 ZINC000491351583 261420418 /nfs/dbraw/zinc/42/04/18/261420418.db2.gz USMLJJFFKDZYQR-BBRMVZONSA-N 1 2 268.335 3.554 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(C(F)(F)F)s1)C1CCCC1 ZINC000491555051 261667983 /nfs/dbraw/zinc/66/79/83/261667983.db2.gz OGWXRZNGJWYGAA-UHFFFAOYSA-N 1 2 288.338 3.540 20 30 CHEDLO C#CC[N@H+](Cc1ncc(C(F)(F)F)s1)C1CCCC1 ZINC000491555051 261667986 /nfs/dbraw/zinc/66/79/86/261667986.db2.gz OGWXRZNGJWYGAA-UHFFFAOYSA-N 1 2 288.338 3.540 20 30 CHEDLO N#CC[N@@H+](Cc1ccc(C(F)F)cc1)C1CCCC1 ZINC000183949519 262001342 /nfs/dbraw/zinc/00/13/42/262001342.db2.gz SBJNYRMJFMDHFL-UHFFFAOYSA-N 1 2 264.319 3.892 20 30 CHEDLO N#CC[N@H+](Cc1ccc(C(F)F)cc1)C1CCCC1 ZINC000183949519 262001343 /nfs/dbraw/zinc/00/13/43/262001343.db2.gz SBJNYRMJFMDHFL-UHFFFAOYSA-N 1 2 264.319 3.892 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000184089784 262008180 /nfs/dbraw/zinc/00/81/80/262008180.db2.gz OJEDBDQHQLXDKM-CYBMUJFWSA-N 1 2 299.330 3.637 20 30 CHEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc(C)cs1 ZINC000184362100 262018291 /nfs/dbraw/zinc/01/82/91/262018291.db2.gz MUCFSOQWDPGAQV-AWEZNQCLSA-N 1 2 289.379 3.703 20 30 CHEDLO CC(C)c1cccc2c1CC[N@H+](C[C@H](C#N)CCC#N)C2 ZINC000191892455 262196384 /nfs/dbraw/zinc/19/63/84/262196384.db2.gz VMQPWBJEZHXPEW-HNNXBMFYSA-N 1 2 281.403 3.612 20 30 CHEDLO CC(C)c1cccc2c1CC[N@@H+](C[C@H](C#N)CCC#N)C2 ZINC000191892455 262196385 /nfs/dbraw/zinc/19/63/85/262196385.db2.gz VMQPWBJEZHXPEW-HNNXBMFYSA-N 1 2 281.403 3.612 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000227521019 262391748 /nfs/dbraw/zinc/39/17/48/262391748.db2.gz STPJIPFSIQRSSQ-UHFFFAOYSA-N 1 2 266.747 3.605 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCCC(F)(F)C1 ZINC000338313504 262521168 /nfs/dbraw/zinc/52/11/68/262521168.db2.gz KQMXLXKOSPNJNR-CYBMUJFWSA-N 1 2 282.334 3.821 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCCC(F)(F)C1 ZINC000338313504 262521170 /nfs/dbraw/zinc/52/11/70/262521170.db2.gz KQMXLXKOSPNJNR-CYBMUJFWSA-N 1 2 282.334 3.821 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000274213897 263022068 /nfs/dbraw/zinc/02/20/68/263022068.db2.gz OGEJSRAOABCDNJ-KGLIPLIRSA-N 1 2 257.381 3.555 20 30 CHEDLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000274213897 263022069 /nfs/dbraw/zinc/02/20/69/263022069.db2.gz OGEJSRAOABCDNJ-KGLIPLIRSA-N 1 2 257.381 3.555 20 30 CHEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280291262 263060243 /nfs/dbraw/zinc/06/02/43/263060243.db2.gz XCUAKYNFMQDLBB-UHFFFAOYSA-N 1 2 293.370 3.697 20 30 CHEDLO N#CC1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000286224535 263097777 /nfs/dbraw/zinc/09/77/77/263097777.db2.gz LLTFYQBHSJPJGE-UHFFFAOYSA-N 1 2 271.751 3.628 20 30 CHEDLO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)C(F)(F)F)c(O)c1 ZINC000287015071 263100693 /nfs/dbraw/zinc/10/06/93/263100693.db2.gz FZPSARNAHOLRSE-NTOSSWPYSA-N 1 2 288.313 3.608 20 30 CHEDLO CC1=C[C@@H](C)C[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486191 263117124 /nfs/dbraw/zinc/11/71/24/263117124.db2.gz RGEZADGYOFHBFM-NVXWUHKLSA-N 1 2 283.419 3.790 20 30 CHEDLO CC1=C[C@@H](C)C[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000290486191 263117125 /nfs/dbraw/zinc/11/71/25/263117125.db2.gz RGEZADGYOFHBFM-NVXWUHKLSA-N 1 2 283.419 3.790 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(Sc2ccccn2)o1 ZINC000294801143 263167655 /nfs/dbraw/zinc/16/76/55/263167655.db2.gz DIHWBKNRSOUFEE-UHFFFAOYSA-N 1 2 287.388 3.561 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(Sc2ccccn2)o1 ZINC000294801143 263167657 /nfs/dbraw/zinc/16/76/57/263167657.db2.gz DIHWBKNRSOUFEE-UHFFFAOYSA-N 1 2 287.388 3.561 20 30 CHEDLO Cc1ccc([C@@H]([NH2+]CCC#N)c2ccccc2)cc1 ZINC000341797648 263349720 /nfs/dbraw/zinc/34/97/20/263349720.db2.gz FWMMDILUZZYFAE-KRWDZBQOSA-N 1 2 250.345 3.588 20 30 CHEDLO N#CCC1(CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000343047838 263568419 /nfs/dbraw/zinc/56/84/19/263568419.db2.gz YTSGGOUCXRVWJU-UHFFFAOYSA-N 1 2 271.751 3.994 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)cs1)Cc1ccccc1 ZINC000081648865 264427784 /nfs/dbraw/zinc/42/77/84/264427784.db2.gz NEXCODXZAFIBLT-UHFFFAOYSA-N 1 2 258.390 3.640 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)cs1)Cc1ccccc1 ZINC000081648865 264427787 /nfs/dbraw/zinc/42/77/87/264427787.db2.gz NEXCODXZAFIBLT-UHFFFAOYSA-N 1 2 258.390 3.640 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)s1 ZINC000356233714 266078859 /nfs/dbraw/zinc/07/88/59/266078859.db2.gz RXMBIRUILIHVPM-LBPRGKRZSA-N 1 2 289.429 3.722 20 30 CHEDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)s1 ZINC000356233714 266078861 /nfs/dbraw/zinc/07/88/61/266078861.db2.gz RXMBIRUILIHVPM-LBPRGKRZSA-N 1 2 289.429 3.722 20 30 CHEDLO Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C)[nH+]1 ZINC000356362659 266101222 /nfs/dbraw/zinc/10/12/22/266101222.db2.gz STZHBSSXEHRENO-INIZCTEOSA-N 1 2 293.370 3.725 20 30 CHEDLO Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C)[nH+]1 ZINC000356362662 266101536 /nfs/dbraw/zinc/10/15/36/266101536.db2.gz STZHBSSXEHRENO-MRXNPFEDSA-N 1 2 293.370 3.725 20 30 CHEDLO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccccc1 ZINC000357269764 266269471 /nfs/dbraw/zinc/26/94/71/266269471.db2.gz NWGYRJRWKYQBRP-UHFFFAOYSA-N 1 2 295.342 3.518 20 30 CHEDLO C=CC[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccccc1 ZINC000357269764 266269473 /nfs/dbraw/zinc/26/94/73/266269473.db2.gz NWGYRJRWKYQBRP-UHFFFAOYSA-N 1 2 295.342 3.518 20 30 CHEDLO C=C(C)CN(C)c1cc(COC)[nH+]c2ccc(F)cc21 ZINC000357458062 266300599 /nfs/dbraw/zinc/30/05/99/266300599.db2.gz XGRDDHFKHALAKN-UHFFFAOYSA-N 1 2 274.339 3.533 20 30 CHEDLO C=CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CC1 ZINC000357552922 266321110 /nfs/dbraw/zinc/32/11/10/266321110.db2.gz MESACEIHEYGQPJ-UHFFFAOYSA-N 1 2 293.414 3.511 20 30 CHEDLO C=CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CC1 ZINC000357552922 266321112 /nfs/dbraw/zinc/32/11/12/266321112.db2.gz MESACEIHEYGQPJ-UHFFFAOYSA-N 1 2 293.414 3.511 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCC1 ZINC000357665109 266342185 /nfs/dbraw/zinc/34/21/85/266342185.db2.gz QLPSXKNVMVLYCQ-UHFFFAOYSA-N 1 2 269.348 3.556 20 30 CHEDLO Cc1cccc(CCNc2c(Cl)cccc2C#N)[nH+]1 ZINC000359822053 266642731 /nfs/dbraw/zinc/64/27/31/266642731.db2.gz ZGWBSICSBOSJCQ-UHFFFAOYSA-N 1 2 271.751 3.570 20 30 CHEDLO N#CCC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000362959115 267067755 /nfs/dbraw/zinc/06/77/55/267067755.db2.gz YENOKXFVQCVQFM-ZDUSSCGKSA-N 1 2 268.282 3.756 20 30 CHEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000362959115 267067756 /nfs/dbraw/zinc/06/77/56/267067756.db2.gz YENOKXFVQCVQFM-ZDUSSCGKSA-N 1 2 268.282 3.756 20 30 CHEDLO CC#CCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000368399874 267169082 /nfs/dbraw/zinc/16/90/82/267169082.db2.gz MKKXVYFSDIFBKE-UHFFFAOYSA-N 1 2 295.386 3.826 20 30 CHEDLO CCCCCCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123499784 268056398 /nfs/dbraw/zinc/05/63/98/268056398.db2.gz VBALKXOCGFNOMO-HOTGVXAUSA-N 1 2 291.439 3.653 20 30 CHEDLO CCc1cccc(Cl)c1C[NH2+][C@H](CC)CC#N ZINC000354924233 529172099 /nfs/dbraw/zinc/17/20/99/529172099.db2.gz DFPUJTGWULLZBK-GFCCVEGCSA-N 1 2 250.773 3.684 20 30 CHEDLO Cc1ccc(-c2ccc(C[NH2+]CC3(C#N)CC3)o2)cc1 ZINC000563586419 328075730 /nfs/dbraw/zinc/07/57/30/328075730.db2.gz RBJZIKRSFCQJDK-UHFFFAOYSA-N 1 2 266.344 3.648 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767717 328099190 /nfs/dbraw/zinc/09/91/90/328099190.db2.gz OJJZRMIEEYXESX-XHDPSFHLSA-N 1 2 282.309 3.528 20 30 CHEDLO C[C@@H](CCC#N)[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000411767717 328099191 /nfs/dbraw/zinc/09/91/91/328099191.db2.gz OJJZRMIEEYXESX-XHDPSFHLSA-N 1 2 282.309 3.528 20 30 CHEDLO N#CCC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccccc1 ZINC000413197132 328142233 /nfs/dbraw/zinc/14/22/33/328142233.db2.gz FLWNLYXBFKGCCA-OAHLLOKOSA-N 1 2 293.374 3.508 20 30 CHEDLO N#CCC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccccc1 ZINC000413197132 328142234 /nfs/dbraw/zinc/14/22/34/328142234.db2.gz FLWNLYXBFKGCCA-OAHLLOKOSA-N 1 2 293.374 3.508 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1ncc(C)s1 ZINC000180411499 329216158 /nfs/dbraw/zinc/21/61/58/329216158.db2.gz IRTZDOZIQZMWTK-UHFFFAOYSA-N 1 2 264.419 3.701 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ncc(C)s1 ZINC000180411499 329216159 /nfs/dbraw/zinc/21/61/59/329216159.db2.gz IRTZDOZIQZMWTK-UHFFFAOYSA-N 1 2 264.419 3.701 20 30 CHEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121505104 328375778 /nfs/dbraw/zinc/37/57/78/328375778.db2.gz LBAUBZSPVSWJSD-JTQLQIEISA-N 1 2 277.755 3.569 20 30 CHEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121505104 328375781 /nfs/dbraw/zinc/37/57/81/328375781.db2.gz LBAUBZSPVSWJSD-JTQLQIEISA-N 1 2 277.755 3.569 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281884802 328504806 /nfs/dbraw/zinc/50/48/06/328504806.db2.gz SJZMMOCNXCKEAF-CABCVRRESA-N 1 2 289.423 3.559 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000566429506 327361285 /nfs/dbraw/zinc/36/12/85/327361285.db2.gz UHYGYOAANDQIBE-CQSZACIVSA-N 1 2 285.416 3.516 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2ccccc2n1C ZINC000154733195 327386373 /nfs/dbraw/zinc/38/63/73/327386373.db2.gz DOCMHJOIIXPMGK-UHFFFAOYSA-N 1 2 297.427 3.823 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2ccccc2n1C ZINC000154733195 327386374 /nfs/dbraw/zinc/38/63/74/327386374.db2.gz DOCMHJOIIXPMGK-UHFFFAOYSA-N 1 2 297.427 3.823 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000360075154 329071366 /nfs/dbraw/zinc/07/13/66/329071366.db2.gz LLNRYRFIUBPSHB-MRXNPFEDSA-N 1 2 288.297 3.767 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000360075154 329071367 /nfs/dbraw/zinc/07/13/67/329071367.db2.gz LLNRYRFIUBPSHB-MRXNPFEDSA-N 1 2 288.297 3.767 20 30 CHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)cs1 ZINC000189934326 329390462 /nfs/dbraw/zinc/39/04/62/329390462.db2.gz ILSIBNNWGMXWBJ-CQSZACIVSA-N 1 2 289.429 3.722 20 30 CHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)cs1 ZINC000189934326 329390463 /nfs/dbraw/zinc/39/04/63/329390463.db2.gz ILSIBNNWGMXWBJ-CQSZACIVSA-N 1 2 289.429 3.722 20 30 CHEDLO C=CC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(OC)cc1 ZINC000270624937 330076640 /nfs/dbraw/zinc/07/66/40/330076640.db2.gz PLOIBFGTKHIZAP-UHFFFAOYSA-N 1 2 298.386 3.749 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(OC)cc1 ZINC000270624937 330076641 /nfs/dbraw/zinc/07/66/41/330076641.db2.gz PLOIBFGTKHIZAP-UHFFFAOYSA-N 1 2 298.386 3.749 20 30 CHEDLO Cc1nc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)cs1 ZINC000276921995 330114908 /nfs/dbraw/zinc/11/49/08/330114908.db2.gz HHFBZPCIBZQSOG-QGZVFWFLSA-N 1 2 282.412 3.640 20 30 CHEDLO Cc1nc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)cs1 ZINC000276921995 330114911 /nfs/dbraw/zinc/11/49/11/330114911.db2.gz HHFBZPCIBZQSOG-QGZVFWFLSA-N 1 2 282.412 3.640 20 30 CHEDLO C=CC[C@H]1[N@@H+](Cc2noc(C3CC3)n2)CCCC1(C)C ZINC000277874179 330118642 /nfs/dbraw/zinc/11/86/42/330118642.db2.gz UYUDULNCYIXBMS-CYBMUJFWSA-N 1 2 275.396 3.514 20 30 CHEDLO C=CC[C@H]1[N@H+](Cc2noc(C3CC3)n2)CCCC1(C)C ZINC000277874179 330118644 /nfs/dbraw/zinc/11/86/44/330118644.db2.gz UYUDULNCYIXBMS-CYBMUJFWSA-N 1 2 275.396 3.514 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C)c(C)o1)Cc1ccccc1 ZINC000279366526 330123011 /nfs/dbraw/zinc/12/30/11/330123011.db2.gz RKQSOFSJDQVDIX-UHFFFAOYSA-N 1 2 270.376 3.870 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C)c(C)o1)Cc1ccccc1 ZINC000279366526 330123012 /nfs/dbraw/zinc/12/30/12/330123012.db2.gz RKQSOFSJDQVDIX-UHFFFAOYSA-N 1 2 270.376 3.870 20 30 CHEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]ccc2ccccc21 ZINC000528060319 330306627 /nfs/dbraw/zinc/30/66/27/330306627.db2.gz ZLUSMTUUCPKMGG-GASCZTMLSA-N 1 2 250.345 3.922 20 30 CHEDLO N#CC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000057875766 330379245 /nfs/dbraw/zinc/37/92/45/330379245.db2.gz CAZKOSPWPYOLSR-UHFFFAOYSA-N 1 2 289.448 3.926 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000121381190 330399726 /nfs/dbraw/zinc/39/97/26/330399726.db2.gz BZGFMRZPMIUZOJ-UHFFFAOYSA-N 1 2 272.417 3.546 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000121381190 330399727 /nfs/dbraw/zinc/39/97/27/330399727.db2.gz BZGFMRZPMIUZOJ-UHFFFAOYSA-N 1 2 272.417 3.546 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1Cl ZINC000537290679 330431186 /nfs/dbraw/zinc/43/11/86/330431186.db2.gz NLVCUKWNMWYTQF-VIFPVBQESA-N 1 2 269.175 3.948 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1Cl ZINC000537290662 330431215 /nfs/dbraw/zinc/43/12/15/330431215.db2.gz NLVCUKWNMWYTQF-SECBINFHSA-N 1 2 269.175 3.948 20 30 CHEDLO C=CCC(C)(C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000429804889 330555137 /nfs/dbraw/zinc/55/51/37/330555137.db2.gz DXFZHGXEUBUGLG-UHFFFAOYSA-N 1 2 297.402 3.842 20 30 CHEDLO CC(C)(CCC#N)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000158128773 330822028 /nfs/dbraw/zinc/82/20/28/330822028.db2.gz NTGXTCJERYBFGJ-UHFFFAOYSA-N 1 2 286.423 3.814 20 30 CHEDLO C=CCOc1ccccc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000446434175 330848849 /nfs/dbraw/zinc/84/88/49/330848849.db2.gz HUOPXQHOPVCAIX-UHFFFAOYSA-N 1 2 282.343 3.516 20 30 CHEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451111570 331015902 /nfs/dbraw/zinc/01/59/02/331015902.db2.gz FXSSXIPRBDBHBP-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451111570 331015903 /nfs/dbraw/zinc/01/59/03/331015903.db2.gz FXSSXIPRBDBHBP-CQSZACIVSA-N 1 2 266.747 3.536 20 30 CHEDLO C=CCC1(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CCCCC1 ZINC000456417583 331192425 /nfs/dbraw/zinc/19/24/25/331192425.db2.gz KRFVGFOHXKLUFZ-UONOGXRCSA-N 1 2 287.407 3.532 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000489501250 332057050 /nfs/dbraw/zinc/05/70/50/332057050.db2.gz UOSCGTZOZCATHH-AWEZNQCLSA-N 1 2 283.375 3.586 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000489501250 332057051 /nfs/dbraw/zinc/05/70/51/332057051.db2.gz UOSCGTZOZCATHH-AWEZNQCLSA-N 1 2 283.375 3.586 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000491396460 332204561 /nfs/dbraw/zinc/20/45/61/332204561.db2.gz YHFMLRSVMRSGPS-INIZCTEOSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccc(F)cc1 ZINC000491536438 332231888 /nfs/dbraw/zinc/23/18/88/332231888.db2.gz JQUZONKZPCDDDI-OAHLLOKOSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cccc(F)c1F)c1ccc(F)cc1 ZINC000491536437 332231891 /nfs/dbraw/zinc/23/18/91/332231891.db2.gz JQUZONKZPCDDDI-HNNXBMFYSA-N 1 2 275.273 3.568 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2ccccc2[nH]1 ZINC000195351214 333250809 /nfs/dbraw/zinc/25/08/09/333250809.db2.gz LKLIPXDYGJKYPP-UHFFFAOYSA-N 1 2 283.400 3.813 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2ccccc2[nH]1 ZINC000195351214 333250810 /nfs/dbraw/zinc/25/08/10/333250810.db2.gz LKLIPXDYGJKYPP-UHFFFAOYSA-N 1 2 283.400 3.813 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1c(F)cccc1F ZINC000539234431 333662297 /nfs/dbraw/zinc/66/22/97/333662297.db2.gz XVNIVHUPSYSEAI-SNVBAGLBSA-N 1 2 290.288 3.826 20 30 CHEDLO C=C[C@H](CC(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000131704460 333963571 /nfs/dbraw/zinc/96/35/71/333963571.db2.gz ZYXYONBZULILPJ-CQSZACIVSA-N 1 2 266.344 3.688 20 30 CHEDLO CC(C)([NH2+]CC#Cc1ccccc1Cl)c1nccs1 ZINC000135192980 334119416 /nfs/dbraw/zinc/11/94/16/334119416.db2.gz ROWWDIZANCLTFM-UHFFFAOYSA-N 1 2 290.819 3.673 20 30 CHEDLO CCCCOc1ccccc1C[NH2+][C@@H](CC)CC#N ZINC000136960045 334166260 /nfs/dbraw/zinc/16/62/60/334166260.db2.gz JSPVBWGKUGSOAA-HNNXBMFYSA-N 1 2 260.381 3.647 20 30 CHEDLO N#Cc1cccc(Cl)c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000549463156 334194420 /nfs/dbraw/zinc/19/44/20/334194420.db2.gz OQAPWAAJVDWZAF-UHFFFAOYSA-N 1 2 296.761 3.743 20 30 CHEDLO Cc1ccc2[nH+]c(CNc3cccc(Cl)c3C#N)cn2c1 ZINC000550924603 334233553 /nfs/dbraw/zinc/23/35/53/334233553.db2.gz IBACPGZPBSMODL-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO N#CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000551428663 334250136 /nfs/dbraw/zinc/25/01/36/334250136.db2.gz WKHXHQBENWLSAC-CABCVRRESA-N 1 2 262.784 3.869 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000552503854 334332468 /nfs/dbraw/zinc/33/24/68/334332468.db2.gz SRIWKBDTNQBJED-ZDUSSCGKSA-N 1 2 292.810 3.649 20 30 CHEDLO COc1ccc(CCC2CC[NH+](C(C)(C)C#N)CC2)cc1 ZINC000552717602 334343071 /nfs/dbraw/zinc/34/30/71/334343071.db2.gz UPYAWLAUFXLCKD-UHFFFAOYSA-N 1 2 286.419 3.642 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000576440604 335203469 /nfs/dbraw/zinc/20/34/69/335203469.db2.gz NHHNELQJRAHMJA-LBPRGKRZSA-N 1 2 273.767 3.670 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000576515748 335213138 /nfs/dbraw/zinc/21/31/38/335213138.db2.gz YWOQZTFIJMZZAX-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000576515748 335213140 /nfs/dbraw/zinc/21/31/40/335213140.db2.gz YWOQZTFIJMZZAX-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO Cc1cccc(CCNc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000359842489 335824135 /nfs/dbraw/zinc/82/41/35/335824135.db2.gz VSYJRZYQDMIUMM-UHFFFAOYSA-N 1 2 271.751 3.570 20 30 CHEDLO Cc1cc(N2CCC(CC#N)CC2)c2cccc(F)c2[nH+]1 ZINC000581031252 335999134 /nfs/dbraw/zinc/99/91/34/335999134.db2.gz VOGUPXQYVSSBTJ-UHFFFAOYSA-N 1 2 283.350 3.812 20 30 CHEDLO C=CCCCCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000565209205 517327081 /nfs/dbraw/zinc/32/70/81/517327081.db2.gz SKBKXMADNXFFCH-UHFFFAOYSA-N 1 2 299.418 3.597 20 30 CHEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000356095211 534764374 /nfs/dbraw/zinc/76/43/74/534764374.db2.gz XTVXXTHAELAJEY-OAHLLOKOSA-N 1 2 283.400 3.660 20 30 CHEDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000356095211 534764381 /nfs/dbraw/zinc/76/43/81/534764381.db2.gz XTVXXTHAELAJEY-OAHLLOKOSA-N 1 2 283.400 3.660 20 30 CHEDLO C=C1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000334925687 526906316 /nfs/dbraw/zinc/90/63/16/526906316.db2.gz DHKGTTDOLIGGSY-UHFFFAOYSA-N 1 2 289.766 3.542 20 30 CHEDLO CCc1cccc(Cl)c1C[NH2+][C@@H](CC)CC#N ZINC000354924258 529172665 /nfs/dbraw/zinc/17/26/65/529172665.db2.gz DFPUJTGWULLZBK-LBPRGKRZSA-N 1 2 250.773 3.684 20 30 CHEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1F ZINC000352794717 529189884 /nfs/dbraw/zinc/18/98/84/529189884.db2.gz HIHFYPMOAVXOBA-CYBMUJFWSA-N 1 2 293.342 3.534 20 30 CHEDLO COc1ccc(Cl)cc1C[N@H+](CCC#N)CC(C)C ZINC000049800861 1119124314 /nfs/dbraw/zinc/12/43/14/1119124314.db2.gz VHFLLAUXQBQBDV-UHFFFAOYSA-N 1 2 280.799 3.720 20 30 CHEDLO COc1ccc(Cl)cc1C[N@@H+](CCC#N)CC(C)C ZINC000049800861 1119124316 /nfs/dbraw/zinc/12/43/16/1119124316.db2.gz VHFLLAUXQBQBDV-UHFFFAOYSA-N 1 2 280.799 3.720 20 30 CHEDLO Cc1ccc2c(Nc3c(N)cccc3C#N)cccc2[nH+]1 ZINC001212798534 1125490036 /nfs/dbraw/zinc/49/00/36/1125490036.db2.gz KXYWLVPONSXDML-UHFFFAOYSA-N 1 2 274.327 3.741 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000612584884 1119802345 /nfs/dbraw/zinc/80/23/45/1119802345.db2.gz GHIQPZMTZNFYCC-UHFFFAOYSA-N 1 2 290.716 3.998 20 30 CHEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000625980309 1121564529 /nfs/dbraw/zinc/56/45/29/1121564529.db2.gz QCRBPWFJDYRIAR-LBPRGKRZSA-N 1 2 283.749 3.811 20 30 CHEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000625980309 1121564534 /nfs/dbraw/zinc/56/45/34/1121564534.db2.gz QCRBPWFJDYRIAR-LBPRGKRZSA-N 1 2 283.749 3.811 20 30 CHEDLO C=CC[N@@H+](Cc1cnc(SC)nc1Cl)C(C)(C)C ZINC001142434859 1132387105 /nfs/dbraw/zinc/38/71/05/1132387105.db2.gz AJVYVPJEYLEXPP-UHFFFAOYSA-N 1 2 285.844 3.638 20 30 CHEDLO C=CC[N@H+](Cc1cnc(SC)nc1Cl)C(C)(C)C ZINC001142434859 1132387113 /nfs/dbraw/zinc/38/71/13/1132387113.db2.gz AJVYVPJEYLEXPP-UHFFFAOYSA-N 1 2 285.844 3.638 20 30 CHEDLO C[C@H]1CCC[C@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799549 1125762495 /nfs/dbraw/zinc/76/24/95/1125762495.db2.gz NJQKTJNKWPRFPU-HOTGVXAUSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@H]1CCC[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799549 1125762501 /nfs/dbraw/zinc/76/25/01/1125762501.db2.gz NJQKTJNKWPRFPU-HOTGVXAUSA-N 1 2 271.408 3.624 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1scnc1C ZINC000093101048 1125763717 /nfs/dbraw/zinc/76/37/17/1125763717.db2.gz PXQZRDSCXGHQEN-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1scnc1C ZINC000093101048 1125763725 /nfs/dbraw/zinc/76/37/25/1125763725.db2.gz PXQZRDSCXGHQEN-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO CC[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000080073491 1125773060 /nfs/dbraw/zinc/77/30/60/1125773060.db2.gz DOMQJGXZMJHVOR-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000080073491 1125773067 /nfs/dbraw/zinc/77/30/67/1125773067.db2.gz DOMQJGXZMJHVOR-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO Cc1[nH+]c(C(C)N=Nc2c(Cl)cccc2Cl)cn1C ZINC000800813898 1129889860 /nfs/dbraw/zinc/88/98/60/1129889860.db2.gz DJAYSSLOSFBNOE-UHFFFAOYSA-N 1 2 297.189 3.871 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338331818 1126734876 /nfs/dbraw/zinc/73/48/76/1126734876.db2.gz YKAXZTXVFSSALZ-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2cccc(F)c2C1 ZINC000338331818 1126734879 /nfs/dbraw/zinc/73/48/79/1126734879.db2.gz YKAXZTXVFSSALZ-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000338343362 1126736145 /nfs/dbraw/zinc/73/61/45/1126736145.db2.gz BJMHFRDNHUACNP-GFCCVEGCSA-N 1 2 254.333 3.557 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000338343362 1126736148 /nfs/dbraw/zinc/73/61/48/1126736148.db2.gz BJMHFRDNHUACNP-GFCCVEGCSA-N 1 2 254.333 3.557 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483542295 1126792033 /nfs/dbraw/zinc/79/20/33/1126792033.db2.gz IYXMWKSQVUCWTC-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483542295 1126792036 /nfs/dbraw/zinc/79/20/36/1126792036.db2.gz IYXMWKSQVUCWTC-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(C#N)cc2Cl)[nH+]1 ZINC001213989761 1126799511 /nfs/dbraw/zinc/79/95/11/1126799511.db2.gz LPBYBUYSBSUDQC-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185440548 1126899813 /nfs/dbraw/zinc/89/98/13/1126899813.db2.gz JTLRVAZBIBVKRM-LBPRGKRZSA-N 1 2 287.338 3.552 20 30 CHEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365496 1126909872 /nfs/dbraw/zinc/90/98/72/1126909872.db2.gz OFVMQTZEZIMUHO-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187365496 1126909876 /nfs/dbraw/zinc/90/98/76/1126909876.db2.gz OFVMQTZEZIMUHO-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236807314 1131011161 /nfs/dbraw/zinc/01/11/61/1131011161.db2.gz NRTJPGSNTUGCCY-UHFFFAOYSA-N 1 2 283.799 3.842 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236807314 1131011166 /nfs/dbraw/zinc/01/11/66/1131011166.db2.gz NRTJPGSNTUGCCY-UHFFFAOYSA-N 1 2 283.799 3.842 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2c(F)cc(F)cc2nc1Cl ZINC001236882211 1131027638 /nfs/dbraw/zinc/02/76/38/1131027638.db2.gz RYBUTXJXIGDNNO-UHFFFAOYSA-N 1 2 282.721 3.784 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccs3)n2c1 ZINC000151375637 1127133499 /nfs/dbraw/zinc/13/34/99/1127133499.db2.gz NLZCQNPSRJJUNG-AATRIKPKSA-N 1 2 268.341 3.600 20 30 CHEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000056292061 1127209307 /nfs/dbraw/zinc/20/93/07/1127209307.db2.gz PLVIUPNXCQEEET-UHFFFAOYSA-N 1 2 277.795 3.642 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(Cl)cc1O ZINC001237937347 1131153688 /nfs/dbraw/zinc/15/36/88/1131153688.db2.gz PCXPMTPXISOWBZ-UHFFFAOYSA-N 1 2 284.762 3.700 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(Cl)cc1O ZINC001237937347 1131153691 /nfs/dbraw/zinc/15/36/91/1131153691.db2.gz PCXPMTPXISOWBZ-UHFFFAOYSA-N 1 2 284.762 3.700 20 30 CHEDLO C[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648738 1127267095 /nfs/dbraw/zinc/26/70/95/1127267095.db2.gz CGUAKAHVNDVGPO-WBMJQRKESA-N 1 2 278.346 3.694 20 30 CHEDLO C[C@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648738 1127267097 /nfs/dbraw/zinc/26/70/97/1127267097.db2.gz CGUAKAHVNDVGPO-WBMJQRKESA-N 1 2 278.346 3.694 20 30 CHEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592070770 1127334558 /nfs/dbraw/zinc/33/45/58/1127334558.db2.gz VYYMNKWCRSZMLV-DYVFJYSZSA-N 1 2 295.386 3.828 20 30 CHEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592070770 1127334561 /nfs/dbraw/zinc/33/45/61/1127334561.db2.gz VYYMNKWCRSZMLV-DYVFJYSZSA-N 1 2 295.386 3.828 20 30 CHEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000592071346 1127334619 /nfs/dbraw/zinc/33/46/19/1127334619.db2.gz HBHWNINPSXTLCA-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000592071346 1127334623 /nfs/dbraw/zinc/33/46/23/1127334623.db2.gz HBHWNINPSXTLCA-SFHVURJKSA-N 1 2 295.361 3.820 20 30 CHEDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccncc1C#N ZINC000592095408 1127336359 /nfs/dbraw/zinc/33/63/59/1127336359.db2.gz VUQQWIFPONOLJT-QGZVFWFLSA-N 1 2 295.386 3.593 20 30 CHEDLO C=C(Cl)C[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000760961185 1127341865 /nfs/dbraw/zinc/34/18/65/1127341865.db2.gz PEZJFFRJOGONNV-UHFFFAOYSA-N 1 2 277.795 3.927 20 30 CHEDLO COCc1cc[nH+]c(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000593946764 1127400658 /nfs/dbraw/zinc/40/06/58/1127400658.db2.gz KONJWJDMHJHCKI-UHFFFAOYSA-N 1 2 295.386 3.641 20 30 CHEDLO CC[N@@H+](Cc1cc(C(C)C)ccc1OC)C[C@@H](C)C#N ZINC000593952267 1127403374 /nfs/dbraw/zinc/40/33/74/1127403374.db2.gz VDANPRNYJMUFCX-AWEZNQCLSA-N 1 2 274.408 3.800 20 30 CHEDLO CC[N@H+](Cc1cc(C(C)C)ccc1OC)C[C@@H](C)C#N ZINC000593952267 1127403375 /nfs/dbraw/zinc/40/33/75/1127403375.db2.gz VDANPRNYJMUFCX-AWEZNQCLSA-N 1 2 274.408 3.800 20 30 CHEDLO FC(F)(F)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000761044396 1127408068 /nfs/dbraw/zinc/40/80/68/1127408068.db2.gz KCUZBCIHJQTVAF-GFCCVEGCSA-N 1 2 287.712 3.576 20 30 CHEDLO FC(F)(F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000761044396 1127408069 /nfs/dbraw/zinc/40/80/69/1127408069.db2.gz KCUZBCIHJQTVAF-GFCCVEGCSA-N 1 2 287.712 3.576 20 30 CHEDLO N#CC1(c2ccc(C[NH2+][C@@H]3CCCC3(F)F)cc2)CC1 ZINC000594958827 1127439944 /nfs/dbraw/zinc/43/99/44/1127439944.db2.gz VJQXKSQNENTMRY-CQSZACIVSA-N 1 2 276.330 3.519 20 30 CHEDLO N#CC1(C[NH2+]Cc2nc3c(s2)CCCC3)CCCCC1 ZINC000594981445 1127443122 /nfs/dbraw/zinc/44/31/22/1127443122.db2.gz QBQAEVUVAMETRL-UHFFFAOYSA-N 1 2 289.448 3.586 20 30 CHEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2F)CCCCC1 ZINC000594994224 1127444329 /nfs/dbraw/zinc/44/43/29/1127444329.db2.gz IJWCLJVLRNUYLB-UHFFFAOYSA-N 1 2 264.319 3.528 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1nc2ccccc2n1C ZINC000595090982 1127454995 /nfs/dbraw/zinc/45/49/95/1127454995.db2.gz LLHATJMXQUEVBN-AWEZNQCLSA-N 1 2 296.418 3.698 20 30 CHEDLO Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595096489 1127455475 /nfs/dbraw/zinc/45/54/75/1127455475.db2.gz ZPLDEHRYIHAMLA-ZIAGYGMSSA-N 1 2 278.346 3.759 20 30 CHEDLO CSc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000595425747 1127462165 /nfs/dbraw/zinc/46/21/65/1127462165.db2.gz MBJHFBGKADPGPR-OAHLLOKOSA-N 1 2 260.406 3.534 20 30 CHEDLO CSc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000595425747 1127462168 /nfs/dbraw/zinc/46/21/68/1127462168.db2.gz MBJHFBGKADPGPR-OAHLLOKOSA-N 1 2 260.406 3.534 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC000595623366 1127468338 /nfs/dbraw/zinc/46/83/38/1127468338.db2.gz OFQQFCRDBHSSCG-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC000595623366 1127468336 /nfs/dbraw/zinc/46/83/36/1127468336.db2.gz OFQQFCRDBHSSCG-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO CC(C)(C)[N@H+](Cc1ccsc1)Cc1ccncc1C#N ZINC000595599947 1127469293 /nfs/dbraw/zinc/46/92/93/1127469293.db2.gz DBOMMVPRMKKZPV-UHFFFAOYSA-N 1 2 285.416 3.815 20 30 CHEDLO CC(C)(C)[N@@H+](Cc1ccsc1)Cc1ccncc1C#N ZINC000595599947 1127469296 /nfs/dbraw/zinc/46/92/96/1127469296.db2.gz DBOMMVPRMKKZPV-UHFFFAOYSA-N 1 2 285.416 3.815 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000595612612 1127470377 /nfs/dbraw/zinc/47/03/77/1127470377.db2.gz YKPQMDZKANBGIN-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000595612612 1127470379 /nfs/dbraw/zinc/47/03/79/1127470379.db2.gz YKPQMDZKANBGIN-LBPRGKRZSA-N 1 2 287.388 3.529 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc1 ZINC000595676564 1127472493 /nfs/dbraw/zinc/47/24/93/1127472493.db2.gz PPGTWEVPSJOUEA-QGZVFWFLSA-N 1 2 293.370 3.664 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)nc1 ZINC000595676564 1127472495 /nfs/dbraw/zinc/47/24/95/1127472495.db2.gz PPGTWEVPSJOUEA-QGZVFWFLSA-N 1 2 293.370 3.664 20 30 CHEDLO C[C@@]1(Cc2cccc3ccccc32)CCC[N@@H+]1CC#N ZINC000595863422 1127478232 /nfs/dbraw/zinc/47/82/32/1127478232.db2.gz GMPYVHVVGMFQSR-SFHVURJKSA-N 1 2 264.372 3.760 20 30 CHEDLO C[C@@]1(Cc2cccc3ccccc32)CCC[N@H+]1CC#N ZINC000595863422 1127478235 /nfs/dbraw/zinc/47/82/35/1127478235.db2.gz GMPYVHVVGMFQSR-SFHVURJKSA-N 1 2 264.372 3.760 20 30 CHEDLO COCC[C@@H](c1ccccc1)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127924 1127479477 /nfs/dbraw/zinc/47/94/77/1127479477.db2.gz XXKSXDUIXXZJPU-IBGZPJMESA-N 1 2 292.382 3.652 20 30 CHEDLO COCC[C@@H](c1ccccc1)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127924 1127479480 /nfs/dbraw/zinc/47/94/80/1127479480.db2.gz XXKSXDUIXXZJPU-IBGZPJMESA-N 1 2 292.382 3.652 20 30 CHEDLO Cc1ccc(C(=O)CC[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000359857744 1127481114 /nfs/dbraw/zinc/48/11/14/1127481114.db2.gz QOBMSGYAAGGSEP-UHFFFAOYSA-N 1 2 286.419 3.830 20 30 CHEDLO Cc1ccc(C(=O)CC[N@H+](CCC#N)CCC(C)C)cc1 ZINC000359857744 1127481116 /nfs/dbraw/zinc/48/11/16/1127481116.db2.gz QOBMSGYAAGGSEP-UHFFFAOYSA-N 1 2 286.419 3.830 20 30 CHEDLO CC(C)c1cc(N2CCC[C@H](CC#N)C2)nc(C(C)C)[nH+]1 ZINC000596329624 1127492855 /nfs/dbraw/zinc/49/28/55/1127492855.db2.gz MJSFQUDRPLEODR-CQSZACIVSA-N 1 2 286.423 3.853 20 30 CHEDLO CCCc1cc(N2CC[C@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000596531464 1127507534 /nfs/dbraw/zinc/50/75/34/1127507534.db2.gz MHOALIHUYIZDBS-GOSISDBHSA-N 1 2 279.387 3.927 20 30 CHEDLO N#CCC1C[NH+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000597194717 1127531735 /nfs/dbraw/zinc/53/17/35/1127531735.db2.gz YLMAEDGQGWSONE-UHFFFAOYSA-N 1 2 286.375 3.900 20 30 CHEDLO Cc1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC000597177592 1127532113 /nfs/dbraw/zinc/53/21/13/1127532113.db2.gz PYBXYPBQAIVFPF-LBPRGKRZSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC000597177592 1127532115 /nfs/dbraw/zinc/53/21/15/1127532115.db2.gz PYBXYPBQAIVFPF-LBPRGKRZSA-N 1 2 280.774 3.913 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000597228703 1127535159 /nfs/dbraw/zinc/53/51/59/1127535159.db2.gz GEMYTAVUTUNPJY-KRWDZBQOSA-N 1 2 284.334 3.821 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000597228703 1127535160 /nfs/dbraw/zinc/53/51/60/1127535160.db2.gz GEMYTAVUTUNPJY-KRWDZBQOSA-N 1 2 284.334 3.821 20 30 CHEDLO C=CC[N@@H+](Cc1cc(C)ns1)Cc1cccc(C#N)c1 ZINC000602455254 1127579084 /nfs/dbraw/zinc/57/90/84/1127579084.db2.gz QNYODZWUZLRVDK-UHFFFAOYSA-N 1 2 283.400 3.511 20 30 CHEDLO C=CC[N@H+](Cc1cc(C)ns1)Cc1cccc(C#N)c1 ZINC000602455254 1127579089 /nfs/dbraw/zinc/57/90/89/1127579089.db2.gz QNYODZWUZLRVDK-UHFFFAOYSA-N 1 2 283.400 3.511 20 30 CHEDLO N#CCC1(C[NH+](Cc2ccco2)Cc2ccco2)CC1 ZINC000602758621 1127612499 /nfs/dbraw/zinc/61/24/99/1127612499.db2.gz MMPGNIDWLGQNII-UHFFFAOYSA-N 1 2 270.332 3.569 20 30 CHEDLO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)s1 ZINC000602956270 1127623159 /nfs/dbraw/zinc/62/31/59/1127623159.db2.gz NWZLPWTVBDKHAY-SECBINFHSA-N 1 2 291.807 3.827 20 30 CHEDLO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602976232 1127625120 /nfs/dbraw/zinc/62/51/20/1127625120.db2.gz NBQWFKKBMDTZLL-CXAGYDPISA-N 1 2 299.349 3.605 20 30 CHEDLO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602976232 1127625122 /nfs/dbraw/zinc/62/51/22/1127625122.db2.gz NBQWFKKBMDTZLL-CXAGYDPISA-N 1 2 299.349 3.605 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Cl)nc3)c[nH+]c12 ZINC000179413186 1127679933 /nfs/dbraw/zinc/67/99/33/1127679933.db2.gz YFRHUOHNZFUKRZ-AATRIKPKSA-N 1 2 297.745 3.587 20 30 CHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1c(F)cccc1F)C2 ZINC000599678339 1127688199 /nfs/dbraw/zinc/68/81/99/1127688199.db2.gz UFEXXAZOJUNFBJ-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1cccc2c1CC[N@H+](Cc1c(F)cccc1F)C2 ZINC000599678339 1127688202 /nfs/dbraw/zinc/68/82/02/1127688202.db2.gz UFEXXAZOJUNFBJ-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO CC[N@H+](CCC(F)(F)F)Cc1cn2ccccc2c1C#N ZINC000604525323 1127706867 /nfs/dbraw/zinc/70/68/67/1127706867.db2.gz ODNWJLHAHXZZLF-UHFFFAOYSA-N 1 2 295.308 3.585 20 30 CHEDLO CC[N@@H+](CCC(F)(F)F)Cc1cn2ccccc2c1C#N ZINC000604525323 1127706871 /nfs/dbraw/zinc/70/68/71/1127706871.db2.gz ODNWJLHAHXZZLF-UHFFFAOYSA-N 1 2 295.308 3.585 20 30 CHEDLO C#CCCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000367373120 1127753971 /nfs/dbraw/zinc/75/39/71/1127753971.db2.gz WVPUKSJWECOSIC-UHFFFAOYSA-N 1 2 295.386 3.826 20 30 CHEDLO CCCOc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028112 1127771653 /nfs/dbraw/zinc/77/16/53/1127771653.db2.gz FVEXHCOTOCSNJF-UHFFFAOYSA-N 1 2 292.382 3.863 20 30 CHEDLO CCCOc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028112 1127771656 /nfs/dbraw/zinc/77/16/56/1127771656.db2.gz FVEXHCOTOCSNJF-UHFFFAOYSA-N 1 2 292.382 3.863 20 30 CHEDLO Cc1cccn2c(/C=C3/CCc4ccccc4C3=O)c[nH+]c12 ZINC000172690825 1127778425 /nfs/dbraw/zinc/77/84/25/1127778425.db2.gz DFPMTSBWLFWETK-PTNGSMBKSA-N 1 2 288.350 3.855 20 30 CHEDLO COc1ccc2[nH+]c(C)cc(OCCC(C)(C)C#N)c2c1 ZINC000410318201 1127805510 /nfs/dbraw/zinc/80/55/10/1127805510.db2.gz HELCOQGBXBAORG-UHFFFAOYSA-N 1 2 284.359 3.871 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000411131959 1127842703 /nfs/dbraw/zinc/84/27/03/1127842703.db2.gz KAGKXSTUERMYCW-AWEZNQCLSA-N 1 2 256.349 3.732 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000411131959 1127842706 /nfs/dbraw/zinc/84/27/06/1127842706.db2.gz KAGKXSTUERMYCW-AWEZNQCLSA-N 1 2 256.349 3.732 20 30 CHEDLO N#CC1(CC[N@@H+]2CCO[C@H](c3ccco3)C2)CCCCC1 ZINC000411319008 1127854833 /nfs/dbraw/zinc/85/48/33/1127854833.db2.gz ABNWIVWJJKOCAU-INIZCTEOSA-N 1 2 288.391 3.517 20 30 CHEDLO N#CC1(CC[N@H+]2CCO[C@H](c3ccco3)C2)CCCCC1 ZINC000411319008 1127854836 /nfs/dbraw/zinc/85/48/36/1127854836.db2.gz ABNWIVWJJKOCAU-INIZCTEOSA-N 1 2 288.391 3.517 20 30 CHEDLO CCCOc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000539862364 1127949068 /nfs/dbraw/zinc/94/90/68/1127949068.db2.gz HTHQASHTVJIUKJ-AWEZNQCLSA-N 1 2 272.392 3.599 20 30 CHEDLO CCCOc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000539862364 1127949070 /nfs/dbraw/zinc/94/90/70/1127949070.db2.gz HTHQASHTVJIUKJ-AWEZNQCLSA-N 1 2 272.392 3.599 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1c1ccccc1 ZINC000469330907 1128040570 /nfs/dbraw/zinc/04/05/70/1128040570.db2.gz TYJAWTLPQZYQKT-UGSOOPFHSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1c1ccccc1 ZINC000469330907 1128040574 /nfs/dbraw/zinc/04/05/74/1128040574.db2.gz TYJAWTLPQZYQKT-UGSOOPFHSA-N 1 2 280.346 3.890 20 30 CHEDLO CCS[C@@H]1CCC[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000176413663 1128088096 /nfs/dbraw/zinc/08/80/96/1128088096.db2.gz NTAOGBVMDBFOOT-JKSCSLPYSA-N 1 2 263.406 3.875 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000926343483 1128168055 /nfs/dbraw/zinc/16/80/55/1128168055.db2.gz GESONWDIVYCMBA-RISCZKNCSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000926524230 1128178440 /nfs/dbraw/zinc/17/84/40/1128178440.db2.gz MELRXTRWGIPXKL-OCCSQVGLSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc(C#N)c1O ZINC000926674845 1128187344 /nfs/dbraw/zinc/18/73/44/1128187344.db2.gz FIXJKVZKLUVFCI-CJNGLKHVSA-N 1 2 295.386 3.503 20 30 CHEDLO CCc1ccc([C@H]([NH2+]CC(C)(C)C#N)c2cccnc2)cc1 ZINC000926875199 1128199077 /nfs/dbraw/zinc/19/90/77/1128199077.db2.gz WKLKWRVEPKGQSC-SFHVURJKSA-N 1 2 293.414 3.873 20 30 CHEDLO CC(C)[C@@H](C/[NH+]=C\c1cccc(O)c1O)c1ccccc1 ZINC000915112804 1128284406 /nfs/dbraw/zinc/28/44/06/1128284406.db2.gz GXTKYRXPIAXLOM-VXIUPONVSA-N 1 2 283.371 3.957 20 30 CHEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156316 1128397186 /nfs/dbraw/zinc/39/71/86/1128397186.db2.gz AUYTUUZFKKSCMS-NWDGAFQWSA-N 1 2 280.318 3.585 20 30 CHEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000932156316 1128397189 /nfs/dbraw/zinc/39/71/89/1128397189.db2.gz AUYTUUZFKKSCMS-NWDGAFQWSA-N 1 2 280.318 3.585 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000932153143 1128397265 /nfs/dbraw/zinc/39/72/65/1128397265.db2.gz VYXHJYRVBSFKBV-XHDPSFHLSA-N 1 2 260.768 3.563 20 30 CHEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000932153143 1128397270 /nfs/dbraw/zinc/39/72/70/1128397270.db2.gz VYXHJYRVBSFKBV-XHDPSFHLSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CCC#N ZINC000932917709 1128426710 /nfs/dbraw/zinc/42/67/10/1128426710.db2.gz WSGQUKRCMOVWMT-CYBMUJFWSA-N 1 2 268.813 3.712 20 30 CHEDLO C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCC#N ZINC000932917709 1128426712 /nfs/dbraw/zinc/42/67/12/1128426712.db2.gz WSGQUKRCMOVWMT-CYBMUJFWSA-N 1 2 268.813 3.712 20 30 CHEDLO Clc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917022986 1128468357 /nfs/dbraw/zinc/46/83/57/1128468357.db2.gz VGNXVUMDEYCKBU-UHFFFAOYSA-N 1 2 296.761 3.972 20 30 CHEDLO C#CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000917065600 1128473237 /nfs/dbraw/zinc/47/32/37/1128473237.db2.gz DXEXUNWSJPDDNE-ZDUSSCGKSA-N 1 2 254.160 3.764 20 30 CHEDLO C#CC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000917065600 1128473241 /nfs/dbraw/zinc/47/32/41/1128473241.db2.gz DXEXUNWSJPDDNE-ZDUSSCGKSA-N 1 2 254.160 3.764 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCC[C@@H](C)C2)c1O ZINC000920175536 1128670518 /nfs/dbraw/zinc/67/05/18/1128670518.db2.gz WYAUSKUTGGAMAJ-AACANCPSSA-N 1 2 261.365 3.646 20 30 CHEDLO Fc1cc(F)cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000920375420 1128678585 /nfs/dbraw/zinc/67/85/85/1128678585.db2.gz YUWVCGLOYDCEGJ-UHFFFAOYSA-N 1 2 298.296 3.597 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCc2ccc(C)cc2C)c1 ZINC000920864471 1128692636 /nfs/dbraw/zinc/69/26/36/1128692636.db2.gz WSZMYZYTEHSRCI-UNOMPAQXSA-N 1 2 283.371 3.679 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@@H]2CC=CCC2)c1 ZINC000920990968 1128697015 /nfs/dbraw/zinc/69/70/15/1128697015.db2.gz LXDWHCSXIZUZJR-KAECEXQPSA-N 1 2 259.349 3.566 20 30 CHEDLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCC[C@@H]1C#N ZINC000042488891 1117843559 /nfs/dbraw/zinc/84/35/59/1117843559.db2.gz JNRHWOSOGQALOE-KOLCDFICSA-N 1 2 254.786 3.526 20 30 CHEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCC[C@@H]1C#N ZINC000042488891 1117843563 /nfs/dbraw/zinc/84/35/63/1117843563.db2.gz JNRHWOSOGQALOE-KOLCDFICSA-N 1 2 254.786 3.526 20 30 CHEDLO C=CC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430218770 1117890817 /nfs/dbraw/zinc/89/08/17/1117890817.db2.gz NWBRWHBDIMSSED-ZDUSSCGKSA-N 1 2 284.172 3.911 20 30 CHEDLO C=CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430218770 1117890820 /nfs/dbraw/zinc/89/08/20/1117890820.db2.gz NWBRWHBDIMSSED-ZDUSSCGKSA-N 1 2 284.172 3.911 20 30 CHEDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000036335389 1117916787 /nfs/dbraw/zinc/91/67/87/1117916787.db2.gz NPVBADTUAVYFJR-CYBMUJFWSA-N 1 2 265.360 3.797 20 30 CHEDLO Cc1cc(C#N)ccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000185998598 1117962374 /nfs/dbraw/zinc/96/23/74/1117962374.db2.gz VSONADYRFSOMDA-UHFFFAOYSA-N 1 2 289.338 3.631 20 30 CHEDLO C=CCN(Cc1ccccc1)c1cc(C)[nH+]c(CC)n1 ZINC001167126825 1118042599 /nfs/dbraw/zinc/04/25/99/1118042599.db2.gz QXFWPMBXUDISMI-UHFFFAOYSA-N 1 2 267.376 3.540 20 30 CHEDLO C=CCCCCC[NH+]1CC(Oc2ccccc2F)C1 ZINC001209429112 1118052648 /nfs/dbraw/zinc/05/26/48/1118052648.db2.gz UFASCUMKTYHGBO-UHFFFAOYSA-N 1 2 263.356 3.635 20 30 CHEDLO N#CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CCCC1 ZINC000160274123 1118070306 /nfs/dbraw/zinc/07/03/06/1118070306.db2.gz WVCKGZUSZPDJBK-UHFFFAOYSA-N 1 2 284.403 3.539 20 30 CHEDLO N#CC[N@H+](Cc1cc2c(cc1O)CCCC2)C1CCCC1 ZINC000160274123 1118070311 /nfs/dbraw/zinc/07/03/11/1118070311.db2.gz WVCKGZUSZPDJBK-UHFFFAOYSA-N 1 2 284.403 3.539 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3cncc(C#N)c3)ccc12 ZINC001210089470 1118150139 /nfs/dbraw/zinc/15/01/39/1118150139.db2.gz OQTPGLXRIKKGBW-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc(C#N)cc1 ZINC000921515361 1118155220 /nfs/dbraw/zinc/15/52/20/1118155220.db2.gz CQNFTPRLNGBOOV-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001659832649 1118488101 /nfs/dbraw/zinc/48/81/01/1118488101.db2.gz OWGJISMTVCMSJW-MJBXVCDLSA-N 1 2 287.831 3.619 20 30 CHEDLO C#CC[N@@H+](Cc1ncc(C)s1)[C@@H]1CCc2ccccc21 ZINC000180445616 1128793595 /nfs/dbraw/zinc/79/35/95/1128793595.db2.gz CZUMYQYUQJJBSK-MRXNPFEDSA-N 1 2 282.412 3.574 20 30 CHEDLO C#CC[N@H+](Cc1ncc(C)s1)[C@@H]1CCc2ccccc21 ZINC000180445616 1128793598 /nfs/dbraw/zinc/79/35/98/1128793598.db2.gz CZUMYQYUQJJBSK-MRXNPFEDSA-N 1 2 282.412 3.574 20 30 CHEDLO Cc1cn2cc(NC(=O)NC3CCCCCC3)ccc2[nH+]1 ZINC000328858360 1118746047 /nfs/dbraw/zinc/74/60/47/1118746047.db2.gz YCOZUORAFQNFFE-UHFFFAOYSA-N 1 2 286.379 3.691 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000616731785 1128798343 /nfs/dbraw/zinc/79/83/43/1128798343.db2.gz NHGBFEKLBGWPNM-GOSISDBHSA-N 1 2 284.403 3.601 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000616731785 1128798345 /nfs/dbraw/zinc/79/83/45/1128798345.db2.gz NHGBFEKLBGWPNM-GOSISDBHSA-N 1 2 284.403 3.601 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCC[C@@H]2CCCCO2)c1O ZINC000588457739 1118821574 /nfs/dbraw/zinc/82/15/74/1118821574.db2.gz BMGZJPXLLMOHRO-LUJRCDHRSA-N 1 2 291.391 3.559 20 30 CHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000510871843 1118837371 /nfs/dbraw/zinc/83/73/71/1118837371.db2.gz JBSSGVPSOHDQMO-AWEZNQCLSA-N 1 2 282.309 3.744 20 30 CHEDLO C=CC[C@H]1CC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000934473621 1119084762 /nfs/dbraw/zinc/08/47/62/1119084762.db2.gz XWSYHYFQFFHSBQ-LBPRGKRZSA-N 1 2 250.411 3.591 20 30 CHEDLO C=CC[C@H]1CC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000934473621 1119084765 /nfs/dbraw/zinc/08/47/65/1119084765.db2.gz XWSYHYFQFFHSBQ-LBPRGKRZSA-N 1 2 250.411 3.591 20 30 CHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000162234282 1119272935 /nfs/dbraw/zinc/27/29/35/1119272935.db2.gz YKEJOOUQEYGCSV-UHFFFAOYSA-N 1 2 287.388 3.746 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000583299637 1119337779 /nfs/dbraw/zinc/33/77/79/1119337779.db2.gz NPMNVJNHDDXZRY-UHFFFAOYSA-N 1 2 284.334 3.788 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000127625963 1119368072 /nfs/dbraw/zinc/36/80/72/1119368072.db2.gz VCQBPDPEBMJWLG-UHFFFAOYSA-N 1 2 274.261 3.580 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000127625963 1119368074 /nfs/dbraw/zinc/36/80/74/1119368074.db2.gz VCQBPDPEBMJWLG-UHFFFAOYSA-N 1 2 274.261 3.580 20 30 CHEDLO CCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000343533838 1119445839 /nfs/dbraw/zinc/44/58/39/1119445839.db2.gz CUODNQWDYXAMGY-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000343533838 1119445840 /nfs/dbraw/zinc/44/58/40/1119445840.db2.gz CUODNQWDYXAMGY-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CC(C)([NH2+]CC1(C#N)CC1)c1ccccc1Br ZINC000343583047 1119460999 /nfs/dbraw/zinc/46/09/99/1119460999.db2.gz RKOFZXCNOZUUIS-UHFFFAOYSA-N 1 2 293.208 3.578 20 30 CHEDLO CCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000343584378 1119462727 /nfs/dbraw/zinc/46/27/27/1119462727.db2.gz VJLTYYURBCNDEZ-CQSZACIVSA-N 1 2 264.319 3.699 20 30 CHEDLO Cc1cnc([C@H]([NH2+]Cc2ccccc2C#N)C2CC2)s1 ZINC000179093495 1119547504 /nfs/dbraw/zinc/54/75/04/1119547504.db2.gz IWGIQPVYKBJSSG-OAHLLOKOSA-N 1 2 283.400 3.564 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c(C)c1 ZINC000255629220 1119664753 /nfs/dbraw/zinc/66/47/53/1119664753.db2.gz SIHYZRMOYKVRKC-CLFYSBASSA-N 1 2 276.339 3.847 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000612159042 1119736611 /nfs/dbraw/zinc/73/66/11/1119736611.db2.gz QJQASWZLHRTXQY-OAHLLOKOSA-N 1 2 262.784 3.508 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000612159042 1119736614 /nfs/dbraw/zinc/73/66/14/1119736614.db2.gz QJQASWZLHRTXQY-OAHLLOKOSA-N 1 2 262.784 3.508 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c1 ZINC000255848852 1119767468 /nfs/dbraw/zinc/76/74/68/1119767468.db2.gz XWZOWHVVFSBQJD-FPLPWBNLSA-N 1 2 276.339 3.847 20 30 CHEDLO CC(C)CCn1cccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406524 1119782695 /nfs/dbraw/zinc/78/26/95/1119782695.db2.gz ORLMDYGAZSPQHE-QGZVFWFLSA-N 1 2 273.424 3.660 20 30 CHEDLO CC(C)CCn1cccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406524 1119782697 /nfs/dbraw/zinc/78/26/97/1119782697.db2.gz ORLMDYGAZSPQHE-QGZVFWFLSA-N 1 2 273.424 3.660 20 30 CHEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000612406083 1119783434 /nfs/dbraw/zinc/78/34/34/1119783434.db2.gz IBNLBOMZKHKGOW-ICTCPBKTSA-N 1 2 274.795 3.979 20 30 CHEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000612406083 1119783438 /nfs/dbraw/zinc/78/34/38/1119783438.db2.gz IBNLBOMZKHKGOW-ICTCPBKTSA-N 1 2 274.795 3.979 20 30 CHEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001140751412 1119800828 /nfs/dbraw/zinc/80/08/28/1119800828.db2.gz VOXCKHUEXKQSKB-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC2 ZINC001140751412 1119800829 /nfs/dbraw/zinc/80/08/29/1119800829.db2.gz VOXCKHUEXKQSKB-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CCSC1(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)CC1 ZINC000926709639 1119836771 /nfs/dbraw/zinc/83/67/71/1119836771.db2.gz KCYUJVQFBGSHQG-AWEZNQCLSA-N 1 2 290.432 3.590 20 30 CHEDLO CC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000926717165 1119847832 /nfs/dbraw/zinc/84/78/32/1119847832.db2.gz CVAPIMRONDXQPN-CHWSQXEVSA-N 1 2 294.345 3.596 20 30 CHEDLO C=CCC(C)(C)c1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000924080439 1119887848 /nfs/dbraw/zinc/88/78/48/1119887848.db2.gz VCKXOAYTOCEMKV-ZDUSSCGKSA-N 1 2 275.396 3.613 20 30 CHEDLO C=CCC(C)(C)c1noc([C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000924080439 1119887852 /nfs/dbraw/zinc/88/78/52/1119887852.db2.gz VCKXOAYTOCEMKV-ZDUSSCGKSA-N 1 2 275.396 3.613 20 30 CHEDLO C#Cc1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000174286790 1119929245 /nfs/dbraw/zinc/92/92/45/1119929245.db2.gz JFQALAJSQAGJLD-UHFFFAOYSA-N 1 2 287.366 3.774 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143469498 1119969308 /nfs/dbraw/zinc/96/93/08/1119969308.db2.gz VRGBTVJOSMICRZ-LBPRGKRZSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143469498 1119969312 /nfs/dbraw/zinc/96/93/12/1119969312.db2.gz VRGBTVJOSMICRZ-LBPRGKRZSA-N 1 2 298.308 3.629 20 30 CHEDLO CC(C)(C)CCN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000782907763 1120069679 /nfs/dbraw/zinc/06/96/79/1120069679.db2.gz OTFKONGQIRXUGW-UHFFFAOYSA-N 1 2 277.412 3.630 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000153631960 1120115036 /nfs/dbraw/zinc/11/50/36/1120115036.db2.gz OWKMQDLYQGASTK-CYBMUJFWSA-N 1 2 298.361 3.899 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000153631960 1120115038 /nfs/dbraw/zinc/11/50/38/1120115038.db2.gz OWKMQDLYQGASTK-CYBMUJFWSA-N 1 2 298.361 3.899 20 30 CHEDLO C=CCCC[C@H](C(=O)OCc1c[nH+]cn1C)c1ccccc1 ZINC000892779533 1120141602 /nfs/dbraw/zinc/14/16/02/1120141602.db2.gz PTYJLQPHYLYAHW-KRWDZBQOSA-N 1 2 298.386 3.603 20 30 CHEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000057752642 1120170846 /nfs/dbraw/zinc/17/08/46/1120170846.db2.gz BMTPBYAQQOGTBI-NSHDSACASA-N 1 2 284.197 3.597 20 30 CHEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000057752642 1120170849 /nfs/dbraw/zinc/17/08/49/1120170849.db2.gz BMTPBYAQQOGTBI-NSHDSACASA-N 1 2 284.197 3.597 20 30 CHEDLO CCc1ccc([C@H]([NH2+]CC2(C#N)CC2)c2cccnc2)cc1 ZINC000926874356 1120173632 /nfs/dbraw/zinc/17/36/32/1120173632.db2.gz PSVBDTDHGQLRLM-SFHVURJKSA-N 1 2 291.398 3.627 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\C(=O)c2ccccc2[C@H]1C ZINC000901506410 1128896634 /nfs/dbraw/zinc/89/66/34/1128896634.db2.gz LWVVPRMVXQBKPK-VJMCZWTHSA-N 1 2 266.344 3.847 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000428840141 1120186924 /nfs/dbraw/zinc/18/69/24/1120186924.db2.gz MQAIGDMYFLGVNE-UHFFFAOYSA-N 1 2 250.345 3.741 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000428840141 1120186925 /nfs/dbraw/zinc/18/69/25/1120186925.db2.gz MQAIGDMYFLGVNE-UHFFFAOYSA-N 1 2 250.345 3.741 20 30 CHEDLO C[N@H+](Cc1ccsc1Cl)Cc1cccc(C#N)c1 ZINC000361508024 1120189446 /nfs/dbraw/zinc/18/94/46/1120189446.db2.gz IBXBVTYKUOQHIG-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccsc1Cl)Cc1cccc(C#N)c1 ZINC000361508024 1120189448 /nfs/dbraw/zinc/18/94/48/1120189448.db2.gz IBXBVTYKUOQHIG-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C=CC[N@H+](CCC#N)CCc1ccc2ccccc2c1 ZINC000428841014 1120194664 /nfs/dbraw/zinc/19/46/64/1120194664.db2.gz BMSDLZGHJKPKPP-UHFFFAOYSA-N 1 2 264.372 3.784 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCc1ccc2ccccc2c1 ZINC000428841014 1120194666 /nfs/dbraw/zinc/19/46/66/1120194666.db2.gz BMSDLZGHJKPKPP-UHFFFAOYSA-N 1 2 264.372 3.784 20 30 CHEDLO N#Cc1cc(CNc2ccc(N3CCCCC3)[nH+]c2)cs1 ZINC000921917278 1120280814 /nfs/dbraw/zinc/28/08/14/1120280814.db2.gz KQQOTVMBTIRJIT-UHFFFAOYSA-N 1 2 298.415 3.617 20 30 CHEDLO CC(C)(C)c1coc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1 ZINC000922074207 1120355321 /nfs/dbraw/zinc/35/53/21/1120355321.db2.gz YVSLEVPWVCKVPR-HNNXBMFYSA-N 1 2 295.386 3.621 20 30 CHEDLO C=CC[N@@H+](CCC#N)C[C@@H](C)c1cccc(Cl)c1 ZINC000428846870 1120413831 /nfs/dbraw/zinc/41/38/31/1120413831.db2.gz SEDOQIIYGITIAB-CYBMUJFWSA-N 1 2 262.784 3.845 20 30 CHEDLO C=CC[N@H+](CCC#N)C[C@@H](C)c1cccc(Cl)c1 ZINC000428846870 1120413832 /nfs/dbraw/zinc/41/38/32/1120413832.db2.gz SEDOQIIYGITIAB-CYBMUJFWSA-N 1 2 262.784 3.845 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1C#N ZINC000066852510 1120414673 /nfs/dbraw/zinc/41/46/73/1120414673.db2.gz AICBWSJDUITPNV-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1C#N ZINC000066852510 1120414675 /nfs/dbraw/zinc/41/46/75/1120414675.db2.gz AICBWSJDUITPNV-KXBFYZLASA-N 1 2 292.382 3.520 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1ncc(Cl)cc1Cl ZINC000181991976 1128918829 /nfs/dbraw/zinc/91/88/29/1128918829.db2.gz YPMRNIAYCCPFPJ-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1ncc(Cl)cc1Cl ZINC000181991976 1128918833 /nfs/dbraw/zinc/91/88/33/1128918833.db2.gz YPMRNIAYCCPFPJ-UHFFFAOYSA-N 1 2 259.180 3.786 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068766708 1120483846 /nfs/dbraw/zinc/48/38/46/1120483846.db2.gz MQWHPBYRDXCYCS-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766708 1120483849 /nfs/dbraw/zinc/48/38/49/1120483849.db2.gz MQWHPBYRDXCYCS-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@H]1CCc2c1cccc2Cl ZINC000428847354 1120494009 /nfs/dbraw/zinc/49/40/09/1120494009.db2.gz GCPRDKLEDHDRMO-HNNXBMFYSA-N 1 2 260.768 3.729 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@H]1CCc2c1cccc2Cl ZINC000428847354 1120494013 /nfs/dbraw/zinc/49/40/13/1120494013.db2.gz GCPRDKLEDHDRMO-HNNXBMFYSA-N 1 2 260.768 3.729 20 30 CHEDLO C=CCn1c(C2CC2)nn(C[NH+](CCC)CCC)c1=S ZINC000124349220 1120565415 /nfs/dbraw/zinc/56/54/15/1120565415.db2.gz LSROPRYWLVXFMQ-UHFFFAOYSA-N 1 2 294.468 3.557 20 30 CHEDLO C[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1Cl ZINC000162915339 1120697393 /nfs/dbraw/zinc/69/73/93/1120697393.db2.gz WTHIVBFSAIIBJH-UHFFFAOYSA-N 1 2 276.689 3.596 20 30 CHEDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1Cl ZINC000162915339 1120697395 /nfs/dbraw/zinc/69/73/95/1120697395.db2.gz WTHIVBFSAIIBJH-UHFFFAOYSA-N 1 2 276.689 3.596 20 30 CHEDLO CCc1cccc2cc(C[N@H+](CC)CCC#N)oc21 ZINC000596983062 1120817745 /nfs/dbraw/zinc/81/77/45/1120817745.db2.gz NAJXGBKGXITWAT-UHFFFAOYSA-N 1 2 256.349 3.731 20 30 CHEDLO CCc1cccc2cc(C[N@@H+](CC)CCC#N)oc21 ZINC000596983062 1120817749 /nfs/dbraw/zinc/81/77/49/1120817749.db2.gz NAJXGBKGXITWAT-UHFFFAOYSA-N 1 2 256.349 3.731 20 30 CHEDLO C=C(Br)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186955830 1121028739 /nfs/dbraw/zinc/02/87/39/1121028739.db2.gz WKWMUWXTXVOTOS-UHFFFAOYSA-N 1 2 286.238 3.836 20 30 CHEDLO CCCc1cc(N[C@H]2CC[C@H](C#N)CC2)nc(CCC)[nH+]1 ZINC001167842072 1121060272 /nfs/dbraw/zinc/06/02/72/1121060272.db2.gz DFEGRSVNRBKSFQ-HDJSIYSDSA-N 1 2 286.423 3.876 20 30 CHEDLO CCCCCCCCCN1CC[NH+](C2CC2)CC1 ZINC000191967534 1128963293 /nfs/dbraw/zinc/96/32/93/1128963293.db2.gz SYVDFRCPDTWQBG-UHFFFAOYSA-N 1 2 252.446 3.517 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)o1)c1ccc(F)c(F)c1 ZINC000893669522 1121157847 /nfs/dbraw/zinc/15/78/47/1121157847.db2.gz ZJKAXBXDQUSKLB-MRXNPFEDSA-N 1 2 293.313 3.973 20 30 CHEDLO Cc1nc2ccccc2nc1C[N@@H+](CCC#N)CCC(C)C ZINC000173546584 1121212598 /nfs/dbraw/zinc/21/25/98/1121212598.db2.gz AWXUFEUFHCJTJK-UHFFFAOYSA-N 1 2 296.418 3.700 20 30 CHEDLO Cc1nc2ccccc2nc1C[N@H+](CCC#N)CCC(C)C ZINC000173546584 1121212601 /nfs/dbraw/zinc/21/26/01/1121212601.db2.gz AWXUFEUFHCJTJK-UHFFFAOYSA-N 1 2 296.418 3.700 20 30 CHEDLO CN(C)c1ccc(Nc2c(C#N)ccc3ccccc32)c[nH+]1 ZINC001175341767 1121272905 /nfs/dbraw/zinc/27/29/05/1121272905.db2.gz KPWMXTIRXDKRJD-UHFFFAOYSA-N 1 2 288.354 3.916 20 30 CHEDLO CN(C)c1ccc(Nc2ccc(C#N)c(Cl)c2F)c[nH+]1 ZINC001175346721 1121273638 /nfs/dbraw/zinc/27/36/38/1121273638.db2.gz ZPOYGDHXMGODOP-UHFFFAOYSA-N 1 2 290.729 3.555 20 30 CHEDLO N#Cc1c(Cl)cccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349588 1121291887 /nfs/dbraw/zinc/29/18/87/1121291887.db2.gz AAXWSXLBRFIEQU-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO CCOc1cc(Nc2cc(F)cc(C#N)c2)cc(C)[nH+]1 ZINC001175683163 1121430333 /nfs/dbraw/zinc/43/03/33/1121430333.db2.gz ALCKLZZPUOOABB-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO N#Cc1cc(F)cc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001175684048 1121431250 /nfs/dbraw/zinc/43/12/50/1121431250.db2.gz XLEIFNOSJPPIEC-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CSc1ccc(C[N@H+](CCC#N)CCC(C)C)o1 ZINC000894003633 1121454297 /nfs/dbraw/zinc/45/42/97/1121454297.db2.gz ONRSHOZRFKJDTO-UHFFFAOYSA-N 1 2 266.410 3.763 20 30 CHEDLO CSc1ccc(C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000894003633 1121454299 /nfs/dbraw/zinc/45/42/99/1121454299.db2.gz ONRSHOZRFKJDTO-UHFFFAOYSA-N 1 2 266.410 3.763 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000509812665 1121617012 /nfs/dbraw/zinc/61/70/12/1121617012.db2.gz DECDFBVLHTWWAM-LBPRGKRZSA-N 1 2 286.350 3.986 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000509812665 1121617015 /nfs/dbraw/zinc/61/70/15/1121617015.db2.gz DECDFBVLHTWWAM-LBPRGKRZSA-N 1 2 286.350 3.986 20 30 CHEDLO CC[C@@H](C)Oc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC ZINC000611268540 1121633515 /nfs/dbraw/zinc/63/35/15/1121633515.db2.gz KLPSMZAONNQDGF-ZIAGYGMSSA-N 1 2 290.407 3.606 20 30 CHEDLO CC[C@@H](C)Oc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC ZINC000611268540 1121633518 /nfs/dbraw/zinc/63/35/18/1121633518.db2.gz KLPSMZAONNQDGF-ZIAGYGMSSA-N 1 2 290.407 3.606 20 30 CHEDLO CC[C@H](C)Oc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC ZINC000611268539 1121634297 /nfs/dbraw/zinc/63/42/97/1121634297.db2.gz KLPSMZAONNQDGF-KGLIPLIRSA-N 1 2 290.407 3.606 20 30 CHEDLO CC[C@H](C)Oc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC ZINC000611268539 1121634299 /nfs/dbraw/zinc/63/42/99/1121634299.db2.gz KLPSMZAONNQDGF-KGLIPLIRSA-N 1 2 290.407 3.606 20 30 CHEDLO COc1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)ccc1C#N ZINC000619674475 1129003191 /nfs/dbraw/zinc/00/31/91/1129003191.db2.gz DXNCBUWLHKYSGZ-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO COc1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)ccc1C#N ZINC000619674475 1129003196 /nfs/dbraw/zinc/00/31/96/1129003196.db2.gz DXNCBUWLHKYSGZ-QGZVFWFLSA-N 1 2 296.345 3.653 20 30 CHEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000619717276 1129007847 /nfs/dbraw/zinc/00/78/47/1129007847.db2.gz SJPIFOGMCFSZDA-SFHVURJKSA-N 1 2 295.382 3.513 20 30 CHEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000619717276 1129007851 /nfs/dbraw/zinc/00/78/51/1129007851.db2.gz SJPIFOGMCFSZDA-SFHVURJKSA-N 1 2 295.382 3.513 20 30 CHEDLO Clc1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000730146670 1121794721 /nfs/dbraw/zinc/79/47/21/1121794721.db2.gz DEFAHJOHFYLTJZ-UHFFFAOYSA-N 1 2 287.775 3.818 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cscn1 ZINC000619755364 1129010482 /nfs/dbraw/zinc/01/04/82/1129010482.db2.gz FVDWJNKYQLPXEE-VIFPVBQESA-N 1 2 277.780 3.519 20 30 CHEDLO CCCCCOc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731157336 1121851137 /nfs/dbraw/zinc/85/11/37/1121851137.db2.gz VRTDMIUEFLERNO-MDZDMXLPSA-N 1 2 284.359 3.875 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000345919508 1121929484 /nfs/dbraw/zinc/92/94/84/1121929484.db2.gz GXCODVLERPTFHY-AWEZNQCLSA-N 1 2 274.408 3.597 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000345919508 1121929490 /nfs/dbraw/zinc/92/94/90/1121929490.db2.gz GXCODVLERPTFHY-AWEZNQCLSA-N 1 2 274.408 3.597 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC001180199568 1121968288 /nfs/dbraw/zinc/96/82/88/1121968288.db2.gz VHFLRKOUEFXKHB-UHFFFAOYSA-N 1 2 269.335 3.849 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC001180199568 1121968292 /nfs/dbraw/zinc/96/82/92/1121968292.db2.gz VHFLRKOUEFXKHB-UHFFFAOYSA-N 1 2 269.335 3.849 20 30 CHEDLO C=CC[C@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000664256833 1122031224 /nfs/dbraw/zinc/03/12/24/1122031224.db2.gz RRTUJVHVZUPGHI-ZDUSSCGKSA-N 1 2 267.376 3.610 20 30 CHEDLO Fc1cc(F)cc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774375302 1122158083 /nfs/dbraw/zinc/15/80/83/1122158083.db2.gz QOJUIVQRVHBEPL-UHFFFAOYSA-N 1 2 287.313 3.987 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1Cl ZINC000775184054 1122471431 /nfs/dbraw/zinc/47/14/31/1122471431.db2.gz UJJGAUQTVCXLNM-MRVPVSSYSA-N 1 2 260.139 3.586 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(Cl)c1Cl ZINC000775184054 1122471436 /nfs/dbraw/zinc/47/14/36/1122471436.db2.gz UJJGAUQTVCXLNM-MRVPVSSYSA-N 1 2 260.139 3.586 20 30 CHEDLO CC(C)c1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000775337313 1122521534 /nfs/dbraw/zinc/52/15/34/1122521534.db2.gz DDCPCCCCYWKBHW-GFCCVEGCSA-N 1 2 269.348 3.520 20 30 CHEDLO C=C(C)Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC001190210196 1122529653 /nfs/dbraw/zinc/52/96/53/1122529653.db2.gz CAVSCBHQXAOVBU-UHFFFAOYSA-N 1 2 291.354 3.705 20 30 CHEDLO CCCCCCCNC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001191081145 1122570001 /nfs/dbraw/zinc/57/00/01/1122570001.db2.gz GTKVDGCNOVDTNP-UHFFFAOYSA-N 1 2 288.395 3.735 20 30 CHEDLO CCCCCCC[C@H](C)NC(=O)Nc1c[nH+]c(C)n1C ZINC001192920981 1122660717 /nfs/dbraw/zinc/66/07/17/1122660717.db2.gz IMHUGNKIQQAZJA-LBPRGKRZSA-N 1 2 280.416 3.599 20 30 CHEDLO N#CC1(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000469445653 1122782937 /nfs/dbraw/zinc/78/29/37/1122782937.db2.gz FJYTVLJURWFWID-UHFFFAOYSA-N 1 2 288.341 3.748 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC001194723026 1122798294 /nfs/dbraw/zinc/79/82/94/1122798294.db2.gz DLOFTKZUMNQGLJ-GFCCVEGCSA-N 1 2 277.795 3.509 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC001194723026 1122798298 /nfs/dbraw/zinc/79/82/98/1122798298.db2.gz DLOFTKZUMNQGLJ-GFCCVEGCSA-N 1 2 277.795 3.509 20 30 CHEDLO CCCCCCCCCOC(=O)N1CCn2c[nH+]cc2C1 ZINC001194913371 1122821280 /nfs/dbraw/zinc/82/12/80/1122821280.db2.gz AVCJYEDCLHKAGX-UHFFFAOYSA-N 1 2 293.411 3.586 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)o1 ZINC000426560394 1122822606 /nfs/dbraw/zinc/82/26/06/1122822606.db2.gz PPQGBEAPQXXNRG-SNVBAGLBSA-N 1 2 270.170 3.583 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)o1 ZINC000426560394 1122822612 /nfs/dbraw/zinc/82/26/12/1122822612.db2.gz PPQGBEAPQXXNRG-SNVBAGLBSA-N 1 2 270.170 3.583 20 30 CHEDLO C[N@H+](Cc1ccc(C(F)F)c(F)c1)CC(C)(C)C#N ZINC000894609714 1122879346 /nfs/dbraw/zinc/87/93/46/1122879346.db2.gz GXLWECGNZJAVQZ-UHFFFAOYSA-N 1 2 270.298 3.745 20 30 CHEDLO C[N@@H+](Cc1ccc(C(F)F)c(F)c1)CC(C)(C)C#N ZINC000894609714 1122879352 /nfs/dbraw/zinc/87/93/52/1122879352.db2.gz GXLWECGNZJAVQZ-UHFFFAOYSA-N 1 2 270.298 3.745 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@H]1c1ccncc1 ZINC000664834104 1122879675 /nfs/dbraw/zinc/87/96/75/1122879675.db2.gz UISMMWOJLJHXOB-SFHVURJKSA-N 1 2 294.373 3.655 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1c1ccncc1 ZINC000664834104 1122879677 /nfs/dbraw/zinc/87/96/77/1122879677.db2.gz UISMMWOJLJHXOB-SFHVURJKSA-N 1 2 294.373 3.655 20 30 CHEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000441164257 1123062176 /nfs/dbraw/zinc/06/21/76/1123062176.db2.gz FFJUBWZKWAWQHW-UHFFFAOYSA-N 1 2 279.836 3.519 20 30 CHEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000441164257 1123062179 /nfs/dbraw/zinc/06/21/79/1123062179.db2.gz FFJUBWZKWAWQHW-UHFFFAOYSA-N 1 2 279.836 3.519 20 30 CHEDLO CC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000441156549 1123063053 /nfs/dbraw/zinc/06/30/53/1123063053.db2.gz QXLJTPRNALYXSB-AWEZNQCLSA-N 1 2 279.836 3.519 20 30 CHEDLO CC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000441156549 1123063059 /nfs/dbraw/zinc/06/30/59/1123063059.db2.gz QXLJTPRNALYXSB-AWEZNQCLSA-N 1 2 279.836 3.519 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2cncc(C#N)c2)cc1 ZINC001201486972 1123107587 /nfs/dbraw/zinc/10/75/87/1123107587.db2.gz DFGWMRLAVVOAFF-UHFFFAOYSA-N 1 2 252.321 3.517 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(N)cc2C#N)cc1 ZINC001201498947 1123111709 /nfs/dbraw/zinc/11/17/09/1123111709.db2.gz HRLJAYDEKXDFTB-UHFFFAOYSA-N 1 2 266.348 3.704 20 30 CHEDLO Cc1[nH]c([C@H]2CCCN2c2cc(C)cc(F)c2C#N)[nH+]c1C ZINC000895194417 1123404628 /nfs/dbraw/zinc/40/46/28/1123404628.db2.gz CRZVIFHVLFEZIW-OAHLLOKOSA-N 1 2 298.365 3.687 20 30 CHEDLO N#Cc1ccc(Cl)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204990862 1123406625 /nfs/dbraw/zinc/40/66/25/1123406625.db2.gz HOSYVGIWUHYTDN-UHFFFAOYSA-N 1 2 268.707 3.603 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000194313791 1129132806 /nfs/dbraw/zinc/13/28/06/1129132806.db2.gz SFJMXLSMSYHVHD-WMXHQWKFSA-N 1 2 295.382 3.979 20 30 CHEDLO CCCCCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995693 1123627935 /nfs/dbraw/zinc/62/79/35/1123627935.db2.gz FLVFBERARWHQOF-UHFFFAOYSA-N 1 2 275.396 3.509 20 30 CHEDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428307841 1123643214 /nfs/dbraw/zinc/64/32/14/1123643214.db2.gz WUAUCMKWOYLSMD-QGZVFWFLSA-N 1 2 283.350 3.675 20 30 CHEDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428307841 1123643216 /nfs/dbraw/zinc/64/32/16/1123643216.db2.gz WUAUCMKWOYLSMD-QGZVFWFLSA-N 1 2 283.350 3.675 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cc(Cl)n(C)n1)Cc1ccccc1 ZINC000859284188 1123694456 /nfs/dbraw/zinc/69/44/56/1123694456.db2.gz KYEAKDUOPHYDNW-UHFFFAOYSA-N 1 2 289.810 3.652 20 30 CHEDLO C=C(C)C[N@H+](Cc1cc(Cl)n(C)n1)Cc1ccccc1 ZINC000859284188 1123694457 /nfs/dbraw/zinc/69/44/57/1123694457.db2.gz KYEAKDUOPHYDNW-UHFFFAOYSA-N 1 2 289.810 3.652 20 30 CHEDLO CC[N@@H+](CCC#N)CCSc1ccc(C)c(C)c1 ZINC000081020300 1129143202 /nfs/dbraw/zinc/14/32/02/1129143202.db2.gz QHYVCXXDWJEMMK-UHFFFAOYSA-N 1 2 262.422 3.631 20 30 CHEDLO CC[N@H+](CCC#N)CCSc1ccc(C)c(C)c1 ZINC000081020300 1129143207 /nfs/dbraw/zinc/14/32/07/1129143207.db2.gz QHYVCXXDWJEMMK-UHFFFAOYSA-N 1 2 262.422 3.631 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)c(C)s1 ZINC000119120800 1123831790 /nfs/dbraw/zinc/83/17/90/1123831790.db2.gz OQPCHUSDKBMUBX-VOTSOKGWSA-N 1 2 282.368 3.909 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000339052134 1123846967 /nfs/dbraw/zinc/84/69/67/1123846967.db2.gz KIMAGYWBWGEKEG-CYBMUJFWSA-N 1 2 271.408 3.638 20 30 CHEDLO Cc1nc(C(C)C)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000339052134 1123846971 /nfs/dbraw/zinc/84/69/71/1123846971.db2.gz KIMAGYWBWGEKEG-CYBMUJFWSA-N 1 2 271.408 3.638 20 30 CHEDLO C=CCCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301981490 1123947863 /nfs/dbraw/zinc/94/78/63/1123947863.db2.gz BCSJOUXAWRHXEJ-GFCCVEGCSA-N 1 2 287.411 3.738 20 30 CHEDLO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CC2 ZINC000866294836 1124048358 /nfs/dbraw/zinc/04/83/58/1124048358.db2.gz XCMRRYSJIMBGJV-FZKQIMNGSA-N 1 2 292.382 3.910 20 30 CHEDLO C#CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC000866309754 1124050503 /nfs/dbraw/zinc/05/05/03/1124050503.db2.gz AZAIMINYKXNWKJ-LNLFQRSKSA-N 1 2 295.357 3.812 20 30 CHEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000446765991 1124121642 /nfs/dbraw/zinc/12/16/42/1124121642.db2.gz QCVLBAOKSIYXJV-UHFFFAOYSA-N 1 2 289.300 3.587 20 30 CHEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000446765991 1124121643 /nfs/dbraw/zinc/12/16/43/1124121643.db2.gz QCVLBAOKSIYXJV-UHFFFAOYSA-N 1 2 289.300 3.587 20 30 CHEDLO C=CCCC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001119599982 1131258535 /nfs/dbraw/zinc/25/85/35/1131258535.db2.gz CFTQAPHRBKSXPP-NVXWUHKLSA-N 1 2 297.402 3.658 20 30 CHEDLO C=CCCC(C)(C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000665951005 1124718589 /nfs/dbraw/zinc/71/85/89/1124718589.db2.gz CDFCDDWYAZVHNH-UHFFFAOYSA-N 1 2 286.379 3.509 20 30 CHEDLO Cc1cccc2c1CC(C)(C)[N@H+](Cc1nc(C#N)cs1)C2 ZINC000449425482 1124733163 /nfs/dbraw/zinc/73/31/63/1124733163.db2.gz RXTMKLFZDLDBJI-UHFFFAOYSA-N 1 2 297.427 3.660 20 30 CHEDLO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000449425482 1124733172 /nfs/dbraw/zinc/73/31/72/1124733172.db2.gz RXTMKLFZDLDBJI-UHFFFAOYSA-N 1 2 297.427 3.660 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1c(Cl)cccc1Cl ZINC000124494807 1124765119 /nfs/dbraw/zinc/76/51/19/1124765119.db2.gz DXPQXVFCOCPDGX-UHFFFAOYSA-N 1 2 250.556 3.836 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000449642131 1124829467 /nfs/dbraw/zinc/82/94/67/1124829467.db2.gz WMJRCTSKGADAQW-HNNXBMFYSA-N 1 2 284.384 3.940 20 30 CHEDLO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000449642131 1124829473 /nfs/dbraw/zinc/82/94/73/1124829473.db2.gz WMJRCTSKGADAQW-HNNXBMFYSA-N 1 2 284.384 3.940 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)s1 ZINC000449638250 1124833607 /nfs/dbraw/zinc/83/36/07/1124833607.db2.gz JUUSWVFWVKPSNM-OAHLLOKOSA-N 1 2 284.384 3.940 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)s1 ZINC000449638250 1124833615 /nfs/dbraw/zinc/83/36/15/1124833615.db2.gz JUUSWVFWVKPSNM-OAHLLOKOSA-N 1 2 284.384 3.940 20 30 CHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000125220988 1124870620 /nfs/dbraw/zinc/87/06/20/1124870620.db2.gz LUGMSGGRDHLEDW-JXMROGBWSA-N 1 2 292.338 3.547 20 30 CHEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001307496125 1124952939 /nfs/dbraw/zinc/95/29/39/1124952939.db2.gz IVWJWNVHZHPCKQ-UHFFFAOYSA-N 1 2 299.723 3.817 20 30 CHEDLO C#CC[N@H+](CC#CC)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001307496125 1124952945 /nfs/dbraw/zinc/95/29/45/1124952945.db2.gz IVWJWNVHZHPCKQ-UHFFFAOYSA-N 1 2 299.723 3.817 20 30 CHEDLO N#CCC[C@@H]([NH2+]Cc1nc(Cl)cs1)c1ccccc1 ZINC000877115115 1125010881 /nfs/dbraw/zinc/01/08/81/1125010881.db2.gz BNOFLVSTPBASKA-GFCCVEGCSA-N 1 2 291.807 3.931 20 30 CHEDLO C=CCCCCC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450429170 1125017613 /nfs/dbraw/zinc/01/76/13/1125017613.db2.gz KSJINLMHVHFBLO-UHFFFAOYSA-N 1 2 265.426 3.594 20 30 CHEDLO C=CCCCCC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450429170 1125017619 /nfs/dbraw/zinc/01/76/19/1125017619.db2.gz KSJINLMHVHFBLO-UHFFFAOYSA-N 1 2 265.426 3.594 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)cc1OC ZINC000121125920 1125050143 /nfs/dbraw/zinc/05/01/43/1125050143.db2.gz NKEPQODBUSGBFS-UHFFFAOYSA-N 1 2 299.418 3.719 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1OC ZINC000121125920 1125050150 /nfs/dbraw/zinc/05/01/50/1125050150.db2.gz NKEPQODBUSGBFS-UHFFFAOYSA-N 1 2 299.418 3.719 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(C(F)(F)F)co1 ZINC000878121243 1125122648 /nfs/dbraw/zinc/12/26/48/1125122648.db2.gz IDRDLOZMKXIAJK-UHFFFAOYSA-N 1 2 274.286 3.670 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(C(F)(F)F)co1 ZINC000878121243 1125122653 /nfs/dbraw/zinc/12/26/53/1125122653.db2.gz IDRDLOZMKXIAJK-UHFFFAOYSA-N 1 2 274.286 3.670 20 30 CHEDLO N#CCC[N@@H+](Cc1ccco1)CC1CC2(CCC2)C1 ZINC000878159242 1125124889 /nfs/dbraw/zinc/12/48/89/1125124889.db2.gz GQBONFQFEQUQCF-UHFFFAOYSA-N 1 2 258.365 3.576 20 30 CHEDLO N#CCC[N@H+](Cc1ccco1)CC1CC2(CCC2)C1 ZINC000878159242 1125124891 /nfs/dbraw/zinc/12/48/91/1125124891.db2.gz GQBONFQFEQUQCF-UHFFFAOYSA-N 1 2 258.365 3.576 20 30 CHEDLO C=CC(C)(C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000878345918 1125143863 /nfs/dbraw/zinc/14/38/63/1125143863.db2.gz TZIICSBPEGTXFZ-UHFFFAOYSA-N 1 2 287.338 3.552 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000530902558 1125186031 /nfs/dbraw/zinc/18/60/31/1125186031.db2.gz LXZHWYYXMVYUER-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000530902558 1125186035 /nfs/dbraw/zinc/18/60/35/1125186035.db2.gz LXZHWYYXMVYUER-ZDUSSCGKSA-N 1 2 280.346 3.817 20 30 CHEDLO C[N@H+](Cc1cscc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000880360300 1125266686 /nfs/dbraw/zinc/26/66/86/1125266686.db2.gz TWSCQOOOGDXKJA-ONGXEEELSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1cscc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000880360300 1125266687 /nfs/dbraw/zinc/26/66/87/1125266687.db2.gz TWSCQOOOGDXKJA-ONGXEEELSA-N 1 2 299.237 3.635 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577302 1125280406 /nfs/dbraw/zinc/28/04/06/1125280406.db2.gz IRQDSFFQOQWDJG-RTBURBONSA-N 1 2 298.430 3.780 20 30 CHEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577302 1125280409 /nfs/dbraw/zinc/28/04/09/1125280409.db2.gz IRQDSFFQOQWDJG-RTBURBONSA-N 1 2 298.430 3.780 20 30 CHEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136514 1125302185 /nfs/dbraw/zinc/30/21/85/1125302185.db2.gz ZABRYNFXQVITFC-HOTGVXAUSA-N 1 2 297.389 3.512 20 30 CHEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136514 1125302192 /nfs/dbraw/zinc/30/21/92/1125302192.db2.gz ZABRYNFXQVITFC-HOTGVXAUSA-N 1 2 297.389 3.512 20 30 CHEDLO Cc1cc(N[C@H](C)c2ccc(C#N)cc2F)c[nH+]c1C ZINC000883342649 1125398389 /nfs/dbraw/zinc/39/83/89/1125398389.db2.gz GZPOSZHOOKHNFH-GFCCVEGCSA-N 1 2 269.323 3.882 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)c(F)c1 ZINC000883382302 1125406921 /nfs/dbraw/zinc/40/69/21/1125406921.db2.gz DKVJQRFBRKXWFV-WMZOPIPTSA-N 1 2 298.336 3.813 20 30 CHEDLO Cc1ccc2c(Nc3cc(C#N)ccn3)cccc2[nH+]1 ZINC001212794056 1125411441 /nfs/dbraw/zinc/41/14/41/1125411441.db2.gz GWVSYXRBUPTTQJ-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO N#CCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000103468836 1125430864 /nfs/dbraw/zinc/43/08/64/1125430864.db2.gz BUXIPMJPHQHKPH-UHFFFAOYSA-N 1 2 289.766 3.574 20 30 CHEDLO N#CCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385481 1125454427 /nfs/dbraw/zinc/45/44/27/1125454427.db2.gz UYDQRQHSVHYOJY-MRXNPFEDSA-N 1 2 253.349 3.609 20 30 CHEDLO N#CCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385481 1125454432 /nfs/dbraw/zinc/45/44/32/1125454432.db2.gz UYDQRQHSVHYOJY-MRXNPFEDSA-N 1 2 253.349 3.609 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CC2Cc3ccccc3C2)c(O)c1 ZINC000735228506 1129335260 /nfs/dbraw/zinc/33/52/60/1129335260.db2.gz CLJGWSQNWAZQMR-DEDYPNTBSA-N 1 2 295.382 3.625 20 30 CHEDLO CC(C)[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC(F)F ZINC000092045281 1129378614 /nfs/dbraw/zinc/37/86/14/1129378614.db2.gz CDXYUNRDRZHENI-UHFFFAOYSA-N 1 2 295.377 3.512 20 30 CHEDLO CC(C)[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC(F)F ZINC000092045281 1129378618 /nfs/dbraw/zinc/37/86/18/1129378618.db2.gz CDXYUNRDRZHENI-UHFFFAOYSA-N 1 2 295.377 3.512 20 30 CHEDLO CCOc1cccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000740765126 1129418932 /nfs/dbraw/zinc/41/89/32/1129418932.db2.gz QJFKIHPQRMKWMU-KTKRTIGZSA-N 1 2 292.338 3.629 20 30 CHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000742384017 1129473108 /nfs/dbraw/zinc/47/31/08/1129473108.db2.gz YHJVBDSKXXNGFY-UHFFFAOYSA-N 1 2 292.716 3.780 20 30 CHEDLO C=CCC[N@@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645885782 1129511020 /nfs/dbraw/zinc/51/10/20/1129511020.db2.gz FWUSFDWTWJKXLG-UHFFFAOYSA-N 1 2 295.745 3.537 20 30 CHEDLO C=CCC[N@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645885782 1129511023 /nfs/dbraw/zinc/51/10/23/1129511023.db2.gz FWUSFDWTWJKXLG-UHFFFAOYSA-N 1 2 295.745 3.537 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cc(C(C)C)no1 ZINC001168823321 1129674770 /nfs/dbraw/zinc/67/47/70/1129674770.db2.gz MIXVVVGCARQXKX-UHFFFAOYSA-N 1 2 271.364 3.842 20 30 CHEDLO C=CCC[C@@H](Nc1cc(COC)cc[nH+]1)c1ccco1 ZINC000652330582 1129763497 /nfs/dbraw/zinc/76/34/97/1129763497.db2.gz JZAAWFILXGAEFR-CQSZACIVSA-N 1 2 272.348 3.940 20 30 CHEDLO C#CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000766896332 1129768619 /nfs/dbraw/zinc/76/86/19/1129768619.db2.gz RCVSTGAZHIFPCV-OAHLLOKOSA-N 1 2 298.213 3.780 20 30 CHEDLO C#CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000766896332 1129768622 /nfs/dbraw/zinc/76/86/22/1129768622.db2.gz RCVSTGAZHIFPCV-OAHLLOKOSA-N 1 2 298.213 3.780 20 30 CHEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](CCC#N)CC(C)C ZINC000768153859 1129836774 /nfs/dbraw/zinc/83/67/74/1129836774.db2.gz NDUAEHOBCAUMPZ-UHFFFAOYSA-N 1 2 296.418 3.552 20 30 CHEDLO Cc1nn(-c2ccccc2)cc1C[N@H+](CCC#N)CC(C)C ZINC000768153859 1129836780 /nfs/dbraw/zinc/83/67/80/1129836780.db2.gz NDUAEHOBCAUMPZ-UHFFFAOYSA-N 1 2 296.418 3.552 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)cnc1Cl ZINC000769335916 1129902944 /nfs/dbraw/zinc/90/29/44/1129902944.db2.gz UYVAHVVKKLAGHU-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)cnc1Cl ZINC000769335916 1129902946 /nfs/dbraw/zinc/90/29/46/1129902946.db2.gz UYVAHVVKKLAGHU-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901416643 1129922874 /nfs/dbraw/zinc/92/28/74/1129922874.db2.gz YCVNCACRPIQKBQ-HJWRWDBZSA-N 1 2 254.333 3.669 20 30 CHEDLO CC(C)Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901429887 1129924511 /nfs/dbraw/zinc/92/45/11/1129924511.db2.gz FGRPMDXDMJDNKG-HJWRWDBZSA-N 1 2 268.360 3.515 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000769920700 1129929711 /nfs/dbraw/zinc/92/97/11/1129929711.db2.gz XISPWLSEESRLIK-LBPRGKRZSA-N 1 2 276.792 3.651 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc2c(s1)CCCC2 ZINC000901486290 1129929805 /nfs/dbraw/zinc/92/98/05/1129929805.db2.gz ZUXITUHRCFDHFG-FPLPWBNLSA-N 1 2 286.400 3.739 20 30 CHEDLO CC(C)c1nc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cs1 ZINC000901490166 1129930160 /nfs/dbraw/zinc/93/01/60/1129930160.db2.gz NMFBPYHYALJJCI-AATRIKPKSA-N 1 2 289.404 3.940 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/CCc2ccc(Cl)cc2C1=O ZINC000901489494 1129930381 /nfs/dbraw/zinc/93/03/81/1129930381.db2.gz KMJYVVAORSWPFD-GHXNOFRVSA-N 1 2 286.762 3.769 20 30 CHEDLO Cc1ccc(F)c(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901489641 1129930507 /nfs/dbraw/zinc/93/05/07/1129930507.db2.gz MZSZCPRJGBRTCF-ALCCZGGFSA-N 1 2 272.323 3.808 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2c(F)cccc2C1=O ZINC000901543711 1129935261 /nfs/dbraw/zinc/93/52/61/1129935261.db2.gz KESFTXAWPRXUAK-XYOKQWHBSA-N 1 2 284.334 3.816 20 30 CHEDLO C=C(Br)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000771463021 1129980950 /nfs/dbraw/zinc/98/09/50/1129980950.db2.gz NLDYZTJXFQQHFE-JTQLQIEISA-N 1 2 266.182 3.514 20 30 CHEDLO C=C(Br)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000771463021 1129980953 /nfs/dbraw/zinc/98/09/53/1129980953.db2.gz NLDYZTJXFQQHFE-JTQLQIEISA-N 1 2 266.182 3.514 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785998823 1130073081 /nfs/dbraw/zinc/07/30/81/1130073081.db2.gz OCVGFBVEKFEYOV-LBPRGKRZSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000785998823 1130073087 /nfs/dbraw/zinc/07/30/87/1130073087.db2.gz OCVGFBVEKFEYOV-LBPRGKRZSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C(Cl)C[N@@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000786177466 1130082280 /nfs/dbraw/zinc/08/22/80/1130082280.db2.gz DHTCTRLODAECEQ-CYBMUJFWSA-N 1 2 274.191 3.712 20 30 CHEDLO C=C(Cl)C[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000786177466 1130082288 /nfs/dbraw/zinc/08/22/88/1130082288.db2.gz DHTCTRLODAECEQ-CYBMUJFWSA-N 1 2 274.191 3.712 20 30 CHEDLO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100502 1130112679 /nfs/dbraw/zinc/11/26/79/1130112679.db2.gz QKAOPNDQQQSIDZ-JTQLQIEISA-N 1 2 266.772 3.549 20 30 CHEDLO Cn1c[nH+]cc1-c1ccc(-c2cc(F)c(C#N)c(F)c2)cc1 ZINC001239931397 1130156645 /nfs/dbraw/zinc/15/66/45/1130156645.db2.gz QRVRJVAUVWWRKH-UHFFFAOYSA-N 1 2 295.292 3.904 20 30 CHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2cccs2)n1 ZINC000787997997 1130168301 /nfs/dbraw/zinc/16/83/01/1130168301.db2.gz VCRFQGDKZPFEPG-UHFFFAOYSA-N 1 2 276.430 3.715 20 30 CHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2cccs2)n1 ZINC000787997997 1130168303 /nfs/dbraw/zinc/16/83/03/1130168303.db2.gz VCRFQGDKZPFEPG-UHFFFAOYSA-N 1 2 276.430 3.715 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccs3)n21 ZINC000748994891 1130258450 /nfs/dbraw/zinc/25/84/50/1130258450.db2.gz UNBWTHIQNZPIFE-FPLPWBNLSA-N 1 2 268.341 3.600 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccsc3)n21 ZINC000748996847 1130259237 /nfs/dbraw/zinc/25/92/37/1130259237.db2.gz BISBNWCKSLHBRV-AATRIKPKSA-N 1 2 268.341 3.600 20 30 CHEDLO C=C[C@H](CC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000677549162 1130316548 /nfs/dbraw/zinc/31/65/48/1130316548.db2.gz GVCCXVRBPXZTSM-CQSZACIVSA-N 1 2 291.354 3.633 20 30 CHEDLO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000677818467 1130333992 /nfs/dbraw/zinc/33/39/92/1130333992.db2.gz OWTMHKQHKSVWOY-HNNXBMFYSA-N 1 2 298.213 3.780 20 30 CHEDLO COCC#CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000677818467 1130333998 /nfs/dbraw/zinc/33/39/98/1130333998.db2.gz OWTMHKQHKSVWOY-HNNXBMFYSA-N 1 2 298.213 3.780 20 30 CHEDLO CC(C)C[N@H+](CCC#N)Cc1c(O)ccc(Cl)c1F ZINC000792157317 1130434707 /nfs/dbraw/zinc/43/47/07/1130434707.db2.gz TXALFNHNTGMICN-UHFFFAOYSA-N 1 2 284.762 3.556 20 30 CHEDLO CC(C)C[N@@H+](CCC#N)Cc1c(O)ccc(Cl)c1F ZINC000792157317 1130434708 /nfs/dbraw/zinc/43/47/08/1130434708.db2.gz TXALFNHNTGMICN-UHFFFAOYSA-N 1 2 284.762 3.556 20 30 CHEDLO C#CC1CC[NH+](Cc2c(Cl)ccc(F)c2Cl)CC1 ZINC001137359115 1130483456 /nfs/dbraw/zinc/48/34/56/1130483456.db2.gz JYYGRXQJNXOXPT-UHFFFAOYSA-N 1 2 286.177 3.978 20 30 CHEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC000679228567 1130505997 /nfs/dbraw/zinc/50/59/97/1130505997.db2.gz XUNWBVPWJSAJIW-IUODEOHRSA-N 1 2 299.311 3.737 20 30 CHEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC000679228567 1130506000 /nfs/dbraw/zinc/50/60/00/1130506000.db2.gz XUNWBVPWJSAJIW-IUODEOHRSA-N 1 2 299.311 3.737 20 30 CHEDLO CC(=NN[C@H](C)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000793111300 1130519859 /nfs/dbraw/zinc/51/98/59/1130519859.db2.gz FRCGJIIWICFVSL-CQSZACIVSA-N 1 2 284.407 3.621 20 30 CHEDLO C#CC[N@H+](Cc1scnc1C1CC1)Cc1ccccc1 ZINC000809715798 1130539743 /nfs/dbraw/zinc/53/97/43/1130539743.db2.gz GPQXKGKTWOHRQT-UHFFFAOYSA-N 1 2 282.412 3.656 20 30 CHEDLO C#CC[N@@H+](Cc1scnc1C1CC1)Cc1ccccc1 ZINC000809715798 1130539747 /nfs/dbraw/zinc/53/97/47/1130539747.db2.gz GPQXKGKTWOHRQT-UHFFFAOYSA-N 1 2 282.412 3.656 20 30 CHEDLO CN(C)c1ccc(C=[NH+]OCc2ccc(F)cc2)s1 ZINC000758145246 1130601667 /nfs/dbraw/zinc/60/16/67/1130601667.db2.gz YVGMRTXXNPEXLD-UHFFFAOYSA-N 1 2 278.352 3.504 20 30 CHEDLO C#CCCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000758358469 1130607531 /nfs/dbraw/zinc/60/75/31/1130607531.db2.gz JOBHLKWRKHGFTK-AQTBWJFISA-N 1 2 251.329 3.768 20 30 CHEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000796641348 1130675549 /nfs/dbraw/zinc/67/55/49/1130675549.db2.gz PDUHGXILAHYETR-UHFFFAOYSA-N 1 2 294.785 3.847 20 30 CHEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000796641348 1130675554 /nfs/dbraw/zinc/67/55/54/1130675554.db2.gz PDUHGXILAHYETR-UHFFFAOYSA-N 1 2 294.785 3.847 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(C)ccc1OC)c1ccc(F)cc1 ZINC000812792508 1130711855 /nfs/dbraw/zinc/71/18/55/1130711855.db2.gz BABXRCGQONGZQA-QGZVFWFLSA-N 1 2 283.346 3.607 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235122925 1130712728 /nfs/dbraw/zinc/71/27/28/1130712728.db2.gz RLDOOBFUFGSCJJ-INIZCTEOSA-N 1 2 293.370 3.609 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235122925 1130712731 /nfs/dbraw/zinc/71/27/31/1130712731.db2.gz RLDOOBFUFGSCJJ-INIZCTEOSA-N 1 2 293.370 3.609 20 30 CHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1occc1C ZINC000813791128 1130784664 /nfs/dbraw/zinc/78/46/64/1130784664.db2.gz USOCRXWEPDEDDT-UHFFFAOYSA-N 1 2 289.762 3.543 20 30 CHEDLO N#CCOc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001212607923 1130905537 /nfs/dbraw/zinc/90/55/37/1130905537.db2.gz GVIWINMSGWOFFC-UHFFFAOYSA-N 1 2 290.326 3.518 20 30 CHEDLO CCC(=[NH+]O[C@H]1CCCCO1)c1ccc(Cl)c(N)c1 ZINC000814888406 1130929664 /nfs/dbraw/zinc/92/96/64/1130929664.db2.gz YYMNLOWHOCGHNK-AWEZNQCLSA-N 1 2 282.771 3.580 20 30 CHEDLO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(Cl)c(N)c1 ZINC000814900558 1130931928 /nfs/dbraw/zinc/93/19/28/1130931928.db2.gz YLLOWAYEJCTHJV-UHFFFAOYSA-N 1 2 299.765 3.635 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)c(F)c1F)c1ccc(N)cc1 ZINC000814945396 1130943987 /nfs/dbraw/zinc/94/39/87/1130943987.db2.gz BLAUSSBZVXUDDK-UHFFFAOYSA-N 1 2 279.265 3.522 20 30 CHEDLO C=CC[N@H+](Cc1ccc(OC)c(Cl)c1O)C(C)(C)C ZINC001236810847 1131010501 /nfs/dbraw/zinc/01/05/01/1131010501.db2.gz YBMJSQSGQVFMHF-UHFFFAOYSA-N 1 2 283.799 3.841 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(OC)c(Cl)c1O)C(C)(C)C ZINC001236810847 1131010499 /nfs/dbraw/zinc/01/04/99/1131010499.db2.gz YBMJSQSGQVFMHF-UHFFFAOYSA-N 1 2 283.799 3.841 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2c(F)cc(F)cc2nc1Cl ZINC001236882211 1131027634 /nfs/dbraw/zinc/02/76/34/1131027634.db2.gz RYBUTXJXIGDNNO-UHFFFAOYSA-N 1 2 282.721 3.784 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237006958 1131037036 /nfs/dbraw/zinc/03/70/36/1131037036.db2.gz MHLFEKUGSMLFER-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237006958 1131037041 /nfs/dbraw/zinc/03/70/41/1131037041.db2.gz MHLFEKUGSMLFER-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C=CC[NH+](CC=C)Cc1c(O)ccc(Cl)c1Cl ZINC001237081457 1131048136 /nfs/dbraw/zinc/04/81/36/1131048136.db2.gz LCMVFBJAFLHFCH-UHFFFAOYSA-N 1 2 272.175 3.873 20 30 CHEDLO C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816598503 1131114014 /nfs/dbraw/zinc/11/40/14/1131114014.db2.gz FTMPIOYQHJRLJO-SNVBAGLBSA-N 1 2 257.736 3.629 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237664214 1131125200 /nfs/dbraw/zinc/12/52/00/1131125200.db2.gz XTEHKKPBCVHAMZ-UHFFFAOYSA-N 1 2 286.325 3.977 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237664214 1131125206 /nfs/dbraw/zinc/12/52/06/1131125206.db2.gz XTEHKKPBCVHAMZ-UHFFFAOYSA-N 1 2 286.325 3.977 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1scnc1Br ZINC001238032122 1131163231 /nfs/dbraw/zinc/16/32/31/1131163231.db2.gz HYTFTGHGNAERTK-UHFFFAOYSA-N 1 2 289.242 3.694 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1scnc1Br ZINC001238032122 1131163232 /nfs/dbraw/zinc/16/32/32/1131163232.db2.gz HYTFTGHGNAERTK-UHFFFAOYSA-N 1 2 289.242 3.694 20 30 CHEDLO N#Cc1ccc(N[NH2+]C=CC(F)(F)F)cc1C(F)(F)F ZINC000817326843 1131153630 /nfs/dbraw/zinc/15/36/30/1131153630.db2.gz XRSVKSWTEQHNEL-UHFFFAOYSA-N 1 2 295.186 3.927 20 30 CHEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1csc(Cl)c1 ZINC001117352087 1131186080 /nfs/dbraw/zinc/18/60/80/1131186080.db2.gz YZOHAYIXCDKUGP-AATRIKPKSA-N 1 2 292.791 3.759 20 30 CHEDLO Cc1cc(C)c(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1C ZINC001117352063 1131186106 /nfs/dbraw/zinc/18/61/06/1131186106.db2.gz YJSYBTAPCLHLBW-CMDGGOBGSA-N 1 2 294.398 3.969 20 30 CHEDLO C#CC[N@@H+](C)Cc1ccc(C(C)C)cc1Br ZINC001238266480 1131188724 /nfs/dbraw/zinc/18/87/24/1131188724.db2.gz JLBOUCQWYSDUDQ-UHFFFAOYSA-N 1 2 280.209 3.638 20 30 CHEDLO C#CC[N@H+](C)Cc1ccc(C(C)C)cc1Br ZINC001238266480 1131188725 /nfs/dbraw/zinc/18/87/25/1131188725.db2.gz JLBOUCQWYSDUDQ-UHFFFAOYSA-N 1 2 280.209 3.638 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079893 1131462650 /nfs/dbraw/zinc/46/26/50/1131462650.db2.gz FKYIFJRAIGKVEE-SFHVURJKSA-N 1 2 292.382 3.611 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138079893 1131462652 /nfs/dbraw/zinc/46/26/52/1131462652.db2.gz FKYIFJRAIGKVEE-SFHVURJKSA-N 1 2 292.382 3.611 20 30 CHEDLO N#CCC[N@H+](Cc1cnn(-c2ccccc2)c1)C1CCCC1 ZINC001138601334 1131526123 /nfs/dbraw/zinc/52/61/23/1131526123.db2.gz DMSZPTXVNLXPCY-UHFFFAOYSA-N 1 2 294.402 3.531 20 30 CHEDLO N#CCC[N@@H+](Cc1cnn(-c2ccccc2)c1)C1CCCC1 ZINC001138601334 1131526125 /nfs/dbraw/zinc/52/61/25/1131526125.db2.gz DMSZPTXVNLXPCY-UHFFFAOYSA-N 1 2 294.402 3.531 20 30 CHEDLO COc1c(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001143847645 1131536935 /nfs/dbraw/zinc/53/69/35/1131536935.db2.gz UPTBXMVSRIAACY-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO COc1c(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001143847645 1131536938 /nfs/dbraw/zinc/53/69/38/1131536938.db2.gz UPTBXMVSRIAACY-NSHDSACASA-N 1 2 296.773 3.613 20 30 CHEDLO C#CC1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143867146 1131543371 /nfs/dbraw/zinc/54/33/71/1131543371.db2.gz ZEFQXHPLXMYZMO-UHFFFAOYSA-N 1 2 286.177 3.978 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccccc1OC(F)F ZINC001138908688 1131559800 /nfs/dbraw/zinc/55/98/00/1131559800.db2.gz KVYVJFYTWZVNKH-UHFFFAOYSA-N 1 2 282.334 3.804 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1OC(F)F ZINC001138908688 1131559804 /nfs/dbraw/zinc/55/98/04/1131559804.db2.gz KVYVJFYTWZVNKH-UHFFFAOYSA-N 1 2 282.334 3.804 20 30 CHEDLO CCCCc1nc(Cl)c(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC001139181405 1131592411 /nfs/dbraw/zinc/59/24/11/1131592411.db2.gz UHUALHJUXLSJTD-UHFFFAOYSA-N 1 2 294.830 3.531 20 30 CHEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1C(C)C ZINC001139621919 1131623369 /nfs/dbraw/zinc/62/33/69/1131623369.db2.gz QXHQWKAYAOSPSH-HNNXBMFYSA-N 1 2 272.392 3.554 20 30 CHEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1C(C)C ZINC001139621919 1131623370 /nfs/dbraw/zinc/62/33/70/1131623370.db2.gz QXHQWKAYAOSPSH-HNNXBMFYSA-N 1 2 272.392 3.554 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC001139686983 1131629403 /nfs/dbraw/zinc/62/94/03/1131629403.db2.gz JGEPQSODBWSTIS-UHFFFAOYSA-N 1 2 284.737 3.833 20 30 CHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001139686983 1131629405 /nfs/dbraw/zinc/62/94/05/1131629405.db2.gz JGEPQSODBWSTIS-UHFFFAOYSA-N 1 2 284.737 3.833 20 30 CHEDLO C#Cc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC001144578507 1131660845 /nfs/dbraw/zinc/66/08/45/1131660845.db2.gz DYDPZBGRYUCGNC-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C#Cc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC001144578507 1131660846 /nfs/dbraw/zinc/66/08/46/1131660846.db2.gz DYDPZBGRYUCGNC-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCCC(F)(F)C1 ZINC001171204348 1131677843 /nfs/dbraw/zinc/67/78/43/1131677843.db2.gz WEJYOFYTNIJONZ-ZDUSSCGKSA-N 1 2 278.346 3.610 20 30 CHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCCC(F)(F)C1 ZINC001171204348 1131677845 /nfs/dbraw/zinc/67/78/45/1131677845.db2.gz WEJYOFYTNIJONZ-ZDUSSCGKSA-N 1 2 278.346 3.610 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140454030 1131744652 /nfs/dbraw/zinc/74/46/52/1131744652.db2.gz SBDJHUNUAPUANO-CYBMUJFWSA-N 1 2 283.400 3.546 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140454030 1131744657 /nfs/dbraw/zinc/74/46/57/1131744657.db2.gz SBDJHUNUAPUANO-CYBMUJFWSA-N 1 2 283.400 3.546 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140546743 1131788657 /nfs/dbraw/zinc/78/86/57/1131788657.db2.gz SJMRTLAXEHGBFK-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140546743 1131788661 /nfs/dbraw/zinc/78/86/61/1131788661.db2.gz SJMRTLAXEHGBFK-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO CC[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1Cl ZINC001140602690 1131823122 /nfs/dbraw/zinc/82/31/22/1131823122.db2.gz OEZCNSQZMAHWFI-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1Cl ZINC001140602690 1131823127 /nfs/dbraw/zinc/82/31/27/1131823127.db2.gz OEZCNSQZMAHWFI-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C=CCC(C)(C)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835463043 1131846745 /nfs/dbraw/zinc/84/67/45/1131846745.db2.gz OLZTWCNLLVPANN-UHFFFAOYSA-N 1 2 298.386 3.691 20 30 CHEDLO Cc1nc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c(C)s1 ZINC000773030850 1131922979 /nfs/dbraw/zinc/92/29/79/1131922979.db2.gz VVCICAHXVAHMHJ-SECBINFHSA-N 1 2 289.379 3.622 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141119528 1132023977 /nfs/dbraw/zinc/02/39/77/1132023977.db2.gz PZAHCTHKUMYVRS-UHFFFAOYSA-N 1 2 283.350 3.623 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141119528 1132023983 /nfs/dbraw/zinc/02/39/83/1132023983.db2.gz PZAHCTHKUMYVRS-UHFFFAOYSA-N 1 2 283.350 3.623 20 30 CHEDLO C=CC[N@H+](Cc1ncc(Cl)nc1Cl)C(C)(C)C ZINC001141137859 1132026299 /nfs/dbraw/zinc/02/62/99/1132026299.db2.gz RCIXUJJKWCBHMQ-UHFFFAOYSA-N 1 2 274.195 3.570 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(Cl)nc1Cl)C(C)(C)C ZINC001141137859 1132026306 /nfs/dbraw/zinc/02/63/06/1132026306.db2.gz RCIXUJJKWCBHMQ-UHFFFAOYSA-N 1 2 274.195 3.570 20 30 CHEDLO CCCCCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000837104024 1132036108 /nfs/dbraw/zinc/03/61/08/1132036108.db2.gz PVGJJQDYZKRWDP-UHFFFAOYSA-N 1 2 262.397 3.675 20 30 CHEDLO N#C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001229950860 1132135428 /nfs/dbraw/zinc/13/54/28/1132135428.db2.gz NYXLOEXZDUMLNA-KRWDZBQOSA-N 1 2 275.311 3.516 20 30 CHEDLO C=C[C@H](CCCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920551 1132227587 /nfs/dbraw/zinc/22/75/87/1132227587.db2.gz PCGZZGGATXDIIB-OAHLLOKOSA-N 1 2 273.376 3.881 20 30 CHEDLO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001172497452 1132248697 /nfs/dbraw/zinc/24/86/97/1132248697.db2.gz CDPNXNPFFSQPGF-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H](CCCC#N)[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001172497452 1132248701 /nfs/dbraw/zinc/24/87/01/1132248701.db2.gz CDPNXNPFFSQPGF-BBRMVZONSA-N 1 2 292.810 3.796 20 30 CHEDLO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172500606 1132249503 /nfs/dbraw/zinc/24/95/03/1132249503.db2.gz AXKAOTUASWOTBO-ILXRZTDVSA-N 1 2 267.413 3.515 20 30 CHEDLO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172500606 1132249510 /nfs/dbraw/zinc/24/95/10/1132249510.db2.gz AXKAOTUASWOTBO-ILXRZTDVSA-N 1 2 267.413 3.515 20 30 CHEDLO Cn1c[nH+]cc1-c1ccc(O[C@@H](C#N)c2ccccc2)cc1 ZINC001231078277 1132251695 /nfs/dbraw/zinc/25/16/95/1132251695.db2.gz AHVDBLACDAXHGR-SFHVURJKSA-N 1 2 289.338 3.731 20 30 CHEDLO C#C[C@H](CC(C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082009 1132253727 /nfs/dbraw/zinc/25/37/27/1132253727.db2.gz QHILQHOFFZDGHN-CQSZACIVSA-N 1 2 254.333 3.503 20 30 CHEDLO N#C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(F)c1 ZINC001231085703 1132254557 /nfs/dbraw/zinc/25/45/57/1132254557.db2.gz XXTILFFNUFFEOS-MRXNPFEDSA-N 1 2 293.301 3.859 20 30 CHEDLO N#C[C@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565182 1132270082 /nfs/dbraw/zinc/27/00/82/1132270082.db2.gz SOOODXFUPUDQCP-IXDOHACOSA-N 1 2 254.377 3.701 20 30 CHEDLO N#C[C@H]1CCCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565182 1132270085 /nfs/dbraw/zinc/27/00/85/1132270085.db2.gz SOOODXFUPUDQCP-IXDOHACOSA-N 1 2 254.377 3.701 20 30 CHEDLO C=C(C)c1ccccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212670394 1132274678 /nfs/dbraw/zinc/27/46/78/1132274678.db2.gz VQHZKXPMZBREMU-UHFFFAOYSA-N 1 2 294.398 3.640 20 30 CHEDLO N#CCC1C[NH+](Cc2sccc2Oc2ccccc2)C1 ZINC001141994291 1132289313 /nfs/dbraw/zinc/28/93/13/1132289313.db2.gz GLSQYLHOOXHRQN-UHFFFAOYSA-N 1 2 284.384 3.886 20 30 CHEDLO C[C@@H](C#N)[N@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172824732 1132321723 /nfs/dbraw/zinc/32/17/23/1132321723.db2.gz INNUHSPICCYSLP-OOHWJJMZSA-N 1 2 256.393 3.632 20 30 CHEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172824732 1132321733 /nfs/dbraw/zinc/32/17/33/1132321733.db2.gz INNUHSPICCYSLP-OOHWJJMZSA-N 1 2 256.393 3.632 20 30 CHEDLO C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)CCC#N ZINC001172879273 1132356302 /nfs/dbraw/zinc/35/63/02/1132356302.db2.gz XZSOQONHSLOYEV-LLVKDONJSA-N 1 2 268.813 3.666 20 30 CHEDLO C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)CCC#N ZINC001172879273 1132356309 /nfs/dbraw/zinc/35/63/09/1132356309.db2.gz XZSOQONHSLOYEV-LLVKDONJSA-N 1 2 268.813 3.666 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cc(OC)cc2Cl)C1 ZINC001142293431 1132361713 /nfs/dbraw/zinc/36/17/13/1132361713.db2.gz SBSSUCWRBKDGFW-NSHDSACASA-N 1 2 298.213 3.847 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cc(OC)cc2Cl)C1 ZINC001142293431 1132361722 /nfs/dbraw/zinc/36/17/22/1132361722.db2.gz SBSSUCWRBKDGFW-NSHDSACASA-N 1 2 298.213 3.847 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1Cl ZINC001232115564 1132424168 /nfs/dbraw/zinc/42/41/68/1132424168.db2.gz UTMRZXRDXALMKL-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)cc1Cl ZINC001232115564 1132424172 /nfs/dbraw/zinc/42/41/72/1132424172.db2.gz UTMRZXRDXALMKL-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cs1)C2 ZINC001232277319 1132449029 /nfs/dbraw/zinc/44/90/29/1132449029.db2.gz VMHQFJRZHSJBCF-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cs1)C2 ZINC001232277319 1132449034 /nfs/dbraw/zinc/44/90/34/1132449034.db2.gz VMHQFJRZHSJBCF-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)o1)C1CCCC1 ZINC001232443622 1132471004 /nfs/dbraw/zinc/47/10/04/1132471004.db2.gz FNLCIUYNYYYGBC-UHFFFAOYSA-N 1 2 286.297 3.957 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(C(F)(F)F)o1)C1CCCC1 ZINC001232443622 1132471007 /nfs/dbraw/zinc/47/10/07/1132471007.db2.gz FNLCIUYNYYYGBC-UHFFFAOYSA-N 1 2 286.297 3.957 20 30 CHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCc3ccccc3C2)c1F ZINC001143173073 1132513186 /nfs/dbraw/zinc/51/31/86/1132513186.db2.gz NOIFEJQBVQZYJA-UHFFFAOYSA-N 1 2 298.336 3.785 20 30 CHEDLO N#Cc1ccc(F)c(C[N@H+]2CCCc3ccccc3C2)c1F ZINC001143173073 1132513189 /nfs/dbraw/zinc/51/31/89/1132513189.db2.gz NOIFEJQBVQZYJA-UHFFFAOYSA-N 1 2 298.336 3.785 20 30 CHEDLO C[N@H+](Cc1c(F)ccc(C#N)c1F)[C@H]1CCc2ccccc21 ZINC001143178225 1132514690 /nfs/dbraw/zinc/51/46/90/1132514690.db2.gz ABIHRZCRYNIEGG-KRWDZBQOSA-N 1 2 298.336 3.956 20 30 CHEDLO C[N@@H+](Cc1c(F)ccc(C#N)c1F)[C@H]1CCc2ccccc21 ZINC001143178225 1132514698 /nfs/dbraw/zinc/51/46/98/1132514698.db2.gz ABIHRZCRYNIEGG-KRWDZBQOSA-N 1 2 298.336 3.956 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)cn1 ZINC001232892883 1132537953 /nfs/dbraw/zinc/53/79/53/1132537953.db2.gz HPVZNPGJBTYJMZ-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)cn1 ZINC001232892883 1132537961 /nfs/dbraw/zinc/53/79/61/1132537961.db2.gz HPVZNPGJBTYJMZ-GOSISDBHSA-N 1 2 295.361 3.738 20 30 CHEDLO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(F)ccc1C#N ZINC001232893145 1132538805 /nfs/dbraw/zinc/53/88/05/1132538805.db2.gz OZUDSDNMZZJNNC-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(F)ccc1C#N ZINC001232893145 1132538812 /nfs/dbraw/zinc/53/88/12/1132538812.db2.gz OZUDSDNMZZJNNC-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CC[N@H+](Cc1[nH]ccc1C#N)Cc1cccc(Cl)c1 ZINC001233048826 1132566836 /nfs/dbraw/zinc/56/68/36/1132566836.db2.gz OABUZAZLMAXTCD-UHFFFAOYSA-N 1 2 273.767 3.562 20 30 CHEDLO CC[N@@H+](Cc1[nH]ccc1C#N)Cc1cccc(Cl)c1 ZINC001233048826 1132566842 /nfs/dbraw/zinc/56/68/42/1132566842.db2.gz OABUZAZLMAXTCD-UHFFFAOYSA-N 1 2 273.767 3.562 20 30 CHEDLO C#Cc1cccnc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174380869 1132828510 /nfs/dbraw/zinc/82/85/10/1132828510.db2.gz NSAVCRPDNBJTNA-UHFFFAOYSA-N 1 2 276.343 3.737 20 30 CHEDLO COc1ccc(Nc2ccc([NH+]3CCCC3)cc2)cc1C#N ZINC001174526162 1132886494 /nfs/dbraw/zinc/88/64/94/1132886494.db2.gz JGDCOPAZBHSLOT-UHFFFAOYSA-N 1 2 293.370 3.911 20 30 CHEDLO N#Cc1cccc(F)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522032 1132912028 /nfs/dbraw/zinc/91/20/28/1132912028.db2.gz HBQBYUJPEFJAGT-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO N#Cc1ccsc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523699 1132912379 /nfs/dbraw/zinc/91/23/79/1132912379.db2.gz WJPXQZQOSIPHLR-UHFFFAOYSA-N 1 2 284.388 3.749 20 30 CHEDLO N#Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522668 1132912652 /nfs/dbraw/zinc/91/26/52/1132912652.db2.gz SKANIDQTSRKRHC-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2cc3ccccc3cc2O)c1 ZINC001160206570 1132946180 /nfs/dbraw/zinc/94/61/80/1132946180.db2.gz KPKWWEZXVKHHIJ-UHFFFAOYSA-N 1 2 289.338 3.619 20 30 CHEDLO CC1(CNc2cc(CC#N)cc[nH+]2)CCC(F)(F)CC1 ZINC001162030610 1133049685 /nfs/dbraw/zinc/04/96/85/1133049685.db2.gz LMGPBZFJZJATTE-UHFFFAOYSA-N 1 2 279.334 3.775 20 30 CHEDLO Cc1cc2[nH]ccc2c(N[C@@](C)(C#N)CC(C)C)[nH+]1 ZINC001162518916 1133085669 /nfs/dbraw/zinc/08/56/69/1133085669.db2.gz VFGMYDAHZFDMPQ-OAHLLOKOSA-N 1 2 256.353 3.612 20 30 CHEDLO C#C[C@H](Nc1cc(CC)[nH+]c(CC)n1)c1ccc(F)cc1 ZINC001163363722 1133144488 /nfs/dbraw/zinc/14/44/88/1133144488.db2.gz MCVUPANNIUHSTG-HNNXBMFYSA-N 1 2 283.350 3.527 20 30 CHEDLO CC(C)N(c1[nH+]ccc2ccc(C#N)cc21)C(C)C ZINC001163574581 1133159810 /nfs/dbraw/zinc/15/98/10/1133159810.db2.gz JRONGQHRJPWABJ-UHFFFAOYSA-N 1 2 253.349 3.730 20 30 CHEDLO CCc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(CC)[nH+]1 ZINC001164119731 1133198486 /nfs/dbraw/zinc/19/84/86/1133198486.db2.gz GGHFIKXLVHHEAR-LBPRGKRZSA-N 1 2 280.375 3.646 20 30 CHEDLO C[C@@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)[C@@H]1C ZINC001166609234 1133274670 /nfs/dbraw/zinc/27/46/70/1133274670.db2.gz HBWQRJUNWROMOW-CHWSQXEVSA-N 1 2 265.360 3.731 20 30 CHEDLO CN(CCc1cccs1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166678452 1133281036 /nfs/dbraw/zinc/28/10/36/1133281036.db2.gz PXMZXBTVUAVZQZ-UHFFFAOYSA-N 1 2 293.395 3.847 20 30 CHEDLO CNc1ccc(Nc2ccc(C#N)c(Cl)c2F)c[nH+]1 ZINC001203459148 1133331004 /nfs/dbraw/zinc/33/10/04/1133331004.db2.gz GGQAHAJIUYVSSQ-UHFFFAOYSA-N 1 2 276.702 3.531 20 30 CHEDLO CNc1ccc(Nc2cc(C#N)cc(C(F)(F)F)c2)c[nH+]1 ZINC001203458662 1133331504 /nfs/dbraw/zinc/33/15/04/1133331504.db2.gz RCQQFNVHCLXZOG-UHFFFAOYSA-N 1 2 292.264 3.757 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)ccc(F)c2F)c1 ZINC001203666752 1133351746 /nfs/dbraw/zinc/35/17/46/1133351746.db2.gz FNLYDJPBFDDVGH-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)cnc1C#N ZINC001203718644 1133358247 /nfs/dbraw/zinc/35/82/47/1133358247.db2.gz IZPZFWAASJRSML-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC001204282849 1133428804 /nfs/dbraw/zinc/42/88/04/1133428804.db2.gz MHRWGSIIQDQSSU-UHFFFAOYSA-N 1 2 268.763 3.995 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC001204282849 1133428807 /nfs/dbraw/zinc/42/88/07/1133428807.db2.gz MHRWGSIIQDQSSU-UHFFFAOYSA-N 1 2 268.763 3.995 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC001206377330 1133696521 /nfs/dbraw/zinc/69/65/21/1133696521.db2.gz VGCZFURLFMCYDZ-ZDUSSCGKSA-N 1 2 293.345 3.762 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC001206377330 1133696525 /nfs/dbraw/zinc/69/65/25/1133696525.db2.gz VGCZFURLFMCYDZ-ZDUSSCGKSA-N 1 2 293.345 3.762 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206836442 1133753918 /nfs/dbraw/zinc/75/39/18/1133753918.db2.gz MUTGZGULANCWST-UHFFFAOYSA-N 1 2 272.323 3.655 20 30 CHEDLO CCCCCCCN(C)Cc1[nH+]cc2ccccn21 ZINC001207051421 1133762621 /nfs/dbraw/zinc/76/26/21/1133762621.db2.gz KVSLCCOWLLXVQS-UHFFFAOYSA-N 1 2 259.397 3.737 20 30 CHEDLO C#CC[N@H+](Cc1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001207715890 1133841488 /nfs/dbraw/zinc/84/14/88/1133841488.db2.gz QBXPUELODOOZNQ-UHFFFAOYSA-N 1 2 290.716 3.597 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001207715890 1133841494 /nfs/dbraw/zinc/84/14/94/1133841494.db2.gz QBXPUELODOOZNQ-UHFFFAOYSA-N 1 2 290.716 3.597 20 30 CHEDLO C=CCCCCN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001209208695 1133989979 /nfs/dbraw/zinc/98/99/79/1133989979.db2.gz YBWUZSJYQOXNMH-HNNXBMFYSA-N 1 2 286.410 3.538 20 30 CHEDLO N#C[C@@H]1CCCC[N@@H+]1CCCCCc1ccccc1 ZINC001209236305 1133994905 /nfs/dbraw/zinc/99/49/05/1133994905.db2.gz YJXFHNUZQZASOI-KRWDZBQOSA-N 1 2 256.393 3.777 20 30 CHEDLO N#C[C@@H]1CCCC[N@H+]1CCCCCc1ccccc1 ZINC001209236305 1133994908 /nfs/dbraw/zinc/99/49/08/1133994908.db2.gz YJXFHNUZQZASOI-KRWDZBQOSA-N 1 2 256.393 3.777 20 30 CHEDLO Cc1cc(Nc2csc(C#N)c2)ccc1[NH+](C)C ZINC001210041114 1134131300 /nfs/dbraw/zinc/13/13/00/1134131300.db2.gz IGCFSKRGDLPFEQ-UHFFFAOYSA-N 1 2 257.362 3.738 20 30 CHEDLO C#CCOc1ccc(Nc2ccc([NH+](C)C)c(C)c2)cc1 ZINC001210043443 1134132191 /nfs/dbraw/zinc/13/21/91/1134132191.db2.gz NFXPGUOSBHIYBA-UHFFFAOYSA-N 1 2 280.371 3.817 20 30 CHEDLO Cc1cc(Nc2cc(F)c(F)c(C#N)c2)ccc1[NH+](C)C ZINC001210045493 1134134080 /nfs/dbraw/zinc/13/40/80/1134134080.db2.gz VAUJZTFVPGGZIO-UHFFFAOYSA-N 1 2 287.313 3.955 20 30 CHEDLO N#Cc1ccc(Nc2cccc3cc[nH+]cc32)s1 ZINC001210225104 1134172984 /nfs/dbraw/zinc/17/29/84/1134172984.db2.gz CXIBYGHFWPLBSM-UHFFFAOYSA-N 1 2 251.314 3.912 20 30 CHEDLO Cc1cc(C#N)cc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001210389758 1134206244 /nfs/dbraw/zinc/20/62/44/1134206244.db2.gz VXMYKXZJVKAFOO-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO CSc1cc(Nc2ccc(C)cc2C#N)cc[nH+]1 ZINC001210564561 1134250016 /nfs/dbraw/zinc/25/00/16/1134250016.db2.gz HZSOQQCMCCCSRW-UHFFFAOYSA-N 1 2 255.346 3.727 20 30 CHEDLO COc1cc(Nc2cc(C#N)cn2C(C)(C)C)cc(C)[nH+]1 ZINC001210775853 1134293044 /nfs/dbraw/zinc/29/30/44/1134293044.db2.gz JNIZNFAHPNCLRG-UHFFFAOYSA-N 1 2 284.363 3.570 20 30 CHEDLO Cc1cc[nH+]c2cc(NC3=CC(=O)C[C@H](C)C3)ccc12 ZINC001210777114 1134294037 /nfs/dbraw/zinc/29/40/37/1134294037.db2.gz WOIANOMIGYUHES-LLVKDONJSA-N 1 2 266.344 3.838 20 30 CHEDLO Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC001210808113 1134299691 /nfs/dbraw/zinc/29/96/91/1134299691.db2.gz ULDFIRYGFKMPDM-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1ccc2ccccc2c1[NH+]=C(NO)c1ccccc1N ZINC001211119105 1134374473 /nfs/dbraw/zinc/37/44/73/1134374473.db2.gz AZXDGFSUYANHGI-UHFFFAOYSA-N 1 2 291.354 3.788 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1csc(C#N)c1 ZINC001213497075 1134455092 /nfs/dbraw/zinc/45/50/92/1134455092.db2.gz HCUYHTAGOWUUBD-UHFFFAOYSA-N 1 2 255.346 3.944 20 30 CHEDLO Cc1cc(C)c(Nc2cccc(Cl)c2C#N)c[nH+]1 ZINC001213518235 1134459462 /nfs/dbraw/zinc/45/94/62/1134459462.db2.gz CFBRVKOEPBQGMV-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(Cl)cc(C#N)c2)c1C ZINC001213532465 1134461745 /nfs/dbraw/zinc/46/17/45/1134461745.db2.gz JVYBPCUGCUKXHW-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001216074799 1134767090 /nfs/dbraw/zinc/76/70/90/1134767090.db2.gz WPWKHKWWYSKQDP-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO CCc1cc(Nc2ccc3c(c2)[nH+]cn3C)ccc1C#N ZINC001216314449 1134847616 /nfs/dbraw/zinc/84/76/16/1134847616.db2.gz CFVWFUQNNQRCKJ-UHFFFAOYSA-N 1 2 276.343 3.751 20 30 CHEDLO CSc1cc(Br)ccc1C[NH2+][C@H](C)CC#N ZINC000309890099 1135118740 /nfs/dbraw/zinc/11/87/40/1135118740.db2.gz CBZLDTAAPLPGGM-SECBINFHSA-N 1 2 299.237 3.563 20 30 CHEDLO Cn1c[nH+]cc1CO[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001222594973 1135254299 /nfs/dbraw/zinc/25/42/99/1135254299.db2.gz KKZXJIHUHBZQII-QGZVFWFLSA-N 1 2 298.462 3.559 20 30 CHEDLO COc1cc2[nH+]c[nH]c2cc1-c1c(C)cc(C#N)cc1C ZINC001222656981 1135261000 /nfs/dbraw/zinc/26/10/00/1135261000.db2.gz DUYGFLKYOSOFPG-UHFFFAOYSA-N 1 2 277.327 3.727 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000448351816 261123733 /nfs/dbraw/zinc/12/37/33/261123733.db2.gz BHKWKIKDRQOMFB-GFCCVEGCSA-N 1 2 264.438 3.981 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000448351816 261123736 /nfs/dbraw/zinc/12/37/36/261123736.db2.gz BHKWKIKDRQOMFB-GFCCVEGCSA-N 1 2 264.438 3.981 20 30 CHEDLO C=CCCCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000574862276 335052992 /nfs/dbraw/zinc/05/29/92/335052992.db2.gz RBPWHGGXRGCHMI-UHFFFAOYSA-N 1 2 269.270 3.806 20 30 CHEDLO N#Cc1cccc(C2([NH2+]Cc3nc(C4CC4)cs3)CC2)c1 ZINC000341958668 130172973 /nfs/dbraw/zinc/17/29/73/130172973.db2.gz COUCCLWZUTVURF-UHFFFAOYSA-N 1 2 295.411 3.671 20 30 CHEDLO C[C@@H]1CCC[C@@H](C)C1[NH2+]c1ccc(OCC#N)cc1 ZINC000020126418 171010248 /nfs/dbraw/zinc/01/02/48/171010248.db2.gz UEFGDYUDSOZVOH-CHWSQXEVSA-N 1 2 258.365 3.826 20 30 CHEDLO Cc1cc(N2CCCC2)ccc1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000334770013 225315411 /nfs/dbraw/zinc/31/54/11/225315411.db2.gz BBKOCXFUSWPKQU-GJZGRUSLSA-N 1 2 269.392 3.699 20 30 CHEDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000354886403 227203314 /nfs/dbraw/zinc/20/33/14/227203314.db2.gz VXJSQLLDMLZQMQ-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)cc1 ZINC000354886403 227203320 /nfs/dbraw/zinc/20/33/20/227203320.db2.gz VXJSQLLDMLZQMQ-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000353422760 228100095 /nfs/dbraw/zinc/10/00/95/228100095.db2.gz NQUMZKNEQJRUOD-UHFFFAOYSA-N 1 2 262.372 3.896 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000353422760 228100098 /nfs/dbraw/zinc/10/00/98/228100098.db2.gz NQUMZKNEQJRUOD-UHFFFAOYSA-N 1 2 262.372 3.896 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)c1cnccn1 ZINC000297841703 260136072 /nfs/dbraw/zinc/13/60/72/260136072.db2.gz KOUNTIOBBRUVEA-NSHDSACASA-N 1 2 293.823 3.941 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)c1cnccn1 ZINC000297841703 260136073 /nfs/dbraw/zinc/13/60/73/260136073.db2.gz KOUNTIOBBRUVEA-NSHDSACASA-N 1 2 293.823 3.941 20 30 CHEDLO C=CCOc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000071413573 260162625 /nfs/dbraw/zinc/16/26/25/260162625.db2.gz SWSFNLYOZQTIEG-UHFFFAOYSA-N 1 2 254.333 3.567 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(C)s1 ZINC000072692948 260277864 /nfs/dbraw/zinc/27/78/64/260277864.db2.gz ZDKNFZPUCMMVCD-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(C)s1 ZINC000072692948 260277866 /nfs/dbraw/zinc/27/78/66/260277866.db2.gz ZDKNFZPUCMMVCD-UHFFFAOYSA-N 1 2 265.426 3.603 20 30 CHEDLO Cc1[nH+]cc(CNc2cccc(C#N)c2)n1-c1ccccc1 ZINC000174287208 261183751 /nfs/dbraw/zinc/18/37/51/261183751.db2.gz HJJKQSLLZKWZQD-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1C ZINC000103144220 261274381 /nfs/dbraw/zinc/27/43/81/261274381.db2.gz XJWKDNIKRJEGFV-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1C ZINC000103144220 261274382 /nfs/dbraw/zinc/27/43/82/261274382.db2.gz XJWKDNIKRJEGFV-UHFFFAOYSA-N 1 2 298.361 3.646 20 30 CHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1F ZINC000162252354 261274397 /nfs/dbraw/zinc/27/43/97/261274397.db2.gz LZCHUYTXFRSQRR-UHFFFAOYSA-N 1 2 299.349 3.824 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000103139734 261274589 /nfs/dbraw/zinc/27/45/89/261274589.db2.gz ILUMOEKIMOMBLZ-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000103139734 261274590 /nfs/dbraw/zinc/27/45/90/261274590.db2.gz ILUMOEKIMOMBLZ-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO C[C@@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1cccnc1 ZINC000186802766 262110723 /nfs/dbraw/zinc/11/07/23/262110723.db2.gz VQTHICIFDOBMHH-KRWDZBQOSA-N 1 2 293.414 3.676 20 30 CHEDLO C[C@@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000186802766 262110726 /nfs/dbraw/zinc/11/07/26/262110726.db2.gz VQTHICIFDOBMHH-KRWDZBQOSA-N 1 2 293.414 3.676 20 30 CHEDLO C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000310275483 262131443 /nfs/dbraw/zinc/13/14/43/262131443.db2.gz JLMBHFKEPYPHMR-NSHDSACASA-N 1 2 293.208 3.695 20 30 CHEDLO C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000310275483 262131446 /nfs/dbraw/zinc/13/14/46/262131446.db2.gz JLMBHFKEPYPHMR-NSHDSACASA-N 1 2 293.208 3.695 20 30 CHEDLO C=CCOc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000119591037 262168411 /nfs/dbraw/zinc/16/84/11/262168411.db2.gz FSSVFJDMMHOTQK-UHFFFAOYSA-N 1 2 254.333 3.567 20 30 CHEDLO C=CCOc1ccccc1CNc1c[nH+]cc(C)c1 ZINC000119580088 262168420 /nfs/dbraw/zinc/16/84/20/262168420.db2.gz ZPJQMBZVPQHBTJ-UHFFFAOYSA-N 1 2 254.333 3.567 20 30 CHEDLO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1csnn1 ZINC000414304416 262848598 /nfs/dbraw/zinc/84/85/98/262848598.db2.gz OSSTVYRJAGKJJL-ABAIWWIYSA-N 1 2 298.415 3.528 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000272496034 263005523 /nfs/dbraw/zinc/00/55/23/263005523.db2.gz CXWYPELIHRGECO-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C)(C#N)CC1 ZINC000272616279 263007757 /nfs/dbraw/zinc/00/77/57/263007757.db2.gz TXFMLGDOGGFYSS-GFCCVEGCSA-N 1 2 275.396 3.659 20 30 CHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000277648975 263042611 /nfs/dbraw/zinc/04/26/11/263042611.db2.gz IBVOYCGDQRFEOJ-UHFFFAOYSA-N 1 2 299.340 3.862 20 30 CHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000277648975 263042612 /nfs/dbraw/zinc/04/26/12/263042612.db2.gz IBVOYCGDQRFEOJ-UHFFFAOYSA-N 1 2 299.340 3.862 20 30 CHEDLO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)C(F)(F)F)c(O)c1 ZINC000287015075 263100611 /nfs/dbraw/zinc/10/06/11/263100611.db2.gz FZPSARNAHOLRSE-SVXRXWARSA-N 1 2 288.313 3.608 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)c1C ZINC000291235302 263120898 /nfs/dbraw/zinc/12/08/98/263120898.db2.gz KTYYKRNQMVMECO-WBVHZDCISA-N 1 2 294.402 3.983 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)c1cccnc1 ZINC000340601918 263219235 /nfs/dbraw/zinc/21/92/35/263219235.db2.gz LRAWIRKVPHVMHR-AWEZNQCLSA-N 1 2 270.351 3.970 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)c1cccnc1 ZINC000340601918 263219236 /nfs/dbraw/zinc/21/92/36/263219236.db2.gz LRAWIRKVPHVMHR-AWEZNQCLSA-N 1 2 270.351 3.970 20 30 CHEDLO N#CCC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000299116518 263231236 /nfs/dbraw/zinc/23/12/36/263231236.db2.gz DGDIBNNWCPLNFO-UHFFFAOYSA-N 1 2 250.345 3.718 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000299116518 263231239 /nfs/dbraw/zinc/23/12/39/263231239.db2.gz DGDIBNNWCPLNFO-UHFFFAOYSA-N 1 2 250.345 3.718 20 30 CHEDLO CC[N@H+](Cc1nccn1C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299572217 263247903 /nfs/dbraw/zinc/24/79/03/263247903.db2.gz HGRCZJYYGHZWBF-HNNXBMFYSA-N 1 2 296.418 3.919 20 30 CHEDLO CC[N@@H+](Cc1nccn1C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299572217 263247904 /nfs/dbraw/zinc/24/79/04/263247904.db2.gz HGRCZJYYGHZWBF-HNNXBMFYSA-N 1 2 296.418 3.919 20 30 CHEDLO CC(C)(CCC#N)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000340891568 263311886 /nfs/dbraw/zinc/31/18/86/263311886.db2.gz IDZASPNUOKCDHA-UHFFFAOYSA-N 1 2 271.286 3.842 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000342001712 263375445 /nfs/dbraw/zinc/37/54/45/263375445.db2.gz LGDJLQAVDNZHIB-HNNXBMFYSA-N 1 2 286.419 3.789 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000341992197 263382297 /nfs/dbraw/zinc/38/22/97/263382297.db2.gz CACRIPFQZCYYCW-INIZCTEOSA-N 1 2 286.419 3.591 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC000425456690 264329601 /nfs/dbraw/zinc/32/96/01/264329601.db2.gz JVFDXRABMSPEPU-GFCCVEGCSA-N 1 2 293.317 3.804 20 30 CHEDLO C=CC[N@@H+](Cc1c(C)onc1CC)Cc1cccc(C#N)c1 ZINC000163182800 264344701 /nfs/dbraw/zinc/34/47/01/264344701.db2.gz LFOZWDZICCTPHB-UHFFFAOYSA-N 1 2 295.386 3.605 20 30 CHEDLO C=CC[N@H+](Cc1c(C)onc1CC)Cc1cccc(C#N)c1 ZINC000163182800 264344704 /nfs/dbraw/zinc/34/47/04/264344704.db2.gz LFOZWDZICCTPHB-UHFFFAOYSA-N 1 2 295.386 3.605 20 30 CHEDLO C=CC[N@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000357554215 266324101 /nfs/dbraw/zinc/32/41/01/266324101.db2.gz NZBGXIWEBLCJTQ-UHFFFAOYSA-N 1 2 262.422 3.951 20 30 CHEDLO C=CC[N@@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000357554215 266324103 /nfs/dbraw/zinc/32/41/03/266324103.db2.gz NZBGXIWEBLCJTQ-UHFFFAOYSA-N 1 2 262.422 3.951 20 30 CHEDLO COc1cc(CNc2[nH+]ccc(C)c2Cl)ccc1C#N ZINC000357619276 266336839 /nfs/dbraw/zinc/33/68/39/266336839.db2.gz QGWFBVUNGKFDFE-UHFFFAOYSA-N 1 2 287.750 3.536 20 30 CHEDLO CCc1ccc(CC[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000357923899 266385876 /nfs/dbraw/zinc/38/58/76/266385876.db2.gz ZHGBHZVYZBFFON-UHFFFAOYSA-N 1 2 282.387 3.800 20 30 CHEDLO CCc1ccc(CC[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000357923899 266385881 /nfs/dbraw/zinc/38/58/81/266385881.db2.gz ZHGBHZVYZBFFON-UHFFFAOYSA-N 1 2 282.387 3.800 20 30 CHEDLO C=CC[C@@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000116858832 267184147 /nfs/dbraw/zinc/18/41/47/267184147.db2.gz NVKQSEQDVKXZBG-CYBMUJFWSA-N 1 2 282.343 3.568 20 30 CHEDLO C=CC[C@@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000117007573 267199497 /nfs/dbraw/zinc/19/94/97/267199497.db2.gz GDPVAVGDNPNQOH-CYBMUJFWSA-N 1 2 297.358 3.960 20 30 CHEDLO Cn1cc[nH+]c1-c1cccc(NCc2cc(C#N)cs2)c1 ZINC000120001300 267351336 /nfs/dbraw/zinc/35/13/36/267351336.db2.gz YHVVBGROOSLESK-UHFFFAOYSA-N 1 2 294.383 3.632 20 30 CHEDLO Cc1cc(F)c(C[NH2+]CC2(C#N)CCC2)c(Cl)c1 ZINC000418141009 267362714 /nfs/dbraw/zinc/36/27/14/267362714.db2.gz KJJUDLXHUJZSQY-UHFFFAOYSA-N 1 2 266.747 3.571 20 30 CHEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2Cl)CCC1 ZINC000418144006 267365318 /nfs/dbraw/zinc/36/53/18/267365318.db2.gz RXRWOAPQEHTNIO-UHFFFAOYSA-N 1 2 269.175 3.777 20 30 CHEDLO CC(C)c1ccc(C[N@@H+](CCC#N)C(C)C)cc1[N+](=O)[O-] ZINC000534341991 328049817 /nfs/dbraw/zinc/04/98/17/328049817.db2.gz IOYDBGRULQUALL-UHFFFAOYSA-N 1 2 289.379 3.842 20 30 CHEDLO CC(C)c1ccc(C[N@H+](CCC#N)C(C)C)cc1[N+](=O)[O-] ZINC000534341991 328049818 /nfs/dbraw/zinc/04/98/18/328049818.db2.gz IOYDBGRULQUALL-UHFFFAOYSA-N 1 2 289.379 3.842 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000534342227 328049942 /nfs/dbraw/zinc/04/99/42/328049942.db2.gz WAGAXGNGMPEOJX-UHFFFAOYSA-N 1 2 288.288 3.969 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000534342227 328049944 /nfs/dbraw/zinc/04/99/44/328049944.db2.gz WAGAXGNGMPEOJX-UHFFFAOYSA-N 1 2 288.288 3.969 20 30 CHEDLO Cc1cc(C)c(NC(=O)c2ccc(C#N)c(Cl)c2)c(C)[nH+]1 ZINC000154011371 328076309 /nfs/dbraw/zinc/07/63/09/328076309.db2.gz QIPWPFDTJIJDJD-UHFFFAOYSA-N 1 2 299.761 3.784 20 30 CHEDLO CC[N@H+](Cc1occc1C)Cc1cc(C#N)ccc1F ZINC000412043199 328102544 /nfs/dbraw/zinc/10/25/44/328102544.db2.gz OYXRZGJPAWMRRU-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO CC[N@@H+](Cc1occc1C)Cc1cc(C#N)ccc1F ZINC000412043199 328102546 /nfs/dbraw/zinc/10/25/46/328102546.db2.gz OYXRZGJPAWMRRU-UHFFFAOYSA-N 1 2 272.323 3.621 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCc1ccc(C(C)C)cc1 ZINC000430112683 328130403 /nfs/dbraw/zinc/13/04/03/328130403.db2.gz YTKBISNMGJXTAJ-UHFFFAOYSA-N 1 2 256.393 3.754 20 30 CHEDLO C=CC[N@H+](CCC#N)CCc1ccc(C(C)C)cc1 ZINC000430112683 328130405 /nfs/dbraw/zinc/13/04/05/328130405.db2.gz YTKBISNMGJXTAJ-UHFFFAOYSA-N 1 2 256.393 3.754 20 30 CHEDLO N#C[C@H]1CCC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000278613415 328228457 /nfs/dbraw/zinc/22/84/57/328228457.db2.gz FTLSWVMYBWTMFA-HOCLYGCPSA-N 1 2 269.392 3.781 20 30 CHEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000278613415 328228458 /nfs/dbraw/zinc/22/84/58/328228458.db2.gz FTLSWVMYBWTMFA-HOCLYGCPSA-N 1 2 269.392 3.781 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000292307901 328269429 /nfs/dbraw/zinc/26/94/29/328269429.db2.gz VETCTBXKTIRNAN-UHFFFAOYSA-N 1 2 268.282 3.607 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000292307901 328269430 /nfs/dbraw/zinc/26/94/30/328269430.db2.gz VETCTBXKTIRNAN-UHFFFAOYSA-N 1 2 268.282 3.607 20 30 CHEDLO Cc1cc[nH+]c(N[C@H]2CC[C@@H](CC#N)C2)c1Br ZINC000294991223 328284047 /nfs/dbraw/zinc/28/40/47/328284047.db2.gz NAJRLAKMJOUNAF-QWRGUYRKSA-N 1 2 294.196 3.647 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1csc(Br)c1 ZINC000535077187 328384771 /nfs/dbraw/zinc/38/47/71/328384771.db2.gz SDHWMHLVIHMNGN-UHFFFAOYSA-N 1 2 287.226 3.635 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1csc(Br)c1 ZINC000535077187 328384772 /nfs/dbraw/zinc/38/47/72/328384772.db2.gz SDHWMHLVIHMNGN-UHFFFAOYSA-N 1 2 287.226 3.635 20 30 CHEDLO C=CCCC[C@@H](C)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000398174389 326872922 /nfs/dbraw/zinc/87/29/22/326872922.db2.gz MGDRBEJGRSLZLU-ZBFHGGJFSA-N 1 2 275.392 3.625 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000577409453 327260648 /nfs/dbraw/zinc/26/06/48/327260648.db2.gz XZCRFVMESGTOBB-LLVKDONJSA-N 1 2 289.379 3.731 20 30 CHEDLO N#CCC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000375989114 329005916 /nfs/dbraw/zinc/00/59/16/329005916.db2.gz PVZRJRMSLQZALX-UHFFFAOYSA-N 1 2 266.747 3.514 20 30 CHEDLO C=C(C)CCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000377441036 329015339 /nfs/dbraw/zinc/01/53/39/329015339.db2.gz DFALSUXSGWPPJX-UHFFFAOYSA-N 1 2 279.387 3.980 20 30 CHEDLO Cc1cccc2[nH+]c(CNc3ccc(Cl)c(C#N)c3)cn21 ZINC000177183655 329181738 /nfs/dbraw/zinc/18/17/38/329181738.db2.gz ZNEJAIJVCWFLBE-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO C=CCn1c2ccccc2nc1SCCCn1cc[nH+]c1 ZINC000185392073 329271706 /nfs/dbraw/zinc/27/17/06/329271706.db2.gz PUEOIAUFXKVKDY-UHFFFAOYSA-N 1 2 298.415 3.601 20 30 CHEDLO C=C(C)CC[NH2+][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000508960794 332852989 /nfs/dbraw/zinc/85/29/89/332852989.db2.gz AISOQVUJJRJVQN-HNNXBMFYSA-N 1 2 275.392 3.625 20 30 CHEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)s1 ZINC000185742006 329331067 /nfs/dbraw/zinc/33/10/67/329331067.db2.gz HUOJDRRHFAJSNB-UHFFFAOYSA-N 1 2 282.372 3.601 20 30 CHEDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1cccc(C#N)c1 ZINC000185856821 329333624 /nfs/dbraw/zinc/33/36/24/329333624.db2.gz WWVUNKLKLSQHHP-UHFFFAOYSA-N 1 2 296.761 3.710 20 30 CHEDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)n1 ZINC000187504525 329358373 /nfs/dbraw/zinc/35/83/73/329358373.db2.gz HTNMNDNEJFMVCQ-JTQLQIEISA-N 1 2 291.807 3.827 20 30 CHEDLO C=CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCCCC1 ZINC000421583238 329843874 /nfs/dbraw/zinc/84/38/74/329843874.db2.gz XBVHFXVROOPAPN-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO C=CC[N@H+](Cc1csc(-c2ccco2)n1)C1CC1 ZINC000271339009 330079050 /nfs/dbraw/zinc/07/90/50/330079050.db2.gz BTDWPKBVKQHYGP-UHFFFAOYSA-N 1 2 260.362 3.554 20 30 CHEDLO C=CC[N@@H+](Cc1csc(-c2ccco2)n1)C1CC1 ZINC000271339009 330079051 /nfs/dbraw/zinc/07/90/51/330079051.db2.gz BTDWPKBVKQHYGP-UHFFFAOYSA-N 1 2 260.362 3.554 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(F)F)s1 ZINC000421866244 330099345 /nfs/dbraw/zinc/09/93/45/330099345.db2.gz BAWFUUQHBKWYKY-AWEZNQCLSA-N 1 2 292.354 3.586 20 30 CHEDLO CCOc1c(Cl)cccc1C[NH2+][C@H](CC)CC#N ZINC000426143032 330500150 /nfs/dbraw/zinc/50/01/50/330500150.db2.gz LAZGQLNVGMVRNJ-GFCCVEGCSA-N 1 2 266.772 3.521 20 30 CHEDLO Cc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)c(C)o1 ZINC000428352693 330520952 /nfs/dbraw/zinc/52/09/52/330520952.db2.gz QQCWOXQDVYELPN-LLVKDONJSA-N 1 2 272.323 3.758 20 30 CHEDLO C=CCN(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000157409617 330775184 /nfs/dbraw/zinc/77/51/84/330775184.db2.gz FWNGRCRZKANDDU-UHFFFAOYSA-N 1 2 283.331 3.524 20 30 CHEDLO Cc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC000443989537 330808578 /nfs/dbraw/zinc/80/85/78/330808578.db2.gz LUQNIAZTLMMDJY-UHFFFAOYSA-N 1 2 288.354 3.665 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449241907 330908965 /nfs/dbraw/zinc/90/89/65/330908965.db2.gz CZNOJAIRSFPLIJ-HNNXBMFYSA-N 1 2 299.443 3.710 20 30 CHEDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)n1 ZINC000162732342 330954176 /nfs/dbraw/zinc/95/41/76/330954176.db2.gz HIQGPHXNAHYKPX-JTQLQIEISA-N 1 2 291.807 3.827 20 30 CHEDLO Cc1csc(C2([NH2+]CC3(C#N)CCC3)CCCC2)n1 ZINC000450574983 330987530 /nfs/dbraw/zinc/98/75/30/330987530.db2.gz DOIQJBJVPRFCFL-UHFFFAOYSA-N 1 2 275.421 3.504 20 30 CHEDLO C=CCCC[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455477475 331170582 /nfs/dbraw/zinc/17/05/82/331170582.db2.gz FIYNRSYYILBMDJ-LBPRGKRZSA-N 1 2 275.396 3.873 20 30 CHEDLO C=CCC1(C(=O)N[C@H](C)c2[nH+]ccn2CC)CCCCC1 ZINC000456348033 331190432 /nfs/dbraw/zinc/19/04/32/331190432.db2.gz KCFRNVSDTHFWBT-CQSZACIVSA-N 1 2 289.423 3.607 20 30 CHEDLO CC#CCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000462323280 331319539 /nfs/dbraw/zinc/31/95/39/331319539.db2.gz HLGSDTOWDFOKPW-XJKSGUPXSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000462323280 331319540 /nfs/dbraw/zinc/31/95/40/331319540.db2.gz HLGSDTOWDFOKPW-XJKSGUPXSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000462336449 331319922 /nfs/dbraw/zinc/31/99/22/331319922.db2.gz QMHDBSZFYPPKOK-UHFFFAOYSA-N 1 2 272.779 3.593 20 30 CHEDLO CC#CCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000462336449 331319923 /nfs/dbraw/zinc/31/99/23/331319923.db2.gz QMHDBSZFYPPKOK-UHFFFAOYSA-N 1 2 272.779 3.593 20 30 CHEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1C#N ZINC000463204253 331342207 /nfs/dbraw/zinc/34/22/07/331342207.db2.gz QZLQTBMAHBDTLP-YESZJQIVSA-N 1 2 268.404 3.804 20 30 CHEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1C#N ZINC000463204253 331342208 /nfs/dbraw/zinc/34/22/08/331342208.db2.gz QZLQTBMAHBDTLP-YESZJQIVSA-N 1 2 268.404 3.804 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000489443413 332052740 /nfs/dbraw/zinc/05/27/40/332052740.db2.gz IDXZJMPODHCAFH-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000489443413 332052742 /nfs/dbraw/zinc/05/27/42/332052742.db2.gz IDXZJMPODHCAFH-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C#C[C@H]([NH2+]Cc1scnc1C)c1ccc(Cl)cc1F ZINC000491266966 332177662 /nfs/dbraw/zinc/17/76/62/332177662.db2.gz RKIKDVFLKKKSPW-ZDUSSCGKSA-N 1 2 294.782 3.708 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000491278242 332179881 /nfs/dbraw/zinc/17/98/81/332179881.db2.gz SDUYQPAEBPPWQD-KRWDZBQOSA-N 1 2 298.748 3.815 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1 ZINC000491729858 332311987 /nfs/dbraw/zinc/31/19/87/332311987.db2.gz OIBIBUVZNZFJRB-OAHLLOKOSA-N 1 2 293.263 3.707 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C)cn1)c1ccc(Cl)cc1 ZINC000491754146 332329261 /nfs/dbraw/zinc/32/92/61/332329261.db2.gz RKHGLYYXKNLXEO-INIZCTEOSA-N 1 2 270.763 3.508 20 30 CHEDLO C=CCCc1ccccc1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492849722 332415965 /nfs/dbraw/zinc/41/59/65/332415965.db2.gz CXSSGHBSWDUVBQ-VAWYXSNFSA-N 1 2 295.386 3.674 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(OC)c(Br)c2)CC1 ZINC000513466033 333021228 /nfs/dbraw/zinc/02/12/28/333021228.db2.gz BCUMNPUGBJNKCC-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO Cc1cc(OCC[N@@H+](C)C[C@@H](C)C#N)ccc1C(C)C ZINC000513963347 333055508 /nfs/dbraw/zinc/05/55/08/333055508.db2.gz PHENLVUPWXMAJV-AWEZNQCLSA-N 1 2 274.408 3.589 20 30 CHEDLO Cc1cc(OCC[N@H+](C)C[C@@H](C)C#N)ccc1C(C)C ZINC000513963347 333055510 /nfs/dbraw/zinc/05/55/10/333055510.db2.gz PHENLVUPWXMAJV-AWEZNQCLSA-N 1 2 274.408 3.589 20 30 CHEDLO CC1(C)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000310422394 333058477 /nfs/dbraw/zinc/05/84/77/333058477.db2.gz ZHJFQIGBIDUJRH-UHFFFAOYSA-N 1 2 293.208 3.553 20 30 CHEDLO CC1(C)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000310422394 333058479 /nfs/dbraw/zinc/05/84/79/333058479.db2.gz ZHJFQIGBIDUJRH-UHFFFAOYSA-N 1 2 293.208 3.553 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccccc2Cl)on1 ZINC000517244077 333095628 /nfs/dbraw/zinc/09/56/28/333095628.db2.gz BOKQHXWSBZRPFY-LLVKDONJSA-N 1 2 289.766 3.777 20 30 CHEDLO CC(C)CCn1cccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000517545248 333101844 /nfs/dbraw/zinc/10/18/44/333101844.db2.gz KOLYDSKPODEEOF-OAHLLOKOSA-N 1 2 273.424 3.658 20 30 CHEDLO CC(C)CCn1cccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000517545248 333101845 /nfs/dbraw/zinc/10/18/45/333101845.db2.gz KOLYDSKPODEEOF-OAHLLOKOSA-N 1 2 273.424 3.658 20 30 CHEDLO Cn1c(NCc2cccc(C#N)c2)[nH+]c2cccc(Cl)c21 ZINC000184312162 333126897 /nfs/dbraw/zinc/12/68/97/333126897.db2.gz AUYOKJJBXQMCFC-UHFFFAOYSA-N 1 2 296.761 3.710 20 30 CHEDLO Cc1cc(Nc2ccc(C(C)(C)C#N)cc2)nc(C)[nH+]1 ZINC000192774706 333239318 /nfs/dbraw/zinc/23/93/18/333239318.db2.gz IHHOXNOFVKUDMP-UHFFFAOYSA-N 1 2 266.348 3.638 20 30 CHEDLO N#CC[N@H+](CCOc1ccc2ccccc2c1)C1CCCC1 ZINC000524596460 333368064 /nfs/dbraw/zinc/36/80/64/333368064.db2.gz DQJFSBNPRJXNIU-UHFFFAOYSA-N 1 2 294.398 3.987 20 30 CHEDLO N#CC[N@@H+](CCOc1ccc2ccccc2c1)C1CCCC1 ZINC000524596460 333368066 /nfs/dbraw/zinc/36/80/66/333368066.db2.gz DQJFSBNPRJXNIU-UHFFFAOYSA-N 1 2 294.398 3.987 20 30 CHEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528663431 333451411 /nfs/dbraw/zinc/45/14/11/333451411.db2.gz ZTTYOIWJSSMKIZ-GOSISDBHSA-N 1 2 295.361 3.723 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(C3CC3)cc2)c1 ZINC000576089475 335151635 /nfs/dbraw/zinc/15/16/35/335151635.db2.gz KKWPNUTWUOXQOJ-UHFFFAOYSA-N 1 2 263.344 3.637 20 30 CHEDLO N#CC1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000539450176 333671904 /nfs/dbraw/zinc/67/19/04/333671904.db2.gz JSGLINNIJHULPB-KRWDZBQOSA-N 1 2 280.346 3.808 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ncc(CC)o1)Cc1ccccc1 ZINC000548425367 334155580 /nfs/dbraw/zinc/15/55/80/334155580.db2.gz BVOWBSVZIATHMI-UHFFFAOYSA-N 1 2 270.376 3.815 20 30 CHEDLO C=C(C)C[N@H+](Cc1ncc(CC)o1)Cc1ccccc1 ZINC000548425367 334155581 /nfs/dbraw/zinc/15/55/81/334155581.db2.gz BVOWBSVZIATHMI-UHFFFAOYSA-N 1 2 270.376 3.815 20 30 CHEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000156092660 334734721 /nfs/dbraw/zinc/73/47/21/334734721.db2.gz FUIPCZIENGUTJE-UHFFFAOYSA-N 1 2 298.386 3.914 20 30 CHEDLO C[N@H+](Cc1ccc(Br)cc1F)CC(C)(C)C#N ZINC000581385726 336066607 /nfs/dbraw/zinc/06/66/07/336066607.db2.gz MZZVHURWUFDPFA-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO C[N@@H+](Cc1ccc(Br)cc1F)CC(C)(C)C#N ZINC000581385726 336066608 /nfs/dbraw/zinc/06/66/08/336066608.db2.gz MZZVHURWUFDPFA-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(-c2ccc(C)cc2)cs1 ZINC000581675343 336126634 /nfs/dbraw/zinc/12/66/34/336126634.db2.gz PDYVJXVGTSTCDR-AWEZNQCLSA-N 1 2 285.416 3.900 20 30 CHEDLO Cc1cc[nH+]c(C)c1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000330133800 534385935 /nfs/dbraw/zinc/38/59/35/534385935.db2.gz MCRKVUIVISMVKO-PBWFPOADSA-N 1 2 286.375 3.682 20 30 CHEDLO Cc1ccc(C2CCN(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000363670377 524243048 /nfs/dbraw/zinc/24/30/48/524243048.db2.gz HAWFDVWUGWKMNO-UHFFFAOYSA-N 1 2 277.371 3.646 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H](c2ccccc2)CO1 ZINC000130936282 524616214 /nfs/dbraw/zinc/61/62/14/524616214.db2.gz LXHYOFZWZLCQLT-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@H](c2ccccc2)CO1 ZINC000130936282 524616220 /nfs/dbraw/zinc/61/62/20/524616220.db2.gz LXHYOFZWZLCQLT-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(C)o1)Cc1ccccc1F ZINC000352655172 526334754 /nfs/dbraw/zinc/33/47/54/526334754.db2.gz PPMUKKSCCMPKHJ-UHFFFAOYSA-N 1 2 259.324 3.915 20 30 CHEDLO C=CC[N@H+](Cc1ccc(C)o1)Cc1ccccc1F ZINC000352655172 526334759 /nfs/dbraw/zinc/33/47/59/526334759.db2.gz PPMUKKSCCMPKHJ-UHFFFAOYSA-N 1 2 259.324 3.915 20 30 CHEDLO C=CCSCCNc1cc[nH+]c2c(OC)cccc12 ZINC000302419527 527006773 /nfs/dbraw/zinc/00/67/73/527006773.db2.gz IPLBQTQSGDIAAH-UHFFFAOYSA-N 1 2 274.389 3.575 20 30 CHEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC000112339245 1125486270 /nfs/dbraw/zinc/48/62/70/1125486270.db2.gz WIBACVMSELOMQK-NSHDSACASA-N 1 2 293.208 3.746 20 30 CHEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC001351950617 1119757049 /nfs/dbraw/zinc/75/70/49/1119757049.db2.gz QRYSBPNIOHIIBU-UHFFFAOYSA-N 1 2 290.455 3.843 20 30 CHEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC001351950617 1119757051 /nfs/dbraw/zinc/75/70/51/1119757051.db2.gz QRYSBPNIOHIIBU-UHFFFAOYSA-N 1 2 290.455 3.843 20 30 CHEDLO CCC[N@@H+](CC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437690675 1122649853 /nfs/dbraw/zinc/64/98/53/1122649853.db2.gz ZPBKMYGJZFRVTR-IRXDYDNUSA-N 1 2 256.393 3.732 20 30 CHEDLO C=CCC[N@@H+](C)Cc1nc(Cl)ccc1Br ZINC000877465659 1125028411 /nfs/dbraw/zinc/02/84/11/1125028411.db2.gz VJSYIBIIXAFZGA-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO C=CCC[N@H+](C)Cc1nc(Cl)ccc1Br ZINC000877465659 1125028419 /nfs/dbraw/zinc/02/84/19/1125028419.db2.gz VJSYIBIIXAFZGA-UHFFFAOYSA-N 1 2 289.604 3.505 20 30 CHEDLO CC1(F)CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716410 1131524405 /nfs/dbraw/zinc/52/44/05/1131524405.db2.gz OJUGIAQHULOMMK-UHFFFAOYSA-N 1 2 266.747 3.536 20 30 CHEDLO COc1c(F)cc(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC001143848165 1131539106 /nfs/dbraw/zinc/53/91/06/1131539106.db2.gz PHRCVUHGXJVFAV-UHFFFAOYSA-N 1 2 296.773 3.613 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)ccc(OC)c1F ZINC001143898421 1131549213 /nfs/dbraw/zinc/54/92/13/1131549213.db2.gz QPTGWDMHXLCAPV-UHFFFAOYSA-N 1 2 271.763 3.886 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)ccc(OC)c1F ZINC001143898421 1131549215 /nfs/dbraw/zinc/54/92/15/1131549215.db2.gz QPTGWDMHXLCAPV-UHFFFAOYSA-N 1 2 271.763 3.886 20 30 CHEDLO CC[C@@H](C)OCC[C@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172315240 1132155827 /nfs/dbraw/zinc/15/58/27/1132155827.db2.gz GKIKAHNBZPLKRX-LSDHHAIUSA-N 1 2 266.429 3.786 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000532815829 1125584818 /nfs/dbraw/zinc/58/48/18/1125584818.db2.gz IIRYIIOHGHHGEM-LLVKDONJSA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000532815829 1125584822 /nfs/dbraw/zinc/58/48/22/1125584822.db2.gz IIRYIIOHGHHGEM-LLVKDONJSA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000533599053 1125618774 /nfs/dbraw/zinc/61/87/74/1125618774.db2.gz KMFRXCAGORLBHY-LLVKDONJSA-N 1 2 298.308 3.709 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000533599053 1125618770 /nfs/dbraw/zinc/61/87/70/1125618770.db2.gz KMFRXCAGORLBHY-LLVKDONJSA-N 1 2 298.308 3.709 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1csc([C@H](C)OCC)n1 ZINC000076715586 1125683072 /nfs/dbraw/zinc/68/30/72/1125683072.db2.gz WQTKYGBEKWZVQN-LBPRGKRZSA-N 1 2 268.426 3.639 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1csc([C@H](C)OCC)n1 ZINC000076715586 1125683076 /nfs/dbraw/zinc/68/30/76/1125683076.db2.gz WQTKYGBEKWZVQN-LBPRGKRZSA-N 1 2 268.426 3.639 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1c(C)noc1C ZINC000078955481 1125743855 /nfs/dbraw/zinc/74/38/55/1125743855.db2.gz IFDSIHPNWFSCBU-UHFFFAOYSA-N 1 2 262.378 3.541 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1c(C)noc1C ZINC000078955481 1125743860 /nfs/dbraw/zinc/74/38/60/1125743860.db2.gz IFDSIHPNWFSCBU-UHFFFAOYSA-N 1 2 262.378 3.541 20 30 CHEDLO CC(C)(C)SCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000802727963 1130032810 /nfs/dbraw/zinc/03/28/10/1130032810.db2.gz UZDJRDIZHIRPGQ-UHFFFAOYSA-N 1 2 286.828 3.509 20 30 CHEDLO CC[N@@H+](Cc1cc2c(cc(C)cc2C)[nH]1)C[C@@H](C)C#N ZINC000481890029 1126732798 /nfs/dbraw/zinc/73/27/98/1126732798.db2.gz FXXJCBLORXHFHZ-ZDUSSCGKSA-N 1 2 269.392 3.766 20 30 CHEDLO CC[N@H+](Cc1cc2c(cc(C)cc2C)[nH]1)C[C@@H](C)C#N ZINC000481890029 1126732801 /nfs/dbraw/zinc/73/28/01/1126732801.db2.gz FXXJCBLORXHFHZ-ZDUSSCGKSA-N 1 2 269.392 3.766 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179453165 1126828069 /nfs/dbraw/zinc/82/80/69/1126828069.db2.gz VUDVYQHKXVMUSS-GFCCVEGCSA-N 1 2 272.323 3.820 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179453165 1126828074 /nfs/dbraw/zinc/82/80/74/1126828074.db2.gz VUDVYQHKXVMUSS-GFCCVEGCSA-N 1 2 272.323 3.820 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(C)s1)Cc1ccccc1 ZINC000180415964 1126843323 /nfs/dbraw/zinc/84/33/23/1126843323.db2.gz FGCKBLVUYNCWPF-UHFFFAOYSA-N 1 2 258.390 3.640 20 30 CHEDLO C=CC[N@H+](Cc1ncc(C)s1)Cc1ccccc1 ZINC000180415964 1126843327 /nfs/dbraw/zinc/84/33/27/1126843327.db2.gz FGCKBLVUYNCWPF-UHFFFAOYSA-N 1 2 258.390 3.640 20 30 CHEDLO C[C@@H]1CCCC[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000183048117 1126880510 /nfs/dbraw/zinc/88/05/10/1126880510.db2.gz ADFSDEMQVZKGNT-CVEARBPZSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@@H]1CCCC[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000183048117 1126880513 /nfs/dbraw/zinc/88/05/13/1126880513.db2.gz ADFSDEMQVZKGNT-CVEARBPZSA-N 1 2 271.408 3.624 20 30 CHEDLO N#CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000905606810 1126908331 /nfs/dbraw/zinc/90/83/31/1126908331.db2.gz XNNZZEHMROKDSW-AEFFLSMTSA-N 1 2 278.355 3.755 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000271124715 1127069190 /nfs/dbraw/zinc/06/91/90/1127069190.db2.gz KFQIDDBNKWPHQZ-CYBMUJFWSA-N 1 2 254.333 3.538 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000271124715 1127069194 /nfs/dbraw/zinc/06/91/94/1127069194.db2.gz KFQIDDBNKWPHQZ-CYBMUJFWSA-N 1 2 254.333 3.538 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000271147110 1127069474 /nfs/dbraw/zinc/06/94/74/1127069474.db2.gz ZBSHNBUEGFYCHZ-VIFPVBQESA-N 1 2 257.164 3.585 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000271147110 1127069477 /nfs/dbraw/zinc/06/94/77/1127069477.db2.gz ZBSHNBUEGFYCHZ-VIFPVBQESA-N 1 2 257.164 3.585 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000271124717 1127070172 /nfs/dbraw/zinc/07/01/72/1127070172.db2.gz KFQIDDBNKWPHQZ-ZDUSSCGKSA-N 1 2 254.333 3.538 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000271124717 1127070177 /nfs/dbraw/zinc/07/01/77/1127070177.db2.gz KFQIDDBNKWPHQZ-ZDUSSCGKSA-N 1 2 254.333 3.538 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271162381 1127070881 /nfs/dbraw/zinc/07/08/81/1127070881.db2.gz LMMMZBUCGLTKES-LBPRGKRZSA-N 1 2 272.323 3.820 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271162381 1127070885 /nfs/dbraw/zinc/07/08/85/1127070885.db2.gz LMMMZBUCGLTKES-LBPRGKRZSA-N 1 2 272.323 3.820 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCC2CCCC2)c1O ZINC000912962612 1127117278 /nfs/dbraw/zinc/11/72/78/1127117278.db2.gz VLYZJNGLHBKONJ-ATVHPVEESA-N 1 2 261.365 3.790 20 30 CHEDLO N#CCCC[N@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000348541013 1127121511 /nfs/dbraw/zinc/12/15/11/1127121511.db2.gz QDOUJJJHOMCIME-UHFFFAOYSA-N 1 2 280.371 3.745 20 30 CHEDLO N#CCCC[N@@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000348541013 1127121515 /nfs/dbraw/zinc/12/15/15/1127121515.db2.gz QDOUJJJHOMCIME-UHFFFAOYSA-N 1 2 280.371 3.745 20 30 CHEDLO NC(=[NH+]OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000029465021 1127123935 /nfs/dbraw/zinc/12/39/35/1127123935.db2.gz LKRBGTLRSYETAO-UHFFFAOYSA-N 1 2 295.169 3.831 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525883 1131111088 /nfs/dbraw/zinc/11/10/88/1131111088.db2.gz WLHHRNYETJJDAM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525883 1131111092 /nfs/dbraw/zinc/11/10/92/1131111092.db2.gz WLHHRNYETJJDAM-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CCc1nocc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000351759794 1127208171 /nfs/dbraw/zinc/20/81/71/1127208171.db2.gz LQQKMBZQRVCGSG-SJLPKXTDSA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1nocc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000351759794 1127208173 /nfs/dbraw/zinc/20/81/73/1127208173.db2.gz LQQKMBZQRVCGSG-SJLPKXTDSA-N 1 2 295.386 3.509 20 30 CHEDLO CC[C@@](C)([NH2+]Cc1cccc(C#N)c1F)c1nccs1 ZINC000352892332 1127248667 /nfs/dbraw/zinc/24/86/67/1127248667.db2.gz JSEHPDUEPSQDJQ-OAHLLOKOSA-N 1 2 289.379 3.569 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ncccc1C ZINC000352901862 1127249821 /nfs/dbraw/zinc/24/98/21/1127249821.db2.gz LKFNNGUTRJJGDP-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ncccc1C ZINC000352901862 1127249825 /nfs/dbraw/zinc/24/98/25/1127249825.db2.gz LKFNNGUTRJJGDP-UHFFFAOYSA-N 1 2 298.434 3.746 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](F)CC ZINC000352916926 1127250548 /nfs/dbraw/zinc/25/05/48/1127250548.db2.gz UDLQOYMRPPBGGS-HNNXBMFYSA-N 1 2 267.392 3.590 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](F)CC ZINC000352916926 1127250550 /nfs/dbraw/zinc/25/05/50/1127250550.db2.gz UDLQOYMRPPBGGS-HNNXBMFYSA-N 1 2 267.392 3.590 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590648883 1127266210 /nfs/dbraw/zinc/26/62/10/1127266210.db2.gz IUYKQSSREOCYOF-LJQANCHMSA-N 1 2 294.398 3.974 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590648883 1127266213 /nfs/dbraw/zinc/26/62/13/1127266213.db2.gz IUYKQSSREOCYOF-LJQANCHMSA-N 1 2 294.398 3.974 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000354025256 1127286776 /nfs/dbraw/zinc/28/67/76/1127286776.db2.gz ASCIIYKWEPAECH-CQSZACIVSA-N 1 2 294.402 3.509 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000354025256 1127286780 /nfs/dbraw/zinc/28/67/80/1127286780.db2.gz ASCIIYKWEPAECH-CQSZACIVSA-N 1 2 294.402 3.509 20 30 CHEDLO COc1ccc2oc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc2c1 ZINC000354033515 1127287104 /nfs/dbraw/zinc/28/71/04/1127287104.db2.gz MEEVRVPMXRVUCQ-LBPRGKRZSA-N 1 2 284.359 3.565 20 30 CHEDLO COc1ccc2oc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc2c1 ZINC000354033515 1127287107 /nfs/dbraw/zinc/28/71/07/1127287107.db2.gz MEEVRVPMXRVUCQ-LBPRGKRZSA-N 1 2 284.359 3.565 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1noc2c1CCCC2 ZINC000591853653 1127324279 /nfs/dbraw/zinc/32/42/79/1127324279.db2.gz NCBGSQOODQKQMZ-ZDUSSCGKSA-N 1 2 295.386 3.618 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000591853653 1127324284 /nfs/dbraw/zinc/32/42/84/1127324284.db2.gz NCBGSQOODQKQMZ-ZDUSSCGKSA-N 1 2 295.386 3.618 20 30 CHEDLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592094683 1127324795 /nfs/dbraw/zinc/32/47/95/1127324795.db2.gz SMOVCLHHYIBUAI-AWEZNQCLSA-N 1 2 295.386 3.591 20 30 CHEDLO C[C@H]1CC[N@H+](Cc2ccncc2C#N)[C@@H]1c1cccc(F)c1 ZINC000592071675 1127334273 /nfs/dbraw/zinc/33/42/73/1127334273.db2.gz OCVQJYVEHFZELR-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H]1c1cccc(F)c1 ZINC000592071675 1127334278 /nfs/dbraw/zinc/33/42/78/1127334278.db2.gz OCVQJYVEHFZELR-UGSOOPFHSA-N 1 2 295.361 3.675 20 30 CHEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592070769 1127334648 /nfs/dbraw/zinc/33/46/48/1127334648.db2.gz VYYMNKWCRSZMLV-CXAGYDPISA-N 1 2 295.386 3.828 20 30 CHEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592070769 1127334653 /nfs/dbraw/zinc/33/46/53/1127334653.db2.gz VYYMNKWCRSZMLV-CXAGYDPISA-N 1 2 295.386 3.828 20 30 CHEDLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592094684 1127336368 /nfs/dbraw/zinc/33/63/68/1127336368.db2.gz SMOVCLHHYIBUAI-CQSZACIVSA-N 1 2 295.386 3.591 20 30 CHEDLO CC(C)(C)OC1CC(CC/[NH+]=C/c2cccc(O)c2O)C1 ZINC000760991165 1127360434 /nfs/dbraw/zinc/36/04/34/1127360434.db2.gz VQHYBECIYJQMNT-WOJGMQOQSA-N 1 2 291.391 3.501 20 30 CHEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)c1ccc(F)cc1 ZINC000356060837 1127373270 /nfs/dbraw/zinc/37/32/70/1127373270.db2.gz SIJIGKXTHVPEEQ-LLVKDONJSA-N 1 2 289.379 3.737 20 30 CHEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)c1ccc(F)cc1 ZINC000356060837 1127373274 /nfs/dbraw/zinc/37/32/74/1127373274.db2.gz SIJIGKXTHVPEEQ-LLVKDONJSA-N 1 2 289.379 3.737 20 30 CHEDLO CC(C)Sc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000358051853 1127399913 /nfs/dbraw/zinc/39/99/13/1127399913.db2.gz RNUPXEJIZDXTQW-CYBMUJFWSA-N 1 2 262.422 3.921 20 30 CHEDLO CC(C)Sc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000358051853 1127399916 /nfs/dbraw/zinc/39/99/16/1127399916.db2.gz RNUPXEJIZDXTQW-CYBMUJFWSA-N 1 2 262.422 3.921 20 30 CHEDLO CC(C)(CC[N@H+](CCC#N)Cc1ccccn1)C1CC1 ZINC000593961265 1127404170 /nfs/dbraw/zinc/40/41/70/1127404170.db2.gz VGCLRPQJQYPPTQ-UHFFFAOYSA-N 1 2 271.408 3.624 20 30 CHEDLO CC(C)(CC[N@@H+](CCC#N)Cc1ccccn1)C1CC1 ZINC000593961265 1127404171 /nfs/dbraw/zinc/40/41/71/1127404171.db2.gz VGCLRPQJQYPPTQ-UHFFFAOYSA-N 1 2 271.408 3.624 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(C)C)ccc1OC ZINC000594008364 1127407391 /nfs/dbraw/zinc/40/73/91/1127407391.db2.gz QGVDIRPDAXWLKC-HNNXBMFYSA-N 1 2 260.381 3.600 20 30 CHEDLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358557373 1127426557 /nfs/dbraw/zinc/42/65/57/1127426557.db2.gz BMWFYULEZSYTHG-GHMZBOCLSA-N 1 2 289.379 3.874 20 30 CHEDLO N#CCC1(C[NH2+][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000594704651 1127428401 /nfs/dbraw/zinc/42/84/01/1127428401.db2.gz CGEMNUOEAQKWLV-CQSZACIVSA-N 1 2 283.400 3.516 20 30 CHEDLO CC[N@@H+](CCC#N)CCSc1cccc(Cl)c1 ZINC000595331841 1127459103 /nfs/dbraw/zinc/45/91/03/1127459103.db2.gz FKMRMFLOSVWWBL-UHFFFAOYSA-N 1 2 268.813 3.668 20 30 CHEDLO CC[N@H+](CCC#N)CCSc1cccc(Cl)c1 ZINC000595331841 1127459106 /nfs/dbraw/zinc/45/91/06/1127459106.db2.gz FKMRMFLOSVWWBL-UHFFFAOYSA-N 1 2 268.813 3.668 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@](C)(C#N)C1 ZINC000596532720 1127507364 /nfs/dbraw/zinc/50/73/64/1127507364.db2.gz XAFYEUAPIVAMLK-KRWDZBQOSA-N 1 2 265.360 3.592 20 30 CHEDLO CCc1ccc2[nH+]ccc(N3CC[C@](C)(C#N)C3)c2c1 ZINC000596531171 1127507390 /nfs/dbraw/zinc/50/73/90/1127507390.db2.gz IYXHEXNTUNSNJK-QGZVFWFLSA-N 1 2 265.360 3.537 20 30 CHEDLO C=C1CC[NH+](Cc2ccc(Cl)cc2OC)CC1 ZINC000361275394 1127552520 /nfs/dbraw/zinc/55/25/20/1127552520.db2.gz WSCISSNWQPBNHX-UHFFFAOYSA-N 1 2 251.757 3.501 20 30 CHEDLO CC(C)(C)c1ccncc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602019823 1127556522 /nfs/dbraw/zinc/55/65/22/1127556522.db2.gz JHGKHXFCLNRYEE-UHFFFAOYSA-N 1 2 297.377 3.680 20 30 CHEDLO C[N@H+](Cc1ccsc1Cl)Cc1ccc(C#N)cc1 ZINC000361508687 1127568495 /nfs/dbraw/zinc/56/84/95/1127568495.db2.gz OLFUOLZJCUKGDD-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccsc1Cl)Cc1ccc(C#N)cc1 ZINC000361508687 1127568497 /nfs/dbraw/zinc/56/84/97/1127568497.db2.gz OLFUOLZJCUKGDD-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000602485020 1127584863 /nfs/dbraw/zinc/58/48/63/1127584863.db2.gz MJOATWNNPLLDDY-CYBMUJFWSA-N 1 2 266.335 3.694 20 30 CHEDLO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)CC(F)F ZINC000602485020 1127584866 /nfs/dbraw/zinc/58/48/66/1127584866.db2.gz MJOATWNNPLLDDY-CYBMUJFWSA-N 1 2 266.335 3.694 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000602602901 1127598377 /nfs/dbraw/zinc/59/83/77/1127598377.db2.gz DNAUPTIOPYMKLK-UHFFFAOYSA-N 1 2 298.217 3.701 20 30 CHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000602682424 1127606549 /nfs/dbraw/zinc/60/65/49/1127606549.db2.gz RYVNLDLRSGVKDJ-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000602682424 1127606551 /nfs/dbraw/zinc/60/65/51/1127606551.db2.gz RYVNLDLRSGVKDJ-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602718737 1127608697 /nfs/dbraw/zinc/60/86/97/1127608697.db2.gz QUSJOXCMDDDFMI-AWEZNQCLSA-N 1 2 282.309 3.527 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602718737 1127608699 /nfs/dbraw/zinc/60/86/99/1127608699.db2.gz QUSJOXCMDDDFMI-AWEZNQCLSA-N 1 2 282.309 3.527 20 30 CHEDLO CCC(F)(F)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000602874121 1127619313 /nfs/dbraw/zinc/61/93/13/1127619313.db2.gz NTZOPOOHKHRVGG-UHFFFAOYSA-N 1 2 264.319 3.572 20 30 CHEDLO C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCC[C@H]1C#N ZINC000602976104 1127625746 /nfs/dbraw/zinc/62/57/46/1127625746.db2.gz KWBXPPOWYMMRNQ-GXSJLCMTSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCC[C@H]1C#N ZINC000602976104 1127625747 /nfs/dbraw/zinc/62/57/47/1127625747.db2.gz KWBXPPOWYMMRNQ-GXSJLCMTSA-N 1 2 299.237 3.635 20 30 CHEDLO Cc1csc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)n1 ZINC000599055470 1127654736 /nfs/dbraw/zinc/65/47/36/1127654736.db2.gz SHJQZKNCVJXYPO-GFCCVEGCSA-N 1 2 263.410 3.576 20 30 CHEDLO COCc1cc[nH+]c(N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000593724697 1127667591 /nfs/dbraw/zinc/66/75/91/1127667591.db2.gz GYNZKJCZVQEMRY-KRWDZBQOSA-N 1 2 293.370 3.589 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H](C)C1(F)F ZINC000599514858 1127676727 /nfs/dbraw/zinc/67/67/27/1127676727.db2.gz LXJZZYYQZDYKSP-PHIMTYICSA-N 1 2 298.764 3.935 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H](C)C1(F)F ZINC000599514858 1127676729 /nfs/dbraw/zinc/67/67/29/1127676729.db2.gz LXJZZYYQZDYKSP-PHIMTYICSA-N 1 2 298.764 3.935 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599553202 1127680645 /nfs/dbraw/zinc/68/06/45/1127680645.db2.gz ULGYPYRNOYTDLK-UHFFFAOYSA-N 1 2 284.737 3.833 20 30 CHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553202 1127680647 /nfs/dbraw/zinc/68/06/47/1127680647.db2.gz ULGYPYRNOYTDLK-UHFFFAOYSA-N 1 2 284.737 3.833 20 30 CHEDLO C[C@H](CCC#N)[N@H+](C)Cc1ccc(F)cc1Br ZINC000411629026 1127867558 /nfs/dbraw/zinc/86/75/58/1127867558.db2.gz ZPEGWIFWWLTIPN-SNVBAGLBSA-N 1 2 299.187 3.712 20 30 CHEDLO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000411629026 1127867560 /nfs/dbraw/zinc/86/75/60/1127867560.db2.gz ZPEGWIFWWLTIPN-SNVBAGLBSA-N 1 2 299.187 3.712 20 30 CHEDLO N#CCCCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001168433756 1127969142 /nfs/dbraw/zinc/96/91/42/1127969142.db2.gz IWCXBOBICQYVRG-UHFFFAOYSA-N 1 2 282.269 3.687 20 30 CHEDLO CCCCOc1ccccc1C[N@H+](CC)C[C@@H](C)C#N ZINC000468398364 1128006455 /nfs/dbraw/zinc/00/64/55/1128006455.db2.gz WMSNKALKHZRDRQ-HNNXBMFYSA-N 1 2 274.408 3.847 20 30 CHEDLO CCCCOc1ccccc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000468398364 1128006458 /nfs/dbraw/zinc/00/64/58/1128006458.db2.gz WMSNKALKHZRDRQ-HNNXBMFYSA-N 1 2 274.408 3.847 20 30 CHEDLO CC(C)[N@H+](Cc1ccccn1)Cc1ccc(F)cc1C#N ZINC000609133212 1128034773 /nfs/dbraw/zinc/03/47/73/1128034773.db2.gz JKOYGMNHWYAYKB-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1C#N ZINC000609133212 1128034778 /nfs/dbraw/zinc/03/47/78/1128034778.db2.gz JKOYGMNHWYAYKB-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO C#C[C@H]([NH2+][C@H](C)c1cc(C)ccn1)c1ccc(F)cc1 ZINC000491351584 1128068540 /nfs/dbraw/zinc/06/85/40/1128068540.db2.gz USMLJJFFKDZYQR-CJNGLKHVSA-N 1 2 268.335 3.554 20 30 CHEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000925273334 1128127442 /nfs/dbraw/zinc/12/74/42/1128127442.db2.gz FIIZAGNALCHENX-OLZOCXBDSA-N 1 2 298.390 3.716 20 30 CHEDLO CC[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926843558 1128197905 /nfs/dbraw/zinc/19/79/05/1128197905.db2.gz WWLGSCYKCUWFQN-ZDUSSCGKSA-N 1 2 294.345 3.740 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1cccc(C#N)c1O ZINC000926552874 1128180121 /nfs/dbraw/zinc/18/01/21/1128180121.db2.gz ZBGLRLFKWFGORA-QGZVFWFLSA-N 1 2 295.386 3.517 20 30 CHEDLO N#CC1(CCCC[N@H+]2CCC[C@H]2C(F)F)CCC1 ZINC000930128606 1128302370 /nfs/dbraw/zinc/30/23/70/1128302370.db2.gz GMEKINRRCCXHAO-LBPRGKRZSA-N 1 2 256.340 3.580 20 30 CHEDLO N#CC1(CCCC[N@@H+]2CCC[C@H]2C(F)F)CCC1 ZINC000930128606 1128302374 /nfs/dbraw/zinc/30/23/74/1128302374.db2.gz GMEKINRRCCXHAO-LBPRGKRZSA-N 1 2 256.340 3.580 20 30 CHEDLO C[C@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000930202100 1128306444 /nfs/dbraw/zinc/30/64/44/1128306444.db2.gz JZVXVDGIMFYARL-LBPRGKRZSA-N 1 2 283.375 3.695 20 30 CHEDLO Cc1ccc(F)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1F ZINC000930220277 1128308423 /nfs/dbraw/zinc/30/84/23/1128308423.db2.gz WKQAIBPZOIVFRI-UHFFFAOYSA-N 1 2 298.336 3.924 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000916642105 1128435107 /nfs/dbraw/zinc/43/51/07/1128435107.db2.gz JANBUJKGIVXXMA-HNNXBMFYSA-N 1 2 294.398 3.841 20 30 CHEDLO Cc1cc(C)c(CC/[NH+]=C\c2cccc(O)c2O)c(C)c1 ZINC000917556611 1128507181 /nfs/dbraw/zinc/50/71/81/1128507181.db2.gz FKIWCZOEGKQDSL-ODLFYWEKSA-N 1 2 283.371 3.685 20 30 CHEDLO Oc1ccc(/C=[NH+]/CC2CCCCCCC2)c(O)c1O ZINC000917557864 1128507863 /nfs/dbraw/zinc/50/78/63/1128507863.db2.gz DEWLICGMEDVUHO-GZTJUZNOSA-N 1 2 277.364 3.583 20 30 CHEDLO C[N@H+](Cc1cccc(O)c1)Cc1ccc(Cl)cc1C#N ZINC000566044287 1128537578 /nfs/dbraw/zinc/53/75/78/1128537578.db2.gz VGSJOYYWOYUWIG-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(Cl)cc1C#N ZINC000566044287 1128537581 /nfs/dbraw/zinc/53/75/81/1128537581.db2.gz VGSJOYYWOYUWIG-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C=CCC[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000130656539 1128591072 /nfs/dbraw/zinc/59/10/72/1128591072.db2.gz JJPKCLRFNNJKDW-CQSZACIVSA-N 1 2 259.397 3.839 20 30 CHEDLO N#C[C@@H]1CC=C(Nc2ccc[nH+]c2N2CCCCC2)CC1 ZINC001212854817 1128600158 /nfs/dbraw/zinc/60/01/58/1128600158.db2.gz MSODSFKAZMYUIN-CQSZACIVSA-N 1 2 282.391 3.691 20 30 CHEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)CC(C)(C)C#N ZINC000556910013 1128641891 /nfs/dbraw/zinc/64/18/91/1128641891.db2.gz RUIAKXQNRBSDMU-UHFFFAOYSA-N 1 2 286.297 3.567 20 30 CHEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)CC(C)(C)C#N ZINC000556910013 1128641893 /nfs/dbraw/zinc/64/18/93/1128641893.db2.gz RUIAKXQNRBSDMU-UHFFFAOYSA-N 1 2 286.297 3.567 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(C(C)C)o1 ZINC000778995545 1128674614 /nfs/dbraw/zinc/67/46/14/1128674614.db2.gz BKRNAGGRMBAQHO-UHFFFAOYSA-N 1 2 274.364 3.622 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(C(C)C)o1 ZINC000778995545 1128674617 /nfs/dbraw/zinc/67/46/17/1128674617.db2.gz BKRNAGGRMBAQHO-UHFFFAOYSA-N 1 2 274.364 3.622 20 30 CHEDLO COC(=O)CCCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000920943691 1128695556 /nfs/dbraw/zinc/69/55/56/1128695556.db2.gz DCHVGUVYHHAOLK-UYRXBGFRSA-N 1 2 299.370 3.698 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000072692817 1117805810 /nfs/dbraw/zinc/80/58/10/1117805810.db2.gz KFEUFSAEYKZBBE-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000072692817 1117805815 /nfs/dbraw/zinc/80/58/15/1117805815.db2.gz KFEUFSAEYKZBBE-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000183330268 1118042941 /nfs/dbraw/zinc/04/29/41/1118042941.db2.gz VXAHOODSQMKXCI-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000183330268 1118042945 /nfs/dbraw/zinc/04/29/45/1118042945.db2.gz VXAHOODSQMKXCI-UHFFFAOYSA-N 1 2 289.379 3.665 20 30 CHEDLO COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H](C)C#N ZINC000183814951 1118049554 /nfs/dbraw/zinc/04/95/54/1118049554.db2.gz CTUWJHNHCWBAEJ-AWEZNQCLSA-N 1 2 280.371 3.611 20 30 CHEDLO C=CCCCCCN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001209432907 1118054896 /nfs/dbraw/zinc/05/48/96/1118054896.db2.gz MPXCHYKUHKFLEZ-OAHLLOKOSA-N 1 2 286.410 3.538 20 30 CHEDLO C=C(C)c1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000890888483 1118168020 /nfs/dbraw/zinc/16/80/20/1118168020.db2.gz DGMPEXFORCEOGB-ZDUSSCGKSA-N 1 2 269.348 3.506 20 30 CHEDLO Cc1cc[nH+]c2cc(Nc3cccnc3C#N)ccc12 ZINC001210146844 1118168885 /nfs/dbraw/zinc/16/88/85/1118168885.db2.gz DAQOMXIMDXDHSF-UHFFFAOYSA-N 1 2 260.300 3.554 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cccc(C#N)c1F ZINC000538096183 1118175270 /nfs/dbraw/zinc/17/52/70/1118175270.db2.gz ABFOFHOSHDNRSS-UHFFFAOYSA-N 1 2 286.375 3.947 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C#N)c1F ZINC000538096183 1118175272 /nfs/dbraw/zinc/17/52/72/1118175272.db2.gz ABFOFHOSHDNRSS-UHFFFAOYSA-N 1 2 286.375 3.947 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001210375849 1118264155 /nfs/dbraw/zinc/26/41/55/1118264155.db2.gz CXHOERYVRKUXTC-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO C=CCCCCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000683779662 1118359129 /nfs/dbraw/zinc/35/91/29/1118359129.db2.gz LOEFEZQTWATAKY-AWEZNQCLSA-N 1 2 277.412 3.905 20 30 CHEDLO C=CCCCCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000683779662 1118359134 /nfs/dbraw/zinc/35/91/34/1118359134.db2.gz LOEFEZQTWATAKY-AWEZNQCLSA-N 1 2 277.412 3.905 20 30 CHEDLO Cc1cc(C)c(NC(=O)c2cc(C)c(C#N)c(C)c2)c(C)[nH+]1 ZINC001125474135 1118505521 /nfs/dbraw/zinc/50/55/21/1118505521.db2.gz YDJSSPJZDCDVDB-UHFFFAOYSA-N 1 2 293.370 3.748 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(C#N)cn2C(C)(C)C)c1C ZINC001213523389 1118525845 /nfs/dbraw/zinc/52/58/45/1118525845.db2.gz QVSWLNKRFSGYLV-UHFFFAOYSA-N 1 2 268.364 3.870 20 30 CHEDLO C=CC[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000121319881 1118575605 /nfs/dbraw/zinc/57/56/05/1118575605.db2.gz WTJPNGULFOQMLW-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO C=CC[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000121319881 1118575609 /nfs/dbraw/zinc/57/56/09/1118575609.db2.gz WTJPNGULFOQMLW-UHFFFAOYSA-N 1 2 262.740 3.613 20 30 CHEDLO C=CC[C@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000668492522 1118667493 /nfs/dbraw/zinc/66/74/93/1118667493.db2.gz CNNIYMSGBRUULX-JTQLQIEISA-N 1 2 290.354 3.950 20 30 CHEDLO C=CC[C@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000668492522 1118667492 /nfs/dbraw/zinc/66/74/92/1118667492.db2.gz CNNIYMSGBRUULX-JTQLQIEISA-N 1 2 290.354 3.950 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430760302 1118768295 /nfs/dbraw/zinc/76/82/95/1118768295.db2.gz HCUQTLRWZSLHNT-HNNXBMFYSA-N 1 2 292.810 3.911 20 30 CHEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000891805350 1118785101 /nfs/dbraw/zinc/78/51/01/1118785101.db2.gz HYJOYOKUQKXGDP-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000891805350 1118785103 /nfs/dbraw/zinc/78/51/03/1118785103.db2.gz HYJOYOKUQKXGDP-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000162801333 1118789225 /nfs/dbraw/zinc/78/92/25/1118789225.db2.gz HQYUSTWBMVYHBU-JTQLQIEISA-N 1 2 291.807 3.827 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000247535774 1118859873 /nfs/dbraw/zinc/85/98/73/1118859873.db2.gz OREARRJUEUIZKP-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000247535774 1118859878 /nfs/dbraw/zinc/85/98/78/1118859878.db2.gz OREARRJUEUIZKP-DNVCBOLYSA-N 1 2 292.382 3.520 20 30 CHEDLO CC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Cl ZINC000610991857 1118916410 /nfs/dbraw/zinc/91/64/10/1118916410.db2.gz LWEDPXCTNDJCDA-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Cl ZINC000610991857 1118916412 /nfs/dbraw/zinc/91/64/12/1118916412.db2.gz LWEDPXCTNDJCDA-UHFFFAOYSA-N 1 2 285.778 3.629 20 30 CHEDLO C[N@H+](Cc1nc(C2CC2)cs1)Cc1ccc(C#N)cc1 ZINC000342695659 1119129200 /nfs/dbraw/zinc/12/92/00/1119129200.db2.gz PLOJXYHTVMOYRG-UHFFFAOYSA-N 1 2 283.400 3.524 20 30 CHEDLO C[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccc(C#N)cc1 ZINC000342695659 1119129202 /nfs/dbraw/zinc/12/92/02/1119129202.db2.gz PLOJXYHTVMOYRG-UHFFFAOYSA-N 1 2 283.400 3.524 20 30 CHEDLO C#Cc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213087950 1119343635 /nfs/dbraw/zinc/34/36/35/1119343635.db2.gz IOOOIYVFWJKFEU-UHFFFAOYSA-N 1 2 259.312 3.802 20 30 CHEDLO C#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC001213091792 1119443623 /nfs/dbraw/zinc/44/36/23/1119443623.db2.gz LMULFIJVUIUMJY-UHFFFAOYSA-N 1 2 277.302 3.941 20 30 CHEDLO N#Cc1c(F)ccc(F)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091901 1119445177 /nfs/dbraw/zinc/44/51/77/1119445177.db2.gz QNBWNPGUDAPKQK-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO CSc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612155542 1119736162 /nfs/dbraw/zinc/73/61/62/1119736162.db2.gz WPXFNKGMRNGYTR-OAHLLOKOSA-N 1 2 260.406 3.534 20 30 CHEDLO CSc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612155542 1119736159 /nfs/dbraw/zinc/73/61/59/1119736159.db2.gz WPXFNKGMRNGYTR-OAHLLOKOSA-N 1 2 260.406 3.534 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000612163118 1119738505 /nfs/dbraw/zinc/73/85/05/1119738505.db2.gz OBTXORJSERBLSF-JKSUJKDBSA-N 1 2 274.795 3.953 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000612163118 1119738509 /nfs/dbraw/zinc/73/85/09/1119738509.db2.gz OBTXORJSERBLSF-JKSUJKDBSA-N 1 2 274.795 3.953 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000780385131 1119761438 /nfs/dbraw/zinc/76/14/38/1119761438.db2.gz MCQLKYBPISNSIO-RKDXNWHRSA-N 1 2 286.135 3.558 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000780385131 1119761441 /nfs/dbraw/zinc/76/14/41/1119761441.db2.gz MCQLKYBPISNSIO-RKDXNWHRSA-N 1 2 286.135 3.558 20 30 CHEDLO CC(C)COc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612405645 1119784476 /nfs/dbraw/zinc/78/44/76/1119784476.db2.gz BWLCRNVHLHNJFX-GOSISDBHSA-N 1 2 286.419 3.847 20 30 CHEDLO CC(C)COc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612405645 1119784479 /nfs/dbraw/zinc/78/44/79/1119784479.db2.gz BWLCRNVHLHNJFX-GOSISDBHSA-N 1 2 286.419 3.847 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000612405587 1119784639 /nfs/dbraw/zinc/78/46/39/1119784639.db2.gz AQTDRXPPOJSMMK-GOSISDBHSA-N 1 2 284.403 3.601 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000612405587 1119784641 /nfs/dbraw/zinc/78/46/41/1119784641.db2.gz AQTDRXPPOJSMMK-GOSISDBHSA-N 1 2 284.403 3.601 20 30 CHEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000612588263 1119803651 /nfs/dbraw/zinc/80/36/51/1119803651.db2.gz WJOAZPKUCJILIA-UHFFFAOYSA-N 1 2 254.333 3.586 20 30 CHEDLO CC[N@H+](Cc1nc(C)c(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000066422004 1119886575 /nfs/dbraw/zinc/88/65/75/1119886575.db2.gz HVXFQPDXNQEBJI-CYBMUJFWSA-N 1 2 283.375 3.746 20 30 CHEDLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000066422004 1119886578 /nfs/dbraw/zinc/88/65/78/1119886578.db2.gz HVXFQPDXNQEBJI-CYBMUJFWSA-N 1 2 283.375 3.746 20 30 CHEDLO C[C@H](Nc1[nH+]cccc1[Si](C)(C)C)c1cccc(C#N)c1 ZINC001167707101 1120037189 /nfs/dbraw/zinc/03/71/89/1120037189.db2.gz CTAHGCWNJIEAOY-ZDUSSCGKSA-N 1 2 295.462 3.672 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)cc1F ZINC000122241518 1120080984 /nfs/dbraw/zinc/08/09/84/1120080984.db2.gz LHDTXQVLWZOVAR-SECBINFHSA-N 1 2 299.187 3.789 20 30 CHEDLO N#Cc1cc(Cl)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000301215825 1120132393 /nfs/dbraw/zinc/13/23/93/1120132393.db2.gz XTZVWDMMFQXZKK-UHFFFAOYSA-N 1 2 296.761 3.514 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@H]3CCNc4ccccc43)c2)CC1 ZINC001168643826 1120135334 /nfs/dbraw/zinc/13/53/34/1120135334.db2.gz BKADYXBTKRQYEB-INIZCTEOSA-N 1 2 290.370 3.606 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCSc1ccc(Cl)cc1 ZINC000175993956 1120192317 /nfs/dbraw/zinc/19/23/17/1120192317.db2.gz YRDCZHGMZMGICM-LLVKDONJSA-N 1 2 268.813 3.666 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000175993956 1120192320 /nfs/dbraw/zinc/19/23/20/1120192320.db2.gz YRDCZHGMZMGICM-LLVKDONJSA-N 1 2 268.813 3.666 20 30 CHEDLO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000341074266 1120216735 /nfs/dbraw/zinc/21/67/35/1120216735.db2.gz WSHFFPNGDWJPJA-LBPRGKRZSA-N 1 2 284.334 3.557 20 30 CHEDLO N#CC[N@@H+](CCCc1cccc(F)c1)C1CCCC1 ZINC000182802827 1120307855 /nfs/dbraw/zinc/30/78/55/1120307855.db2.gz ANFOGYFKQVZRGW-UHFFFAOYSA-N 1 2 260.356 3.526 20 30 CHEDLO N#CC[N@H+](CCCc1cccc(F)c1)C1CCCC1 ZINC000182802827 1120307858 /nfs/dbraw/zinc/30/78/58/1120307858.db2.gz ANFOGYFKQVZRGW-UHFFFAOYSA-N 1 2 260.356 3.526 20 30 CHEDLO C=CCOc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1OC ZINC000673618287 1120601196 /nfs/dbraw/zinc/60/11/96/1120601196.db2.gz ZGKYGMFBNFSGIS-OAHLLOKOSA-N 1 2 297.345 3.537 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000054182834 1120636994 /nfs/dbraw/zinc/63/69/94/1120636994.db2.gz FWOQDZXHRHUNPQ-CQSZACIVSA-N 1 2 272.323 3.868 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(C)(C)C)co1 ZINC000893421782 1120719764 /nfs/dbraw/zinc/71/97/64/1120719764.db2.gz RXQSAYDSRRRZHB-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(C)(C)C)co1 ZINC000893421782 1120719769 /nfs/dbraw/zinc/71/97/69/1120719769.db2.gz RXQSAYDSRRRZHB-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO C=CC[C@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000661380671 1120758881 /nfs/dbraw/zinc/75/88/81/1120758881.db2.gz IINZYSAECYHWAL-JTQLQIEISA-N 1 2 290.354 3.950 20 30 CHEDLO C=CC[C@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000661380671 1120758885 /nfs/dbraw/zinc/75/88/85/1120758885.db2.gz IINZYSAECYHWAL-JTQLQIEISA-N 1 2 290.354 3.950 20 30 CHEDLO C=C(C)CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661539963 1120776763 /nfs/dbraw/zinc/77/67/63/1120776763.db2.gz KJTIDUJVVYFRFM-NSHDSACASA-N 1 2 285.313 3.599 20 30 CHEDLO C=C(C)CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661539963 1120776767 /nfs/dbraw/zinc/77/67/67/1120776767.db2.gz KJTIDUJVVYFRFM-NSHDSACASA-N 1 2 285.313 3.599 20 30 CHEDLO Cc1[nH+]c2cc(OCCCC(C)(C)C#N)ccc2n1C ZINC000596286586 1120801731 /nfs/dbraw/zinc/80/17/31/1120801731.db2.gz SXUHIDDMAPLOIE-UHFFFAOYSA-N 1 2 271.364 3.591 20 30 CHEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)C(C)(C)C ZINC000661756620 1120809170 /nfs/dbraw/zinc/80/91/70/1120809170.db2.gz STLPHRCICCYQAP-UHFFFAOYSA-N 1 2 299.418 3.755 20 30 CHEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2C)no1)C(C)(C)C ZINC000661756620 1120809175 /nfs/dbraw/zinc/80/91/75/1120809175.db2.gz STLPHRCICCYQAP-UHFFFAOYSA-N 1 2 299.418 3.755 20 30 CHEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093478575 1120814770 /nfs/dbraw/zinc/81/47/70/1120814770.db2.gz IAZXLCRNKWIYTK-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093478575 1120814771 /nfs/dbraw/zinc/81/47/71/1120814771.db2.gz IAZXLCRNKWIYTK-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO C#Cc1cc(Nc2ccc(COC(C)(C)C)cc2)cc[nH+]1 ZINC001174911095 1121091312 /nfs/dbraw/zinc/09/13/12/1121091312.db2.gz HETSIHDJCNIFFI-UHFFFAOYSA-N 1 2 280.371 3.544 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1c(C)noc1C ZINC000182458155 1128972083 /nfs/dbraw/zinc/97/20/83/1128972083.db2.gz QAGLPIOMSLUFJU-OAHLLOKOSA-N 1 2 287.338 3.543 20 30 CHEDLO N#Cc1ccc(Cl)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350952 1121291901 /nfs/dbraw/zinc/29/19/01/1121291901.db2.gz KAIYCWVFWUAODJ-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO CC[N@H+](Cc1nc(C(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741824 1121314279 /nfs/dbraw/zinc/31/42/79/1121314279.db2.gz UHVRJQSWAWJZCL-ZDUSSCGKSA-N 1 2 298.390 3.648 20 30 CHEDLO CC[N@@H+](Cc1nc(C(C)C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741824 1121314288 /nfs/dbraw/zinc/31/42/88/1121314288.db2.gz UHVRJQSWAWJZCL-ZDUSSCGKSA-N 1 2 298.390 3.648 20 30 CHEDLO CCc1cc(OCC2(C#N)CCC2)c2ccccc2[nH+]1 ZINC000418920730 1121337172 /nfs/dbraw/zinc/33/71/72/1121337172.db2.gz ICTCWRWXXMHZSO-UHFFFAOYSA-N 1 2 266.344 3.870 20 30 CHEDLO Cc1oc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C#N)c1C ZINC001175705791 1121448367 /nfs/dbraw/zinc/44/83/67/1121448367.db2.gz HHMHYEYEULVJTB-UHFFFAOYSA-N 1 2 296.252 3.508 20 30 CHEDLO CC[N@@H+](Cc1cnc2ccc(C)cc2c1)C[C@@H](C)C#N ZINC000411206892 1121540890 /nfs/dbraw/zinc/54/08/90/1121540890.db2.gz FFVGICIMYYQWEU-AWEZNQCLSA-N 1 2 267.376 3.525 20 30 CHEDLO CC[N@H+](Cc1cnc2ccc(C)cc2c1)C[C@@H](C)C#N ZINC000411206892 1121540894 /nfs/dbraw/zinc/54/08/94/1121540894.db2.gz FFVGICIMYYQWEU-AWEZNQCLSA-N 1 2 267.376 3.525 20 30 CHEDLO COc1cc[nH+]cc1Nc1sc2c(c1C#N)CCCC2 ZINC001176119754 1121557265 /nfs/dbraw/zinc/55/72/65/1121557265.db2.gz YDMRUINDHYUEEK-UHFFFAOYSA-N 1 2 285.372 3.646 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000611091549 1121627424 /nfs/dbraw/zinc/62/74/24/1121627424.db2.gz WACUMFTUENPALH-NSHDSACASA-N 1 2 282.309 3.829 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000611091549 1121627427 /nfs/dbraw/zinc/62/74/27/1121627427.db2.gz WACUMFTUENPALH-NSHDSACASA-N 1 2 282.309 3.829 20 30 CHEDLO O=C1c2ccc(F)cc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000255339235 1121701331 /nfs/dbraw/zinc/70/13/31/1121701331.db2.gz LIBMAIZZZRAHHW-QBFSEMIESA-N 1 2 292.313 3.686 20 30 CHEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000120571564 1121718421 /nfs/dbraw/zinc/71/84/21/1121718421.db2.gz NOXNFIARWSONCD-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO N#Cc1csc(C[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000120571564 1121718427 /nfs/dbraw/zinc/71/84/27/1121718427.db2.gz NOXNFIARWSONCD-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2F)cc1F ZINC000727650713 1121730800 /nfs/dbraw/zinc/73/08/00/1121730800.db2.gz RDOHDUAOGRKCGD-UHFFFAOYSA-N 1 2 293.292 3.616 20 30 CHEDLO CC(C)(C)n1cc(C#N)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204950591 1121778331 /nfs/dbraw/zinc/77/83/31/1121778331.db2.gz ACWADWHUGJCNMM-UHFFFAOYSA-N 1 2 279.347 3.506 20 30 CHEDLO CCOc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730146392 1121795298 /nfs/dbraw/zinc/79/52/98/1121795298.db2.gz UMUWYBYWASSCHN-UHFFFAOYSA-N 1 2 291.354 3.501 20 30 CHEDLO C=C[C@@](C)(CC)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280239484 1121881615 /nfs/dbraw/zinc/88/16/15/1121881615.db2.gz OVLLPAIPWCPHBV-KRWDZBQOSA-N 1 2 283.375 3.926 20 30 CHEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCc3ccccc32)c(O)c1 ZINC000731937647 1121897487 /nfs/dbraw/zinc/89/74/87/1121897487.db2.gz LSFYSZIUKCBOCN-NPRIEWAGSA-N 1 2 295.382 3.940 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(O)c(F)c1)Cc1ccccc1F ZINC001180175470 1121954170 /nfs/dbraw/zinc/95/41/70/1121954170.db2.gz UURGDGNPSUWEPB-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO C=CC[N@H+](Cc1ccc(O)c(F)c1)Cc1ccccc1F ZINC001180175470 1121954174 /nfs/dbraw/zinc/95/41/74/1121954174.db2.gz UURGDGNPSUWEPB-UHFFFAOYSA-N 1 2 289.325 3.859 20 30 CHEDLO COCCC1(C/[NH+]=C\c2ccccc2O)CCCCC1 ZINC000773904080 1122036802 /nfs/dbraw/zinc/03/68/02/1122036802.db2.gz BQOLORJSGPHKHD-AQTBWJFISA-N 1 2 275.392 3.798 20 30 CHEDLO Cc1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000271799850 1122176665 /nfs/dbraw/zinc/17/66/65/1122176665.db2.gz PBXPMCCQWKVZMS-CQSZACIVSA-N 1 2 271.389 3.586 20 30 CHEDLO C=CCOCCCNc1[nH+]c2ccccc2cc1C ZINC000664384580 1122307436 /nfs/dbraw/zinc/30/74/36/1122307436.db2.gz CYEMIBVRLLZMJT-UHFFFAOYSA-N 1 2 256.349 3.548 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1Br ZINC000775179152 1122467379 /nfs/dbraw/zinc/46/73/79/1122467379.db2.gz LICNMQBLARKRPR-SECBINFHSA-N 1 2 286.600 3.556 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1Br ZINC000775179152 1122467382 /nfs/dbraw/zinc/46/73/82/1122467382.db2.gz LICNMQBLARKRPR-SECBINFHSA-N 1 2 286.600 3.556 20 30 CHEDLO CCC[N@H+](CC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437690675 1122649850 /nfs/dbraw/zinc/64/98/50/1122649850.db2.gz ZPBKMYGJZFRVTR-IRXDYDNUSA-N 1 2 256.393 3.732 20 30 CHEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1C(C)C ZINC001194019323 1122739353 /nfs/dbraw/zinc/73/93/53/1122739353.db2.gz HNMCTVLTQBQBGI-UHFFFAOYSA-N 1 2 281.400 3.661 20 30 CHEDLO CCCCCCCCOC(=O)NCCOc1cc[nH+]cc1 ZINC001194753371 1122795822 /nfs/dbraw/zinc/79/58/22/1122795822.db2.gz IZILNUMKDUETAZ-UHFFFAOYSA-N 1 2 294.395 3.547 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1Br ZINC000426551847 1122819959 /nfs/dbraw/zinc/81/99/59/1122819959.db2.gz HZFFJOUAMUQLMN-LBPRGKRZSA-N 1 2 296.208 3.695 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000426551847 1122819967 /nfs/dbraw/zinc/81/99/67/1122819967.db2.gz HZFFJOUAMUQLMN-LBPRGKRZSA-N 1 2 296.208 3.695 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Cl)cc1 ZINC000894551912 1122872311 /nfs/dbraw/zinc/87/23/11/1122872311.db2.gz BCHBJKMVTDPEFW-KRWDZBQOSA-N 1 2 299.805 3.726 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(Cl)cc1 ZINC000894553122 1122873767 /nfs/dbraw/zinc/87/37/67/1122873767.db2.gz OHCBPPHVCGNTSS-KRWDZBQOSA-N 1 2 299.805 3.726 20 30 CHEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001195863309 1122895017 /nfs/dbraw/zinc/89/50/17/1122895017.db2.gz RFXRQOCVIQTJRM-SJORKVTESA-N 1 2 291.822 3.581 20 30 CHEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001195863309 1122895021 /nfs/dbraw/zinc/89/50/21/1122895021.db2.gz RFXRQOCVIQTJRM-SJORKVTESA-N 1 2 291.822 3.581 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001196348552 1122918066 /nfs/dbraw/zinc/91/80/66/1122918066.db2.gz OQMLRMAGMHKGHJ-SWLSCSKDSA-N 1 2 292.220 3.998 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001196348552 1122918069 /nfs/dbraw/zinc/91/80/69/1122918069.db2.gz OQMLRMAGMHKGHJ-SWLSCSKDSA-N 1 2 292.220 3.998 20 30 CHEDLO C=C(C)CCSCc1[nH+]cc(C)c(OC)c1C ZINC000507098266 1122924758 /nfs/dbraw/zinc/92/47/58/1122924758.db2.gz OVLFNVUDDPVVLW-UHFFFAOYSA-N 1 2 251.395 3.906 20 30 CHEDLO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC#N ZINC000441064943 1123054326 /nfs/dbraw/zinc/05/43/26/1123054326.db2.gz INKXQKCAJJOGAW-DNVCBOLYSA-N 1 2 276.383 3.589 20 30 CHEDLO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC#N ZINC000441064943 1123054329 /nfs/dbraw/zinc/05/43/29/1123054329.db2.gz INKXQKCAJJOGAW-DNVCBOLYSA-N 1 2 276.383 3.589 20 30 CHEDLO Cc1ncsc1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000441160685 1123062504 /nfs/dbraw/zinc/06/25/04/1123062504.db2.gz XQWUSQTZXWFNKW-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1ncsc1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441160685 1123062508 /nfs/dbraw/zinc/06/25/08/1123062508.db2.gz XQWUSQTZXWFNKW-UHFFFAOYSA-N 1 2 290.819 3.588 20 30 CHEDLO Cc1c(Cl)cccc1N[NH+]=Cc1cnccc1N(C)C ZINC000776186147 1123102314 /nfs/dbraw/zinc/10/23/14/1123102314.db2.gz RMFCFJCYQRLBOC-UHFFFAOYSA-N 1 2 288.782 3.555 20 30 CHEDLO Cc1ncc(C#N)cc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201488866 1123108460 /nfs/dbraw/zinc/10/84/60/1123108460.db2.gz KNKJPYKYJUOGLP-UHFFFAOYSA-N 1 2 266.348 3.826 20 30 CHEDLO Cc1cnc(C#N)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201488704 1123108627 /nfs/dbraw/zinc/10/86/27/1123108627.db2.gz HBMPUCXNFLPBKW-UHFFFAOYSA-N 1 2 266.348 3.826 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(C#N)cc2O)cc1 ZINC001201499853 1123112564 /nfs/dbraw/zinc/11/25/64/1123112564.db2.gz QSWAOBFPGMXYKG-UHFFFAOYSA-N 1 2 267.332 3.828 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2ccc(O)cc2C#N)cc1 ZINC001201500259 1123112597 /nfs/dbraw/zinc/11/25/97/1123112597.db2.gz WTWIGUNPVMPCIG-UHFFFAOYSA-N 1 2 267.332 3.828 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001201839674 1123154785 /nfs/dbraw/zinc/15/47/85/1123154785.db2.gz PKLUPAIZTLMCID-CQSZACIVSA-N 1 2 257.393 3.740 20 30 CHEDLO CCCCCCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001201839674 1123154789 /nfs/dbraw/zinc/15/47/89/1123154789.db2.gz PKLUPAIZTLMCID-CQSZACIVSA-N 1 2 257.393 3.740 20 30 CHEDLO C[C@@H](C/[NH+]=C/c1ccccc1O)COCc1ccccc1 ZINC000193686034 1129105443 /nfs/dbraw/zinc/10/54/43/1129105443.db2.gz DIIWVYYCCWIMHJ-UZUMKDMXSA-N 1 2 283.371 3.664 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000442903938 1123349195 /nfs/dbraw/zinc/34/91/95/1123349195.db2.gz UJAOOPSMHSIMGW-LBPRGKRZSA-N 1 2 281.359 3.617 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000442903938 1123349199 /nfs/dbraw/zinc/34/91/99/1123349199.db2.gz UJAOOPSMHSIMGW-LBPRGKRZSA-N 1 2 281.359 3.617 20 30 CHEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329498719 1123616255 /nfs/dbraw/zinc/61/62/55/1123616255.db2.gz XXNTVCFNHHNYAJ-BFHYXJOUSA-N 1 2 275.396 3.658 20 30 CHEDLO C=C(Cl)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000859469479 1123699217 /nfs/dbraw/zinc/69/92/17/1123699217.db2.gz SGRYCWWIPDCPRO-UHFFFAOYSA-N 1 2 266.797 3.874 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1c(C)onc1-c1ccccc1 ZINC001141988289 1123796715 /nfs/dbraw/zinc/79/67/15/1123796715.db2.gz PAGIGMBGLQZIHP-UHFFFAOYSA-N 1 2 283.375 3.776 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1c(C)onc1-c1ccccc1 ZINC001141988289 1123796716 /nfs/dbraw/zinc/79/67/16/1123796716.db2.gz PAGIGMBGLQZIHP-UHFFFAOYSA-N 1 2 283.375 3.776 20 30 CHEDLO Cc1ccccc1CC(N)=[NH+]O[C@H](C)c1ccc(C#N)cc1 ZINC000794719197 1123943594 /nfs/dbraw/zinc/94/35/94/1123943594.db2.gz CEZUOYNLYOXWPH-CQSZACIVSA-N 1 2 293.370 3.669 20 30 CHEDLO CC(C)(C)c1cn(Cc2ccc(C#N)cc2Cl)c[nH+]1 ZINC000865376377 1123976239 /nfs/dbraw/zinc/97/62/39/1123976239.db2.gz LDYMWTNGYIJTAS-UHFFFAOYSA-N 1 2 273.767 3.754 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc(C#N)c1O ZINC000866249119 1124041896 /nfs/dbraw/zinc/04/18/96/1124041896.db2.gz HWVGRAAJPFXRDF-GTNSWQLSSA-N 1 2 296.345 3.741 20 30 CHEDLO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CC2 ZINC000866294840 1124047902 /nfs/dbraw/zinc/04/79/02/1124047902.db2.gz XCMRRYSJIMBGJV-UGSOOPFHSA-N 1 2 292.382 3.910 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866294033 1124048366 /nfs/dbraw/zinc/04/83/66/1124048366.db2.gz JRBOUIJOPXRQOW-GTNSWQLSSA-N 1 2 296.345 3.741 20 30 CHEDLO Cc1ccsc1CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866312481 1124050726 /nfs/dbraw/zinc/05/07/26/1124050726.db2.gz USVGUPPSCDFXTH-GFCCVEGCSA-N 1 2 286.400 3.527 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000444733770 1124056038 /nfs/dbraw/zinc/05/60/38/1124056038.db2.gz KBGDQEDXNQSGTP-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000444733770 1124056040 /nfs/dbraw/zinc/05/60/40/1124056040.db2.gz KBGDQEDXNQSGTP-UHFFFAOYSA-N 1 2 286.325 3.777 20 30 CHEDLO Cc1ccccc1C1([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866380302 1124059924 /nfs/dbraw/zinc/05/99/24/1124059924.db2.gz ASMKOCVXTDEUJR-AWEZNQCLSA-N 1 2 292.382 3.912 20 30 CHEDLO N#Cc1c(F)cccc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000428420397 1124104801 /nfs/dbraw/zinc/10/48/01/1124104801.db2.gz DHKDFVCBRABVOT-UHFFFAOYSA-N 1 2 292.357 3.745 20 30 CHEDLO N#Cc1c(F)cccc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000428420397 1124104802 /nfs/dbraw/zinc/10/48/02/1124104802.db2.gz DHKDFVCBRABVOT-UHFFFAOYSA-N 1 2 292.357 3.745 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000447325616 1124464770 /nfs/dbraw/zinc/46/47/70/1124464770.db2.gz OOBNOXMMUZLEDH-SECBINFHSA-N 1 2 269.175 3.948 20 30 CHEDLO CC1CCC(C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000447904521 1124543009 /nfs/dbraw/zinc/54/30/09/1124543009.db2.gz QMFGIVYDRLRQFN-OPQOLIRYSA-N 1 2 290.451 3.740 20 30 CHEDLO CC1CCC(C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000447904521 1124543020 /nfs/dbraw/zinc/54/30/20/1124543020.db2.gz QMFGIVYDRLRQFN-OPQOLIRYSA-N 1 2 290.451 3.740 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)cc2F)c1 ZINC000527362157 1124574884 /nfs/dbraw/zinc/57/48/84/1124574884.db2.gz PQOVVSIYZYFOJX-UHFFFAOYSA-N 1 2 275.714 3.552 20 30 CHEDLO C/C(Cl)=C/C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000528392985 1124651840 /nfs/dbraw/zinc/65/18/40/1124651840.db2.gz HMVYOHLKUBCJTO-WTEYMAAXSA-N 1 2 274.795 3.901 20 30 CHEDLO C/C(Cl)=C/C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000528392985 1124651844 /nfs/dbraw/zinc/65/18/44/1124651844.db2.gz HMVYOHLKUBCJTO-WTEYMAAXSA-N 1 2 274.795 3.901 20 30 CHEDLO CC(C)(C)c1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000873152520 1124743555 /nfs/dbraw/zinc/74/35/55/1124743555.db2.gz RWAIZBBTFULKIQ-UHFFFAOYSA-N 1 2 286.350 3.878 20 30 CHEDLO N#Cc1ccc(/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001239297552 1131312055 /nfs/dbraw/zinc/31/20/55/1131312055.db2.gz STNRYBKBDASGGN-OWOJBTEDSA-N 1 2 285.350 3.973 20 30 CHEDLO COc1cc2[nH+]c[nH]c2cc1C=Cc1ccc(C#N)cc1 ZINC001239297134 1131312158 /nfs/dbraw/zinc/31/21/58/1131312158.db2.gz LGKBIVSIBXIUHI-VOTSOKGWSA-N 1 2 275.311 3.614 20 30 CHEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000876864340 1124985291 /nfs/dbraw/zinc/98/52/91/1124985291.db2.gz QPJCGWKQQYXSRG-CQSZACIVSA-N 1 2 289.448 3.592 20 30 CHEDLO C#C[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(Cl)cc1 ZINC000877540560 1125043232 /nfs/dbraw/zinc/04/32/32/1125043232.db2.gz CFTHERFOSGIVMP-SJCJKPOMSA-N 1 2 299.805 3.772 20 30 CHEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)(C)C)nc1Cl ZINC000878120684 1125122285 /nfs/dbraw/zinc/12/22/85/1125122285.db2.gz AFICIIPZHQMXFI-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)nc1Cl ZINC000878120684 1125122289 /nfs/dbraw/zinc/12/22/89/1125122289.db2.gz AFICIIPZHQMXFI-UHFFFAOYSA-N 1 2 279.815 3.805 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC000878992474 1125189224 /nfs/dbraw/zinc/18/92/24/1125189224.db2.gz ZHWCYLAHVPHEDS-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3ccc(Cl)cc3n2)C1 ZINC000878992474 1125189226 /nfs/dbraw/zinc/18/92/26/1125189226.db2.gz ZHWCYLAHVPHEDS-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[N@H+](Cc1cscc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000880360297 1125266664 /nfs/dbraw/zinc/26/66/64/1125266664.db2.gz TWSCQOOOGDXKJA-GXSJLCMTSA-N 1 2 299.237 3.635 20 30 CHEDLO C[N@@H+](Cc1cscc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000880360297 1125266668 /nfs/dbraw/zinc/26/66/68/1125266668.db2.gz TWSCQOOOGDXKJA-GXSJLCMTSA-N 1 2 299.237 3.635 20 30 CHEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccsc2)n1 ZINC000191758424 1125328015 /nfs/dbraw/zinc/32/80/15/1125328015.db2.gz IITCCJINQYRXGN-UHFFFAOYSA-N 1 2 294.445 3.506 20 30 CHEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccsc2)n1 ZINC000191758424 1125328019 /nfs/dbraw/zinc/32/80/19/1125328019.db2.gz IITCCJINQYRXGN-UHFFFAOYSA-N 1 2 294.445 3.506 20 30 CHEDLO C=CCCC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000882235438 1125341722 /nfs/dbraw/zinc/34/17/22/1125341722.db2.gz PBLHOAQYQKLNLV-MRXNPFEDSA-N 1 2 297.402 3.556 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c(F)c1 ZINC000883382299 1125406931 /nfs/dbraw/zinc/40/69/31/1125406931.db2.gz DKVJQRFBRKXWFV-AEFFLSMTSA-N 1 2 298.336 3.813 20 30 CHEDLO CC[N@H+](C)c1ccc(NC2=CC[C@H](C#N)CC2)cc1 ZINC001212868354 1129204766 /nfs/dbraw/zinc/20/47/66/1129204766.db2.gz OGUPMUJWOOJIKA-ZDUSSCGKSA-N 1 2 255.365 3.762 20 30 CHEDLO CC[N@@H+](C)c1ccc(NC2=CC[C@H](C#N)CC2)cc1 ZINC001212868354 1129204769 /nfs/dbraw/zinc/20/47/69/1129204769.db2.gz OGUPMUJWOOJIKA-ZDUSSCGKSA-N 1 2 255.365 3.762 20 30 CHEDLO CCc1ccc(CC/[NH+]=C/c2cc(OC)ccc2O)cc1 ZINC000735978754 1129361288 /nfs/dbraw/zinc/36/12/88/1129361288.db2.gz LBTNIJLSDIQQTR-CPNJWEJPSA-N 1 2 283.371 3.625 20 30 CHEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2ccc(C)cc2)c1O ZINC000737440911 1129447131 /nfs/dbraw/zinc/44/71/31/1129447131.db2.gz UDOFLHDJCKUQTF-ONDHQXCVSA-N 1 2 283.371 3.932 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccnc1Cl ZINC000822525598 1131385245 /nfs/dbraw/zinc/38/52/45/1131385245.db2.gz JKNXEPOSVPQUQF-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1Cl ZINC000822525598 1131385250 /nfs/dbraw/zinc/38/52/50/1131385250.db2.gz JKNXEPOSVPQUQF-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C#CC[N@@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000746136869 1129627015 /nfs/dbraw/zinc/62/70/15/1129627015.db2.gz KDXHOBHFHNCJHB-UHFFFAOYSA-N 1 2 254.160 3.591 20 30 CHEDLO C#CC[N@H+](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000746136869 1129627016 /nfs/dbraw/zinc/62/70/16/1129627016.db2.gz KDXHOBHFHNCJHB-UHFFFAOYSA-N 1 2 254.160 3.591 20 30 CHEDLO CCOc1ccc(/C=[NH+]/CC[C@@H](OCC)C(C)C)c(O)c1 ZINC000746394056 1129654894 /nfs/dbraw/zinc/65/48/94/1129654894.db2.gz NITFYUNUCLWRLA-YPOUMIDOSA-N 1 2 293.407 3.661 20 30 CHEDLO Cc1ccc([C@H](C)Nc2cc(C3(C#N)CC3)cc[nH+]2)nc1 ZINC001168852784 1129676668 /nfs/dbraw/zinc/67/66/68/1129676668.db2.gz VHIHEHUMVPJRFM-ZDUSSCGKSA-N 1 2 278.359 3.513 20 30 CHEDLO N#CCC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccco1 ZINC000822663946 1131393598 /nfs/dbraw/zinc/39/35/98/1131393598.db2.gz JMLKNBQZAACKTH-NSHDSACASA-N 1 2 287.190 3.579 20 30 CHEDLO N#CCC[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccco1 ZINC000822663946 1131393600 /nfs/dbraw/zinc/39/36/00/1131393600.db2.gz JMLKNBQZAACKTH-NSHDSACASA-N 1 2 287.190 3.579 20 30 CHEDLO CSc1cc(NC23CCC(C#N)(CC2)CC3)nc(C)[nH+]1 ZINC001169746911 1129751828 /nfs/dbraw/zinc/75/18/28/1129751828.db2.gz SXPKXSUAGPBTFQ-UHFFFAOYSA-N 1 2 288.420 3.535 20 30 CHEDLO C=CCCn1cc(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)nn1 ZINC000653574955 1129785886 /nfs/dbraw/zinc/78/58/86/1129785886.db2.gz ZVVIFCXUAVIMAZ-OAHLLOKOSA-N 1 2 296.418 3.580 20 30 CHEDLO C=CCCn1cc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)nn1 ZINC000653574955 1129785888 /nfs/dbraw/zinc/78/58/88/1129785888.db2.gz ZVVIFCXUAVIMAZ-OAHLLOKOSA-N 1 2 296.418 3.580 20 30 CHEDLO CCOc1cccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901466831 1129927652 /nfs/dbraw/zinc/92/76/52/1129927652.db2.gz BJYHMBFXPXQZPH-HJWRWDBZSA-N 1 2 284.359 3.759 20 30 CHEDLO Cc1[nH]c(/C=C/C(=O)c2cccc(C)c2C)[nH+]c1C ZINC000901476113 1129928181 /nfs/dbraw/zinc/92/81/81/1129928181.db2.gz DAQYUPMOVQQDQV-CMDGGOBGSA-N 1 2 254.333 3.539 20 30 CHEDLO CCN(C)c1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901479976 1129929160 /nfs/dbraw/zinc/92/91/60/1129929160.db2.gz BHIONAXPFVSIFU-KHPPLWFESA-N 1 2 297.402 3.816 20 30 CHEDLO Cc1[nH]c(/C=C2\CCc3c(C)ccc(C)c3C2=O)[nH+]c1C ZINC000901489390 1129930499 /nfs/dbraw/zinc/93/04/99/1129930499.db2.gz KKZUFSSYAHMQQU-NTEUORMPSA-N 1 2 280.371 3.856 20 30 CHEDLO COc1cccc2c1CC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901504874 1129931995 /nfs/dbraw/zinc/93/19/95/1129931995.db2.gz PFZHRGBLWZQZHP-UKTHLTGXSA-N 1 2 296.370 3.685 20 30 CHEDLO CSc1ccc2c(c1)C(=O)/C(=C\c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901525143 1129933371 /nfs/dbraw/zinc/93/33/71/1129933371.db2.gz TWPBDIFGSGCOPH-JYRVWZFOSA-N 1 2 298.411 3.961 20 30 CHEDLO CCn1c[nH+]cc1/C=C1/C[C@H](C)c2ccsc2C1=O ZINC000901518558 1129933597 /nfs/dbraw/zinc/93/35/97/1129933597.db2.gz MDHUSMRDZLMAKL-QBQSQJOESA-N 1 2 272.373 3.738 20 30 CHEDLO C=CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000769990580 1129934589 /nfs/dbraw/zinc/93/45/89/1129934589.db2.gz URQNXQNQXQYCHH-SNVBAGLBSA-N 1 2 255.308 3.677 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(C(F)F)nc1 ZINC000901540785 1129935356 /nfs/dbraw/zinc/93/53/56/1129935356.db2.gz CXKOYKMGZSBYHD-GQCTYLIASA-N 1 2 291.301 3.693 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4c(cccc4F)C3=O)n2c1 ZINC000771860149 1129994171 /nfs/dbraw/zinc/99/41/71/1129994171.db2.gz PXAPPLWCJBTPSU-GHXNOFRVSA-N 1 2 292.313 3.604 20 30 CHEDLO CCC(CC)[C@H](CC/[NH+]=C\c1cc(OC)ccc1O)OC ZINC000746521244 1130001270 /nfs/dbraw/zinc/00/12/70/1130001270.db2.gz GBYFPXYRUJFVIN-KMTKGMGQSA-N 1 2 293.407 3.661 20 30 CHEDLO N#CCOc1ccccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001212598188 1130017506 /nfs/dbraw/zinc/01/75/06/1130017506.db2.gz IBLBJQJCUMBDBK-UHFFFAOYSA-N 1 2 298.733 3.634 20 30 CHEDLO CC(=O)c1cccc(-c2ccc([NH+]=CN(C)C)c(C#N)c2)c1 ZINC001239638791 1130029392 /nfs/dbraw/zinc/02/93/92/1130029392.db2.gz IKOWCDRLESCRJL-UDWIEESQSA-N 1 2 291.354 3.649 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cccc(F)c1F ZINC000902891152 1130079784 /nfs/dbraw/zinc/07/97/84/1130079784.db2.gz OGFLBFNNLGYYIN-MNOVXSKESA-N 1 2 287.313 3.643 20 30 CHEDLO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903030751 1130101906 /nfs/dbraw/zinc/10/19/06/1130101906.db2.gz FROAQELYTMDHJU-NSHDSACASA-N 1 2 278.783 3.693 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1csc(Cl)c1 ZINC000903264822 1130139216 /nfs/dbraw/zinc/13/92/16/1130139216.db2.gz WGWCRRRLRJMFAX-SSDOTTSWSA-N 1 2 283.809 3.580 20 30 CHEDLO C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cccc(C#N)c1O ZINC000903284275 1130146259 /nfs/dbraw/zinc/14/62/59/1130146259.db2.gz WAOHSTZXUVWMIR-AAEUAGOBSA-N 1 2 290.432 3.589 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(F)cc3)n21 ZINC000748994589 1130258032 /nfs/dbraw/zinc/25/80/32/1130258032.db2.gz PABYJERDCRZLHI-MDZDMXLPSA-N 1 2 280.302 3.678 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)cc1 ZINC000748999752 1130259142 /nfs/dbraw/zinc/25/91/42/1130259142.db2.gz LICGHUIHQQGQAR-KHPPLWFESA-N 1 2 276.339 3.847 20 30 CHEDLO C=C(Br)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000749115876 1130265066 /nfs/dbraw/zinc/26/50/66/1130265066.db2.gz UOUSVWQZZBWLNR-GWCFXTLKSA-N 1 2 266.182 3.588 20 30 CHEDLO C=C(Br)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000749115876 1130265071 /nfs/dbraw/zinc/26/50/71/1130265071.db2.gz UOUSVWQZZBWLNR-GWCFXTLKSA-N 1 2 266.182 3.588 20 30 CHEDLO Cc1cccnc1N[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000790186733 1130295916 /nfs/dbraw/zinc/29/59/16/1130295916.db2.gz QULQIZPVECJNES-UHFFFAOYSA-N 1 2 294.402 3.826 20 30 CHEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCC(F)(F)C2)CC1 ZINC001170379017 1130489389 /nfs/dbraw/zinc/48/93/89/1130489389.db2.gz OSTZBWSZMHYJHU-UHFFFAOYSA-N 1 2 290.357 3.732 20 30 CHEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCC(F)(F)C2)CC1 ZINC001170379017 1130489390 /nfs/dbraw/zinc/48/93/90/1130489390.db2.gz OSTZBWSZMHYJHU-UHFFFAOYSA-N 1 2 290.357 3.732 20 30 CHEDLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(Cl)c1C#N ZINC001244723933 1130609128 /nfs/dbraw/zinc/60/91/28/1130609128.db2.gz IHVVJZXWXJNMSO-UHFFFAOYSA-N 1 2 271.751 3.648 20 30 CHEDLO C=CCC(CC=C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000759008097 1130633117 /nfs/dbraw/zinc/63/31/17/1130633117.db2.gz QMCLGCLTLANUPX-UHFFFAOYSA-N 1 2 296.370 3.684 20 30 CHEDLO CC(C)c1[nH+]c(C=NOC/C=C/Cl)c2ccccn21 ZINC000811671719 1130635928 /nfs/dbraw/zinc/63/59/28/1130635928.db2.gz KDRQLOKNKCYQMS-PJEOCDJNSA-N 1 2 277.755 3.561 20 30 CHEDLO O=C1c2c(cccc2Cl)O/C1=C/c1cccc2[nH+]ccn21 ZINC000811699831 1130640568 /nfs/dbraw/zinc/64/05/68/1130640568.db2.gz XPLXRUWSZQSRCJ-UKTHLTGXSA-N 1 2 296.713 3.604 20 30 CHEDLO C=CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000780471031 1130680246 /nfs/dbraw/zinc/68/02/46/1130680246.db2.gz ADRFMQNVUQATAC-GDBMZVCRSA-N 1 2 275.392 3.577 20 30 CHEDLO C=CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000780471031 1130680251 /nfs/dbraw/zinc/68/02/51/1130680251.db2.gz ADRFMQNVUQATAC-GDBMZVCRSA-N 1 2 275.392 3.577 20 30 CHEDLO Fc1cc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)ccn1 ZINC000781133833 1130704821 /nfs/dbraw/zinc/70/48/21/1130704821.db2.gz UOFPATHTHAWTIB-UHFFFAOYSA-N 1 2 298.365 3.657 20 30 CHEDLO N#Cc1cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)ccc1F ZINC001235897536 1130797021 /nfs/dbraw/zinc/79/70/21/1130797021.db2.gz AQTDEJOSSOWJLX-UHFFFAOYSA-N 1 2 281.265 3.689 20 30 CHEDLO C=CCC[C@H](C(=O)OCCCn1cc[nH+]c1)c1ccccc1 ZINC000784826751 1130918776 /nfs/dbraw/zinc/91/87/76/1130918776.db2.gz XCNXDKOMJZGFOP-KRWDZBQOSA-N 1 2 298.386 3.566 20 30 CHEDLO CCC(=[NH+]OCc1cccnc1)c1ccc(Cl)c(N)c1 ZINC000814884396 1130936038 /nfs/dbraw/zinc/93/60/38/1130936038.db2.gz WGEFUCVFVGNCDX-UHFFFAOYSA-N 1 2 289.766 3.648 20 30 CHEDLO Cn1c[nH+]cc1-c1ccc(-c2ccc(C#N)cc2F)cc1 ZINC001236531785 1130966587 /nfs/dbraw/zinc/96/65/87/1130966587.db2.gz NUEATUCWMUHVJI-UHFFFAOYSA-N 1 2 277.302 3.765 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(Br)cccc1OC ZINC001236675755 1130991818 /nfs/dbraw/zinc/99/18/18/1130991818.db2.gz IBXNUSSPPDKUHY-UHFFFAOYSA-N 1 2 298.224 3.856 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(Br)cccc1OC ZINC001236675755 1130991822 /nfs/dbraw/zinc/99/18/22/1130991822.db2.gz IBXNUSSPPDKUHY-UHFFFAOYSA-N 1 2 298.224 3.856 20 30 CHEDLO N#CCOc1ccc(Nc2ccc([NH+]3CCCC3)cc2)cc1 ZINC001212608271 1131001492 /nfs/dbraw/zinc/00/14/92/1131001492.db2.gz YGWFVFLMNCDGJI-UHFFFAOYSA-N 1 2 293.370 3.933 20 30 CHEDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000777602299 1131012154 /nfs/dbraw/zinc/01/21/54/1131012154.db2.gz KDRLLSUXULKRMA-GFCCVEGCSA-N 1 2 283.350 3.936 20 30 CHEDLO N#CCC[N@@H+](Cc1c(O)ccc(F)c1Cl)C1CCCC1 ZINC001237124856 1131054462 /nfs/dbraw/zinc/05/44/62/1131054462.db2.gz OLAGVGGHQDAIRC-UHFFFAOYSA-N 1 2 296.773 3.843 20 30 CHEDLO N#CCC[N@H+](Cc1c(O)ccc(F)c1Cl)C1CCCC1 ZINC001237124856 1131054467 /nfs/dbraw/zinc/05/44/67/1131054467.db2.gz OLAGVGGHQDAIRC-UHFFFAOYSA-N 1 2 296.773 3.843 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1ccnc(F)c1C)c1ccc(Cl)cc1 ZINC001206084801 1131079864 /nfs/dbraw/zinc/07/98/64/1131079864.db2.gz NXBXUFAFEWCSGF-OAHLLOKOSA-N 1 2 288.753 3.647 20 30 CHEDLO C[C@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)Cc2ccccc21 ZINC001237524217 1131110310 /nfs/dbraw/zinc/11/03/10/1131110310.db2.gz GVGQPNKBHFJLOG-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)Cc2ccccc21 ZINC001237524217 1131110312 /nfs/dbraw/zinc/11/03/12/1131110312.db2.gz GVGQPNKBHFJLOG-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001237628802 1131120796 /nfs/dbraw/zinc/12/07/96/1131120796.db2.gz GJTITPPNXCHIAZ-UHFFFAOYSA-N 1 2 290.382 3.883 20 30 CHEDLO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001237628802 1131120798 /nfs/dbraw/zinc/12/07/98/1131120798.db2.gz GJTITPPNXCHIAZ-UHFFFAOYSA-N 1 2 290.382 3.883 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)ccc1OC(C)C ZINC001237729143 1131133358 /nfs/dbraw/zinc/13/33/58/1131133358.db2.gz YFSZHRYCOIIXLF-MRXNPFEDSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)ccc1OC(C)C ZINC001237729143 1131133363 /nfs/dbraw/zinc/13/33/63/1131133363.db2.gz YFSZHRYCOIIXLF-MRXNPFEDSA-N 1 2 272.392 3.518 20 30 CHEDLO C=CC[N@@H+](C)Cc1csc(-c2cccc(F)c2)n1 ZINC001237973872 1131156960 /nfs/dbraw/zinc/15/69/60/1131156960.db2.gz ZFWJLGWTERGQET-UHFFFAOYSA-N 1 2 262.353 3.567 20 30 CHEDLO C=CC[N@H+](C)Cc1csc(-c2cccc(F)c2)n1 ZINC001237973872 1131156962 /nfs/dbraw/zinc/15/69/62/1131156962.db2.gz ZFWJLGWTERGQET-UHFFFAOYSA-N 1 2 262.353 3.567 20 30 CHEDLO Cc1ncccc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001238084986 1131169298 /nfs/dbraw/zinc/16/92/98/1131169298.db2.gz SHJAZFRPQNUYIK-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO Cc1ncccc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001238084986 1131169299 /nfs/dbraw/zinc/16/92/99/1131169299.db2.gz SHJAZFRPQNUYIK-UHFFFAOYSA-N 1 2 285.778 3.547 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cccc(-c2cccs2)n1 ZINC001238220873 1131183041 /nfs/dbraw/zinc/18/30/41/1131183041.db2.gz RXMBONOFHAHBAJ-UHFFFAOYSA-N 1 2 285.416 3.936 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cccc(-c2cccs2)n1 ZINC001238220873 1131183044 /nfs/dbraw/zinc/18/30/44/1131183044.db2.gz RXMBONOFHAHBAJ-UHFFFAOYSA-N 1 2 285.416 3.936 20 30 CHEDLO Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001138034693 1131199413 /nfs/dbraw/zinc/19/94/13/1131199413.db2.gz PVBRNQIQMRRBOG-LBPRGKRZSA-N 1 2 280.774 3.913 20 30 CHEDLO Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001138034693 1131199417 /nfs/dbraw/zinc/19/94/17/1131199417.db2.gz PVBRNQIQMRRBOG-LBPRGKRZSA-N 1 2 280.774 3.913 20 30 CHEDLO CC(C)Oc1ccc(NCc2c[nH+]cn2C(C)C)cc1C#N ZINC000818216195 1131205060 /nfs/dbraw/zinc/20/50/60/1131205060.db2.gz SRRHQTFJXQRRHE-UHFFFAOYSA-N 1 2 298.390 3.735 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(F)c(F)cc1OCC ZINC001238651952 1131226651 /nfs/dbraw/zinc/22/66/51/1131226651.db2.gz BWHIDXDAOHZQOK-UHFFFAOYSA-N 1 2 267.319 3.538 20 30 CHEDLO C=CC[N@H+](Cc1c(F)ccc(F)c1F)C(C)(C)C ZINC001137933678 1131438354 /nfs/dbraw/zinc/43/83/54/1131438354.db2.gz PRDQEZSLMVEGCC-UHFFFAOYSA-N 1 2 257.299 3.890 20 30 CHEDLO C=CC[N@@H+](Cc1c(F)ccc(F)c1F)C(C)(C)C ZINC001137933678 1131438359 /nfs/dbraw/zinc/43/83/59/1131438359.db2.gz PRDQEZSLMVEGCC-UHFFFAOYSA-N 1 2 257.299 3.890 20 30 CHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(C(F)F)CC1 ZINC001143726379 1131527594 /nfs/dbraw/zinc/52/75/94/1131527594.db2.gz OETFYVBNPQXQTM-UHFFFAOYSA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001143726709 1131527997 /nfs/dbraw/zinc/52/79/97/1131527997.db2.gz ZLVHRHXZBUSESK-NSHDSACASA-N 1 2 284.737 3.689 20 30 CHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001143726709 1131528000 /nfs/dbraw/zinc/52/80/00/1131528000.db2.gz ZLVHRHXZBUSESK-NSHDSACASA-N 1 2 284.737 3.689 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC001139175207 1131591061 /nfs/dbraw/zinc/59/10/61/1131591061.db2.gz UZSAVGLIDNZSAN-UHFFFAOYSA-N 1 2 299.187 3.714 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC001139175207 1131591064 /nfs/dbraw/zinc/59/10/64/1131591064.db2.gz UZSAVGLIDNZSAN-UHFFFAOYSA-N 1 2 299.187 3.714 20 30 CHEDLO N#CCC1CC[NH+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001139355670 1131604365 /nfs/dbraw/zinc/60/43/65/1131604365.db2.gz XFYMCUCWJXHBOD-UHFFFAOYSA-N 1 2 284.190 3.514 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1cc(C)ccc1OCC ZINC001139603674 1131620582 /nfs/dbraw/zinc/62/05/82/1131620582.db2.gz FJQNNOCKIPENDU-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1cc(C)ccc1OCC ZINC001139603674 1131620584 /nfs/dbraw/zinc/62/05/84/1131620584.db2.gz FJQNNOCKIPENDU-UHFFFAOYSA-N 1 2 260.381 3.519 20 30 CHEDLO C[N@H+](Cc1cccc(O)c1)Cc1cccc(Cl)c1C#N ZINC001139687228 1131629127 /nfs/dbraw/zinc/62/91/27/1131629127.db2.gz NBKUEKLLWGVKLI-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cccc(Cl)c1C#N ZINC001139687228 1131629130 /nfs/dbraw/zinc/62/91/30/1131629130.db2.gz NBKUEKLLWGVKLI-UHFFFAOYSA-N 1 2 286.762 3.549 20 30 CHEDLO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001139823466 1131639378 /nfs/dbraw/zinc/63/93/78/1131639378.db2.gz NWAOSKBEZXRCOT-AWEZNQCLSA-N 1 2 297.427 3.854 20 30 CHEDLO Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001139823466 1131639380 /nfs/dbraw/zinc/63/93/80/1131639380.db2.gz NWAOSKBEZXRCOT-AWEZNQCLSA-N 1 2 297.427 3.854 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1F ZINC001140051919 1131659255 /nfs/dbraw/zinc/65/92/55/1131659255.db2.gz YEKBGPXPZKBDBS-UHFFFAOYSA-N 1 2 271.335 3.720 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1F ZINC001140051919 1131659258 /nfs/dbraw/zinc/65/92/58/1131659258.db2.gz YEKBGPXPZKBDBS-UHFFFAOYSA-N 1 2 271.335 3.720 20 30 CHEDLO C#Cc1ccc(C[N@@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001144578967 1131660518 /nfs/dbraw/zinc/66/05/18/1131660518.db2.gz UOQYMVYAJMOPRR-UHFFFAOYSA-N 1 2 287.362 3.972 20 30 CHEDLO C#Cc1ccc(C[N@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001144578967 1131660521 /nfs/dbraw/zinc/66/05/21/1131660521.db2.gz UOQYMVYAJMOPRR-UHFFFAOYSA-N 1 2 287.362 3.972 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140437731 1131736780 /nfs/dbraw/zinc/73/67/80/1131736780.db2.gz IZMYBNBBWLCCRF-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140437731 1131736784 /nfs/dbraw/zinc/73/67/84/1131736784.db2.gz IZMYBNBBWLCCRF-HNNXBMFYSA-N 1 2 273.767 3.557 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140454031 1131744564 /nfs/dbraw/zinc/74/45/64/1131744564.db2.gz SBDJHUNUAPUANO-ZDUSSCGKSA-N 1 2 283.400 3.546 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140454031 1131744568 /nfs/dbraw/zinc/74/45/68/1131744568.db2.gz SBDJHUNUAPUANO-ZDUSSCGKSA-N 1 2 283.400 3.546 20 30 CHEDLO CC(=[NH+]Nc1ccc(C(C)C)cc1)c1csc(N)n1 ZINC000835018139 1131758109 /nfs/dbraw/zinc/75/81/09/1131758109.db2.gz GRCZCKMBIKZEEW-UHFFFAOYSA-N 1 2 274.393 3.685 20 30 CHEDLO CC1(C)C[NH+](Cc2cccc(C#N)c2Cl)CC(C)(C)O1 ZINC001140812840 1131932474 /nfs/dbraw/zinc/93/24/74/1131932474.db2.gz NGPOBMZKGPWEAW-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NC(C)(C)c1ccncc1 ZINC001171513553 1132046948 /nfs/dbraw/zinc/04/69/48/1132046948.db2.gz NEDNPQIBINEUKU-UHFFFAOYSA-N 1 2 267.376 3.861 20 30 CHEDLO CCC(C#N)(CC)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171665993 1132072514 /nfs/dbraw/zinc/07/25/14/1132072514.db2.gz RINHUHUTHHKHOM-OAHLLOKOSA-N 1 2 258.409 3.988 20 30 CHEDLO C=C(C)C[N@@H+](C)Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000838993329 1132163660 /nfs/dbraw/zinc/16/36/60/1132163660.db2.gz KDBZEBOFCKBXAC-UHFFFAOYSA-N 1 2 299.773 3.532 20 30 CHEDLO C=C(C)C[N@H+](C)Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000838993329 1132163666 /nfs/dbraw/zinc/16/36/66/1132163666.db2.gz KDBZEBOFCKBXAC-UHFFFAOYSA-N 1 2 299.773 3.532 20 30 CHEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001172346017 1132180144 /nfs/dbraw/zinc/18/01/44/1132180144.db2.gz FIHBGRKJVAWXPX-KBPBESRZSA-N 1 2 289.485 3.577 20 30 CHEDLO N#C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1F ZINC001231085171 1132254896 /nfs/dbraw/zinc/25/48/96/1132254896.db2.gz RBBYEMXCIPUEAG-MRXNPFEDSA-N 1 2 293.301 3.859 20 30 CHEDLO N#C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565183 1132269569 /nfs/dbraw/zinc/26/95/69/1132269569.db2.gz SOOODXFUPUDQCP-ZACQAIPSSA-N 1 2 254.377 3.701 20 30 CHEDLO N#C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172565183 1132269574 /nfs/dbraw/zinc/26/95/74/1132269574.db2.gz SOOODXFUPUDQCP-ZACQAIPSSA-N 1 2 254.377 3.701 20 30 CHEDLO N#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC001212695575 1132375223 /nfs/dbraw/zinc/37/52/23/1132375223.db2.gz MITBRZYMYOEESA-UHFFFAOYSA-N 1 2 280.356 3.608 20 30 CHEDLO Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212696950 1132377973 /nfs/dbraw/zinc/37/79/73/1132377973.db2.gz WSICXERAWUKNMX-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195960 1132408618 /nfs/dbraw/zinc/40/86/18/1132408618.db2.gz AKQVAEOZMURYRU-VJFUWPCTSA-N 1 2 286.419 3.904 20 30 CHEDLO N#C[C@@H]1CCCC[N@@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173203245 1132408901 /nfs/dbraw/zinc/40/89/01/1132408901.db2.gz MATAQONLIUQJME-PQUAAJSLSA-N 1 2 284.403 3.755 20 30 CHEDLO N#C[C@@H]1CCCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173203245 1132408907 /nfs/dbraw/zinc/40/89/07/1132408907.db2.gz MATAQONLIUQJME-PQUAAJSLSA-N 1 2 284.403 3.755 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232482288 1132478561 /nfs/dbraw/zinc/47/85/61/1132478561.db2.gz UPGDZRDLRIUHGD-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232482288 1132478565 /nfs/dbraw/zinc/47/85/65/1132478565.db2.gz UPGDZRDLRIUHGD-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO CC(C)(C#N)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687017 1132509602 /nfs/dbraw/zinc/50/96/02/1132509602.db2.gz IPBXFVJPXUOBLM-UHFFFAOYSA-N 1 2 268.404 3.705 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(Cl)c(F)c1F ZINC001233211594 1132580119 /nfs/dbraw/zinc/58/01/19/1132580119.db2.gz ZCFZUCHRBYVLQQ-UHFFFAOYSA-N 1 2 257.711 3.792 20 30 CHEDLO Cc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1C ZINC001155850728 1132666741 /nfs/dbraw/zinc/66/67/41/1132666741.db2.gz SWLALILTLVUQLB-UHFFFAOYSA-N 1 2 293.292 3.754 20 30 CHEDLO C[N@H+](CC(F)(F)C(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808792251 1132791812 /nfs/dbraw/zinc/79/18/12/1132791812.db2.gz GLXOMSIKNPHVEW-OCAPTIKFSA-N 1 2 295.242 3.940 20 30 CHEDLO C[N@@H+](CC(F)(F)C(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808792251 1132791818 /nfs/dbraw/zinc/79/18/18/1132791818.db2.gz GLXOMSIKNPHVEW-OCAPTIKFSA-N 1 2 295.242 3.940 20 30 CHEDLO C#C[C@](C)(CC)Nc1cc(C)c2cc(OC)ccc2[nH+]1 ZINC001158737492 1132790445 /nfs/dbraw/zinc/79/04/45/1132790445.db2.gz HQIZWXPGKXTEJV-QGZVFWFLSA-N 1 2 268.360 3.766 20 30 CHEDLO CN(c1[nH+]ccc2[nH]cc(C#N)c21)[C@H]1CCc2ccccc21 ZINC001158920483 1132798586 /nfs/dbraw/zinc/79/85/86/1132798586.db2.gz PFMCBHSBOWTFOF-INIZCTEOSA-N 1 2 288.354 3.558 20 30 CHEDLO Fc1ccc(COc2ccc[nH+]c2NCCCS)cc1 ZINC001159871659 1132918299 /nfs/dbraw/zinc/91/82/99/1132918299.db2.gz ODEQNPFWTGJBGC-UHFFFAOYSA-N 1 2 292.379 3.532 20 30 CHEDLO N#Cc1c(Nc2cccc3[nH+]c[nH]c32)sc2c1CCC2 ZINC001213026943 1132984262 /nfs/dbraw/zinc/98/42/62/1132984262.db2.gz AJOOXZXYCMVBBV-UHFFFAOYSA-N 1 2 280.356 3.728 20 30 CHEDLO C[C@H](C#N)c1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213031441 1132995628 /nfs/dbraw/zinc/99/56/28/1132995628.db2.gz ABBAAAWBNYQZBK-LLVKDONJSA-N 1 2 262.316 3.934 20 30 CHEDLO N#Cc1cc(F)c(Nc2cccc3[nH+]c[nH]c32)c(Cl)c1 ZINC001213033648 1133007311 /nfs/dbraw/zinc/00/73/11/1133007311.db2.gz QOXMRUXDJOWSCB-UHFFFAOYSA-N 1 2 286.697 3.971 20 30 CHEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c2cccnc12 ZINC001213034477 1133014350 /nfs/dbraw/zinc/01/43/50/1133014350.db2.gz MAFUHAQZKDAUQY-UHFFFAOYSA-N 1 2 285.310 3.726 20 30 CHEDLO C=C(C)CCc1ccccc1NCCCn1cc[nH+]c1 ZINC001161684762 1133016070 /nfs/dbraw/zinc/01/60/70/1133016070.db2.gz ODJDAHSLPQOAHO-UHFFFAOYSA-N 1 2 269.392 3.894 20 30 CHEDLO C#CCCCNc1ccc(C2(C(F)(F)F)CC2)c[nH+]1 ZINC001162445789 1133078103 /nfs/dbraw/zinc/07/81/03/1133078103.db2.gz NWOHEYBIMNGQBM-UHFFFAOYSA-N 1 2 268.282 3.501 20 30 CHEDLO C#CC1(Nc2cc(CSC)cc[nH+]2)CCCCC1 ZINC001162479394 1133080702 /nfs/dbraw/zinc/08/07/02/1133080702.db2.gz CCJGMWVJOWPAFW-UHFFFAOYSA-N 1 2 260.406 3.693 20 30 CHEDLO C#CC1(Nc2cc(C(C)C)[nH+]c(C)n2)CCCCC1 ZINC001162478435 1133080936 /nfs/dbraw/zinc/08/09/36/1133080936.db2.gz DVYJMZAHHBIHEE-UHFFFAOYSA-N 1 2 257.381 3.656 20 30 CHEDLO N#CCc1cc[nH+]c(NC[C@H]2CCCc3ccccc32)c1 ZINC001162555945 1133091763 /nfs/dbraw/zinc/09/17/63/1133091763.db2.gz WNPMDEGKGZBDFU-MRXNPFEDSA-N 1 2 277.371 3.680 20 30 CHEDLO N#CCc1cc[nH+]c(N[C@@H]2CCc3c2c(F)ccc3F)c1 ZINC001162933351 1133122948 /nfs/dbraw/zinc/12/29/48/1133122948.db2.gz YLUMPZKPKNDAEV-CQSZACIVSA-N 1 2 285.297 3.525 20 30 CHEDLO N#Cc1ccc(C=CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001203301910 1133312576 /nfs/dbraw/zinc/31/25/76/1133312576.db2.gz KKJWQEJQZGRZNQ-MDZDMXLPSA-N 1 2 286.338 3.827 20 30 CHEDLO N#Cc1ccc(C=CNc2ccccc2-n2cc[nH+]c2)cc1 ZINC001203301527 1133312693 /nfs/dbraw/zinc/31/26/93/1133312693.db2.gz BCPMGLSRUWOSLC-MDZDMXLPSA-N 1 2 286.338 3.827 20 30 CHEDLO N#Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)ccc1O ZINC001203725011 1133359675 /nfs/dbraw/zinc/35/96/75/1133359675.db2.gz ZDOIWGHLKOUXQL-UHFFFAOYSA-N 1 2 293.370 3.998 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001203944888 1133388878 /nfs/dbraw/zinc/38/88/78/1133388878.db2.gz VWVAUNFXNIXHLB-INIZCTEOSA-N 1 2 278.355 3.824 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001203944888 1133388884 /nfs/dbraw/zinc/38/88/84/1133388884.db2.gz VWVAUNFXNIXHLB-INIZCTEOSA-N 1 2 278.355 3.824 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccccc1OC(F)(F)F ZINC001204424696 1133445638 /nfs/dbraw/zinc/44/56/38/1133445638.db2.gz FTCLMLSVOSBWLE-UHFFFAOYSA-N 1 2 286.297 3.711 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccccc1OC(F)(F)F ZINC001204424696 1133445632 /nfs/dbraw/zinc/44/56/32/1133445632.db2.gz FTCLMLSVOSBWLE-UHFFFAOYSA-N 1 2 286.297 3.711 20 30 CHEDLO C#Cc1cc(Nc2ccc(-c3ccc(O)cc3)cc2)cc[nH+]1 ZINC001205129110 1133534231 /nfs/dbraw/zinc/53/42/31/1133534231.db2.gz NUOAATIKGBLIIJ-UHFFFAOYSA-N 1 2 286.334 3.601 20 30 CHEDLO C=CCC[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C(=O)OCC ZINC001205842368 1133621107 /nfs/dbraw/zinc/62/11/07/1133621107.db2.gz YQOSAXCLZQHEJG-DZGCQCFKSA-N 1 2 295.448 3.557 20 30 CHEDLO CCCCCCC/C=C/C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001208119800 1133880168 /nfs/dbraw/zinc/88/01/68/1133880168.db2.gz HGPQJZRZCBKJIY-HVHJFMEUSA-N 1 2 269.404 3.906 20 30 CHEDLO CCCCCCC/C=C/C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001208119800 1133880174 /nfs/dbraw/zinc/88/01/74/1133880174.db2.gz HGPQJZRZCBKJIY-HVHJFMEUSA-N 1 2 269.404 3.906 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001208178992 1133899171 /nfs/dbraw/zinc/89/91/71/1133899171.db2.gz ZBPPJBNOPQFSRD-IEBWSBKVSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001208178992 1133899177 /nfs/dbraw/zinc/89/91/77/1133899177.db2.gz ZBPPJBNOPQFSRD-IEBWSBKVSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC001208178608 1133899799 /nfs/dbraw/zinc/89/97/99/1133899799.db2.gz SXDADEKWJAIAMR-IEBWSBKVSA-N 1 2 298.430 3.758 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC001208178608 1133899803 /nfs/dbraw/zinc/89/98/03/1133899803.db2.gz SXDADEKWJAIAMR-IEBWSBKVSA-N 1 2 298.430 3.758 20 30 CHEDLO CCCC[N@@H+](CC#N)CCCCOCc1ccccc1 ZINC001209265253 1133997778 /nfs/dbraw/zinc/99/77/78/1133997778.db2.gz NLRUAEILXNTVRM-UHFFFAOYSA-N 1 2 274.408 3.609 20 30 CHEDLO CCCC[N@H+](CC#N)CCCCOCc1ccccc1 ZINC001209265253 1133997783 /nfs/dbraw/zinc/99/77/83/1133997783.db2.gz NLRUAEILXNTVRM-UHFFFAOYSA-N 1 2 274.408 3.609 20 30 CHEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209655281 1134047478 /nfs/dbraw/zinc/04/74/78/1134047478.db2.gz SMNIAQCNAVROOY-LLVKDONJSA-N 1 2 273.767 3.557 20 30 CHEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209655281 1134047484 /nfs/dbraw/zinc/04/74/84/1134047484.db2.gz SMNIAQCNAVROOY-LLVKDONJSA-N 1 2 273.767 3.557 20 30 CHEDLO CCc1ccc(C)[nH+]c1NC1=CC(=O)CC(C)(C)C1 ZINC001210149672 1134156934 /nfs/dbraw/zinc/15/69/34/1134156934.db2.gz DFRIIYRUQVRNDC-UHFFFAOYSA-N 1 2 258.365 3.637 20 30 CHEDLO N#Cc1ccc(F)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001210230454 1134172255 /nfs/dbraw/zinc/17/22/55/1134172255.db2.gz HPBXXTMHCZIRCR-UHFFFAOYSA-N 1 2 263.275 3.989 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001210387557 1134205619 /nfs/dbraw/zinc/20/56/19/1134205619.db2.gz HSUZVAPVYRMPAY-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO N#Cc1cc(F)ccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001210552188 1134246390 /nfs/dbraw/zinc/24/63/90/1134246390.db2.gz WPWJMWAPPKAEGN-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO Cc1cc(Nc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC001210807323 1134299958 /nfs/dbraw/zinc/29/99/58/1134299958.db2.gz ALHANRDHXNTHST-UHFFFAOYSA-N 1 2 274.327 3.796 20 30 CHEDLO N#Cc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213088113 1134424689 /nfs/dbraw/zinc/42/46/89/1134424689.db2.gz PUQWAZZSZDMRES-UHFFFAOYSA-N 1 2 260.300 3.692 20 30 CHEDLO C#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213090727 1134425611 /nfs/dbraw/zinc/42/56/11/1134425611.db2.gz CWYJRZYIVAGEFN-UHFFFAOYSA-N 1 2 259.312 3.802 20 30 CHEDLO Cc1cc(C)c(Nc2ccc(F)c(CC#N)c2)c[nH+]1 ZINC001213521013 1134459185 /nfs/dbraw/zinc/45/91/85/1134459185.db2.gz OOFLGWWFTVPQIN-UHFFFAOYSA-N 1 2 255.296 3.647 20 30 CHEDLO CCOc1cc(Nc2cc(C#N)ccc2F)cc(C)[nH+]1 ZINC001214593791 1134554965 /nfs/dbraw/zinc/55/49/65/1134554965.db2.gz LYZGKHCTLTZNEI-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO Cc1cccc(C)c1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405151559 1134960378 /nfs/dbraw/zinc/96/03/78/1134960378.db2.gz SAKWPOGJVSELGQ-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1cccc(C)c1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405151559 1134960383 /nfs/dbraw/zinc/96/03/83/1134960383.db2.gz SAKWPOGJVSELGQ-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1ccc(C)c(C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000405144117 1134960598 /nfs/dbraw/zinc/96/05/98/1134960598.db2.gz KNDSPSHSPKKKQY-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO Cc1ccc(C)c(C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000405144117 1134960600 /nfs/dbraw/zinc/96/06/00/1134960600.db2.gz KNDSPSHSPKKKQY-UHFFFAOYSA-N 1 2 262.356 3.691 20 30 CHEDLO C=CCCCCCC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222139196 1135198256 /nfs/dbraw/zinc/19/82/56/1135198256.db2.gz QHOGHMGWQPZJKA-OAHLLOKOSA-N 1 2 250.386 3.815 20 30 CHEDLO C=C[C@H](CCCCCCC)OCCn1cc[nH+]c1 ZINC001222139501 1135198443 /nfs/dbraw/zinc/19/84/43/1135198443.db2.gz URDGWGSSQRSFRN-OAHLLOKOSA-N 1 2 250.386 3.815 20 30 CHEDLO C=C[C@@H](OC1C[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC001223308947 1135325667 /nfs/dbraw/zinc/32/56/67/1135325667.db2.gz MYSZCWBOHGGTNY-LJQANCHMSA-N 1 2 279.383 3.815 20 30 CHEDLO N#CC1CC[NH+](Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000350871077 227150950 /nfs/dbraw/zinc/15/09/50/227150950.db2.gz PGCLTDGBLAHJFD-UHFFFAOYSA-N 1 2 299.399 3.561 20 30 CHEDLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329181431 227343026 /nfs/dbraw/zinc/34/30/26/227343026.db2.gz OEGPTRIKISNCDE-BFHYXJOUSA-N 1 2 275.396 3.515 20 30 CHEDLO C[C@H](C#N)C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000356115583 228126847 /nfs/dbraw/zinc/12/68/47/228126847.db2.gz SSQCGVQBVPQXRI-SNVBAGLBSA-N 1 2 298.308 3.535 20 30 CHEDLO C[C@H](C#N)C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000356115583 228126848 /nfs/dbraw/zinc/12/68/48/228126848.db2.gz SSQCGVQBVPQXRI-SNVBAGLBSA-N 1 2 298.308 3.535 20 30 CHEDLO Cc1cc[nH+]cc1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356129208 228133117 /nfs/dbraw/zinc/13/31/17/228133117.db2.gz AQKUVSVFGXYVNY-UHFFFAOYSA-N 1 2 291.276 3.893 20 30 CHEDLO N#CC1(C[N@H+](Cc2ccccc2Cl)CC2CC2)CC1 ZINC000352240326 228205040 /nfs/dbraw/zinc/20/50/40/228205040.db2.gz GHMVGEMSCDVVGJ-UHFFFAOYSA-N 1 2 274.795 3.856 20 30 CHEDLO N#CC1(C[N@@H+](Cc2ccccc2Cl)CC2CC2)CC1 ZINC000352240326 228205041 /nfs/dbraw/zinc/20/50/41/228205041.db2.gz GHMVGEMSCDVVGJ-UHFFFAOYSA-N 1 2 274.795 3.856 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)c1cnccn1 ZINC000297841701 260136080 /nfs/dbraw/zinc/13/60/80/260136080.db2.gz KOUNTIOBBRUVEA-LLVKDONJSA-N 1 2 293.823 3.941 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)c1cnccn1 ZINC000297841701 260136082 /nfs/dbraw/zinc/13/60/82/260136082.db2.gz KOUNTIOBBRUVEA-LLVKDONJSA-N 1 2 293.823 3.941 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312598505 260171915 /nfs/dbraw/zinc/17/19/15/260171915.db2.gz JCRXLSDHIDGTLK-MRVPVSSYSA-N 1 2 263.193 3.837 20 30 CHEDLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(C#N)cc1 ZINC000079044651 260174265 /nfs/dbraw/zinc/17/42/65/260174265.db2.gz PUFVPYGMUDXNOM-GFCCVEGCSA-N 1 2 276.343 3.618 20 30 CHEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000087759965 260415710 /nfs/dbraw/zinc/41/57/10/260415710.db2.gz ZKHYOJHPYJUWNQ-UHFFFAOYSA-N 1 2 269.175 3.729 20 30 CHEDLO CCCCCCC[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000133743888 260909221 /nfs/dbraw/zinc/90/92/21/260909221.db2.gz BVSPOOXEFFLERJ-HXUWFJFHSA-N 1 2 292.448 3.862 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000361280736 261190935 /nfs/dbraw/zinc/19/09/35/261190935.db2.gz DPRURUUWKJNGNT-GFCCVEGCSA-N 1 2 292.810 3.863 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000361280736 261190936 /nfs/dbraw/zinc/19/09/36/261190936.db2.gz DPRURUUWKJNGNT-GFCCVEGCSA-N 1 2 292.810 3.863 20 30 CHEDLO COCCOc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185729664 262068833 /nfs/dbraw/zinc/06/88/33/262068833.db2.gz WZBQAHUZKKOSOS-LSDHHAIUSA-N 1 2 288.391 3.515 20 30 CHEDLO Cc1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)no1 ZINC000290766256 263118571 /nfs/dbraw/zinc/11/85/71/263118571.db2.gz RXJIDJKLGFINQJ-DZGCQCFKSA-N 1 2 269.348 3.679 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000292115529 263128681 /nfs/dbraw/zinc/12/86/81/263128681.db2.gz HOXPHWKWZJFECR-UHFFFAOYSA-N 1 2 268.282 3.607 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000292115529 263128682 /nfs/dbraw/zinc/12/86/82/263128682.db2.gz HOXPHWKWZJFECR-UHFFFAOYSA-N 1 2 268.282 3.607 20 30 CHEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000297083117 263201005 /nfs/dbraw/zinc/20/10/05/263201005.db2.gz WWWISGPKVWGHMJ-CQSZACIVSA-N 1 2 298.390 3.759 20 30 CHEDLO C[C@@H](CCC#N)[N@H+](C)Cc1c(F)cccc1Cl ZINC000297739381 263208852 /nfs/dbraw/zinc/20/88/52/263208852.db2.gz CZTXDMGPVXSTPV-JTQLQIEISA-N 1 2 254.736 3.603 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000297739381 263208853 /nfs/dbraw/zinc/20/88/53/263208853.db2.gz CZTXDMGPVXSTPV-JTQLQIEISA-N 1 2 254.736 3.603 20 30 CHEDLO C[C@H]1CCC[C@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356987369 266225985 /nfs/dbraw/zinc/22/59/85/266225985.db2.gz PYQIOISVSGBWEU-GJZGRUSLSA-N 1 2 260.381 3.822 20 30 CHEDLO C[C@H]1CCC[C@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356987369 266225988 /nfs/dbraw/zinc/22/59/88/266225988.db2.gz PYQIOISVSGBWEU-GJZGRUSLSA-N 1 2 260.381 3.822 20 30 CHEDLO C(#Cc1ccccc1)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000370681488 267338673 /nfs/dbraw/zinc/33/86/73/267338673.db2.gz BFBBJWCSMPYKLW-OAQYLSRUSA-N 1 2 298.389 3.812 20 30 CHEDLO N#CC1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC1 ZINC000418143431 267365269 /nfs/dbraw/zinc/36/52/69/267365269.db2.gz PKZYTKAZAAXQOI-UHFFFAOYSA-N 1 2 289.429 3.655 20 30 CHEDLO C=CC[C@H](CC)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000377223906 268057264 /nfs/dbraw/zinc/05/72/64/268057264.db2.gz RURPULNJJNMHKE-AWEZNQCLSA-N 1 2 298.390 3.563 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1Cl ZINC000160821785 328088537 /nfs/dbraw/zinc/08/85/37/328088537.db2.gz PQUYHCZQPQZCHW-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1Cl ZINC000160821785 328088539 /nfs/dbraw/zinc/08/85/39/328088539.db2.gz PQUYHCZQPQZCHW-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCCCCC1 ZINC000260839105 326880548 /nfs/dbraw/zinc/88/05/48/326880548.db2.gz RSMTYJMZIXHFGF-UHFFFAOYSA-N 1 2 293.208 3.697 20 30 CHEDLO CC(F)(F)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000559886173 327267934 /nfs/dbraw/zinc/26/79/34/327267934.db2.gz MGNGAHQGEBZICN-CQSZACIVSA-N 1 2 264.319 3.571 20 30 CHEDLO C[C@@H](CC[N@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000193986582 329064686 /nfs/dbraw/zinc/06/46/86/329064686.db2.gz MJWWGKDEPFSZHM-HNNXBMFYSA-N 1 2 256.393 3.948 20 30 CHEDLO C[C@@H](CC[N@@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000193986582 329064687 /nfs/dbraw/zinc/06/46/87/329064687.db2.gz MJWWGKDEPFSZHM-HNNXBMFYSA-N 1 2 256.393 3.948 20 30 CHEDLO C=C(C)CSCc1[nH+]ccn1Cc1ccccc1 ZINC000174252927 329155282 /nfs/dbraw/zinc/15/52/82/329155282.db2.gz FULKWFISAOFMKJ-UHFFFAOYSA-N 1 2 258.390 3.741 20 30 CHEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCCC(C)(C)C#N)o1 ZINC000174868457 329164312 /nfs/dbraw/zinc/16/43/12/329164312.db2.gz AQMXNSQPCKPBQM-OAHLLOKOSA-N 1 2 290.407 3.545 20 30 CHEDLO CCc1ccc([C@H]2COCC[N@H+]2CCCC(C)(C)C#N)o1 ZINC000174868457 329164313 /nfs/dbraw/zinc/16/43/13/329164313.db2.gz AQMXNSQPCKPBQM-OAHLLOKOSA-N 1 2 290.407 3.545 20 30 CHEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186803963 329349295 /nfs/dbraw/zinc/34/92/95/329349295.db2.gz OEHBVRNTHSTFOX-NSHDSACASA-N 1 2 274.751 3.998 20 30 CHEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186803963 329349297 /nfs/dbraw/zinc/34/92/97/329349297.db2.gz OEHBVRNTHSTFOX-NSHDSACASA-N 1 2 274.751 3.998 20 30 CHEDLO Cc1nc(N[C@@H](CCCC#N)c2ccccc2)cc[nH+]1 ZINC000431497349 329710035 /nfs/dbraw/zinc/71/00/35/329710035.db2.gz VQPQOKPDTIOQCM-HNNXBMFYSA-N 1 2 266.348 3.632 20 30 CHEDLO C#CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000270225094 330074161 /nfs/dbraw/zinc/07/41/61/330074161.db2.gz NVPOJSOUFMYCQS-OAHLLOKOSA-N 1 2 263.344 3.531 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1csc(CCC)n1)c1ccccc1 ZINC000271649851 330081700 /nfs/dbraw/zinc/08/17/00/330081700.db2.gz BBHNTBASMHMFRE-INIZCTEOSA-N 1 2 284.428 3.950 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nc(C(C)C)no1)Cc1ccccc1 ZINC000279195328 330121936 /nfs/dbraw/zinc/12/19/36/330121936.db2.gz AAQLLDLUCBGDRZ-UHFFFAOYSA-N 1 2 285.391 3.771 20 30 CHEDLO C=C(C)C[N@H+](Cc1nc(C(C)C)no1)Cc1ccccc1 ZINC000279195328 330121937 /nfs/dbraw/zinc/12/19/37/330121937.db2.gz AAQLLDLUCBGDRZ-UHFFFAOYSA-N 1 2 285.391 3.771 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccc1Br)CC1CC1 ZINC000081044426 330160933 /nfs/dbraw/zinc/16/09/33/330160933.db2.gz LCOZUQPUCDRNDM-UHFFFAOYSA-N 1 2 293.208 3.575 20 30 CHEDLO N#CCC[N@H+](Cc1ccccc1Br)CC1CC1 ZINC000081044426 330160934 /nfs/dbraw/zinc/16/09/34/330160934.db2.gz LCOZUQPUCDRNDM-UHFFFAOYSA-N 1 2 293.208 3.575 20 30 CHEDLO N#Cc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)CC[NH2+]3)CC2 ZINC000423219819 330179537 /nfs/dbraw/zinc/17/95/37/330179537.db2.gz UOURTPXCVXKFJS-SFHVURJKSA-N 1 2 275.355 3.626 20 30 CHEDLO C[C@H]([NH2+][C@@H]1C[C@]1(F)c1ccccc1)c1ccc(C#N)cc1F ZINC000424325034 330341145 /nfs/dbraw/zinc/34/11/45/330341145.db2.gz NFSOJHGUKTVGOD-RZAIGCCYSA-N 1 2 298.336 3.985 20 30 CHEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000428331533 330520360 /nfs/dbraw/zinc/52/03/60/330520360.db2.gz PWCHQASPJDJYRD-UHFFFAOYSA-N 1 2 284.309 3.615 20 30 CHEDLO N#CCC1(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000430750178 330572956 /nfs/dbraw/zinc/57/29/56/330572956.db2.gz MRMZLIWDMTWQRA-AWEZNQCLSA-N 1 2 278.346 3.536 20 30 CHEDLO Cc1[nH+]c(C(C)C)ccc1CNc1ccc(C#N)cc1 ZINC000453056098 331085142 /nfs/dbraw/zinc/08/51/42/331085142.db2.gz FQINBVUHOHIRFZ-UHFFFAOYSA-N 1 2 265.360 3.997 20 30 CHEDLO C=CCC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccco1 ZINC000453332546 331117779 /nfs/dbraw/zinc/11/77/79/331117779.db2.gz AXQHVAUELXKXHI-IHRRRGAJSA-N 1 2 271.364 3.779 20 30 CHEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)c1ccccc1 ZINC000472615687 331540284 /nfs/dbraw/zinc/54/02/84/331540284.db2.gz WXLNPDCQHUKTHG-UHFFFAOYSA-N 1 2 268.360 3.591 20 30 CHEDLO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(F)(C#N)CC1 ZINC000510886129 332919615 /nfs/dbraw/zinc/91/96/15/332919615.db2.gz BUKIXAISYHXEER-JTQLQIEISA-N 1 2 284.737 3.868 20 30 CHEDLO C=CCC[C@H](C(=O)Nc1cc[nH+]cc1CC)c1ccccc1 ZINC000488815072 332026798 /nfs/dbraw/zinc/02/67/98/332026798.db2.gz AVOUMBNQCBRODG-KRWDZBQOSA-N 1 2 294.398 3.754 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489233638 332044109 /nfs/dbraw/zinc/04/41/09/332044109.db2.gz HLRHBYBKKIATBL-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489233638 332044110 /nfs/dbraw/zinc/04/41/10/332044110.db2.gz HLRHBYBKKIATBL-CYBMUJFWSA-N 1 2 296.345 3.653 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc([C@H](C)OCC)n1 ZINC000489442072 332052716 /nfs/dbraw/zinc/05/27/16/332052716.db2.gz ACEQQEUQFAADFC-GXTWGEPZSA-N 1 2 280.437 3.781 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc([C@H](C)OCC)n1 ZINC000489442072 332052717 /nfs/dbraw/zinc/05/27/17/332052717.db2.gz ACEQQEUQFAADFC-GXTWGEPZSA-N 1 2 280.437 3.781 20 30 CHEDLO C#CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C1CCCCC1 ZINC000490778726 332114660 /nfs/dbraw/zinc/11/46/60/332114660.db2.gz JWSWCUMPVAKFFO-CYBMUJFWSA-N 1 2 292.448 3.618 20 30 CHEDLO C#CC[N@H+](Cc1csc([C@@H](C)OC)n1)C1CCCCC1 ZINC000490778726 332114662 /nfs/dbraw/zinc/11/46/62/332114662.db2.gz JWSWCUMPVAKFFO-CYBMUJFWSA-N 1 2 292.448 3.618 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1scnc1C)c1ccc(Cl)cc1 ZINC000491631177 332253828 /nfs/dbraw/zinc/25/38/28/332253828.db2.gz QCNHPJDFRHKONW-CYBMUJFWSA-N 1 2 276.792 3.569 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000513962947 333055415 /nfs/dbraw/zinc/05/54/15/333055415.db2.gz IFNPXRAJTJSQAE-MRXNPFEDSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000513962947 333055416 /nfs/dbraw/zinc/05/54/16/333055416.db2.gz IFNPXRAJTJSQAE-MRXNPFEDSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000513962946 333055524 /nfs/dbraw/zinc/05/55/24/333055524.db2.gz IFNPXRAJTJSQAE-INIZCTEOSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000513962946 333055526 /nfs/dbraw/zinc/05/55/26/333055526.db2.gz IFNPXRAJTJSQAE-INIZCTEOSA-N 1 2 294.398 3.857 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000543624605 333885612 /nfs/dbraw/zinc/88/56/12/333885612.db2.gz WESNSIBIDLHFRT-SNVBAGLBSA-N 1 2 291.807 3.713 20 30 CHEDLO CCCCOc1ccccc1CNc1cc(CC#N)cc[nH+]1 ZINC000545219034 333970340 /nfs/dbraw/zinc/97/03/40/333970340.db2.gz KTOKADUQBVNRAD-UHFFFAOYSA-N 1 2 295.386 3.939 20 30 CHEDLO CC(C)COc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000546635045 334042557 /nfs/dbraw/zinc/04/25/57/334042557.db2.gz REOCDIQIBQRCNO-UHFFFAOYSA-N 1 2 295.386 3.795 20 30 CHEDLO CCCCOc1ccccc1C[NH2+][C@H](CC)CC#N ZINC000136960078 334166147 /nfs/dbraw/zinc/16/61/47/334166147.db2.gz JSPVBWGKUGSOAA-OAHLLOKOSA-N 1 2 260.381 3.647 20 30 CHEDLO N#Cc1cc(CSc2[nH+]cc3ccccn32)ccc1F ZINC000158221656 334795596 /nfs/dbraw/zinc/79/55/96/334795596.db2.gz JNRAWIRKBYEQRI-UHFFFAOYSA-N 1 2 283.331 3.637 20 30 CHEDLO C=CC[C@@H](CC)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000344553486 335255550 /nfs/dbraw/zinc/25/55/50/335255550.db2.gz OVKIQDPVSVUQPZ-CYBMUJFWSA-N 1 2 293.374 3.582 20 30 CHEDLO C=C(C)COc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000179430182 335493510 /nfs/dbraw/zinc/49/35/10/335493510.db2.gz UBHJFNMZIQIRAG-UHFFFAOYSA-N 1 2 293.370 3.901 20 30 CHEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000383626022 336115900 /nfs/dbraw/zinc/11/59/00/336115900.db2.gz AJKFSLGOCRCPNO-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000383626022 336115901 /nfs/dbraw/zinc/11/59/01/336115901.db2.gz AJKFSLGOCRCPNO-LBPRGKRZSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@@H](c1ccccc1)[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356083145 534103620 /nfs/dbraw/zinc/10/36/20/534103620.db2.gz JGQMCGBDSDZUMK-LBPRGKRZSA-N 1 2 283.400 3.740 20 30 CHEDLO C[C@@H](c1ccccc1)[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356083145 534103630 /nfs/dbraw/zinc/10/36/30/534103630.db2.gz JGQMCGBDSDZUMK-LBPRGKRZSA-N 1 2 283.400 3.740 20 30 CHEDLO C#CCCCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279949069 518247050 /nfs/dbraw/zinc/24/70/50/518247050.db2.gz HZPMQPXCWUVNQN-UHFFFAOYSA-N 1 2 281.359 3.517 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000279998337 518662600 /nfs/dbraw/zinc/66/26/00/518662600.db2.gz UVVMHYJHTQZLLE-UHFFFAOYSA-N 1 2 250.411 3.593 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C#N)s1 ZINC000155547686 525024748 /nfs/dbraw/zinc/02/47/48/525024748.db2.gz IVIYOTNFQITGMR-UHFFFAOYSA-N 1 2 271.389 3.606 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1F)Cc1cnccc1C ZINC000353443538 526366407 /nfs/dbraw/zinc/36/64/07/526366407.db2.gz CZCLPKJMZGJZIV-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1cnccc1C ZINC000353443538 526366413 /nfs/dbraw/zinc/36/64/13/526366413.db2.gz CZCLPKJMZGJZIV-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO CC1CC[NH+](c2ccc(Nc3ccc(C#N)cn3)cc2)CC1 ZINC000301073944 528267841 /nfs/dbraw/zinc/26/78/41/528267841.db2.gz KCUWNBDDYYQSQA-UHFFFAOYSA-N 1 2 292.386 3.933 20 30 CHEDLO C#Cc1cc(Nc2ccc(Cl)cc2Cl)cc[nH+]1 ZINC001176652705 1121676348 /nfs/dbraw/zinc/67/63/48/1121676348.db2.gz LTVVHPRVYHKKHJ-UHFFFAOYSA-N 1 2 263.127 3.535 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686593 1123411859 /nfs/dbraw/zinc/41/18/59/1123411859.db2.gz JEANZHURMPEGIE-GJZGRUSLSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000852686593 1123411862 /nfs/dbraw/zinc/41/18/62/1123411862.db2.gz JEANZHURMPEGIE-GJZGRUSLSA-N 1 2 260.768 3.563 20 30 CHEDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCC#N ZINC000346271125 1123677173 /nfs/dbraw/zinc/67/71/73/1123677173.db2.gz NWYRXZXEJWXNKT-SNVBAGLBSA-N 1 2 256.271 3.612 20 30 CHEDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC#N ZINC000346271125 1123677174 /nfs/dbraw/zinc/67/71/74/1123677174.db2.gz NWYRXZXEJWXNKT-SNVBAGLBSA-N 1 2 256.271 3.612 20 30 CHEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173045602 1132380130 /nfs/dbraw/zinc/38/01/30/1132380130.db2.gz JGTJGOCOMZRQDH-MRXNPFEDSA-N 1 2 278.440 3.644 20 30 CHEDLO Cc1cccc(CNc2[nH+]cccc2OCCCC#N)c1C ZINC000162247856 1125745665 /nfs/dbraw/zinc/74/56/65/1125745665.db2.gz OQEPJZLDUFHGEN-UHFFFAOYSA-N 1 2 295.386 3.993 20 30 CHEDLO C[C@H]1CCC[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799554 1125762436 /nfs/dbraw/zinc/76/24/36/1125762436.db2.gz NJQKTJNKWPRFPU-JKSUJKDBSA-N 1 2 271.408 3.624 20 30 CHEDLO C[C@H]1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000092799554 1125762441 /nfs/dbraw/zinc/76/24/41/1125762441.db2.gz NJQKTJNKWPRFPU-JKSUJKDBSA-N 1 2 271.408 3.624 20 30 CHEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000766666597 1129722938 /nfs/dbraw/zinc/72/29/38/1129722938.db2.gz XFBHBXWQIAHFRS-SECBINFHSA-N 1 2 280.780 3.528 20 30 CHEDLO CC(C)Oc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338354709 1126736935 /nfs/dbraw/zinc/73/69/35/1126736935.db2.gz UWBCIMBSCJNNDQ-CQSZACIVSA-N 1 2 272.392 3.598 20 30 CHEDLO CC(C)Oc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338354709 1126736937 /nfs/dbraw/zinc/73/69/37/1126736937.db2.gz UWBCIMBSCJNNDQ-CQSZACIVSA-N 1 2 272.392 3.598 20 30 CHEDLO C=C1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000483389855 1126785482 /nfs/dbraw/zinc/78/54/82/1126785482.db2.gz GAZFQSOQPYKJPT-UHFFFAOYSA-N 1 2 296.292 3.999 20 30 CHEDLO C[C@H](C[N@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000176359034 1126790154 /nfs/dbraw/zinc/79/01/54/1126790154.db2.gz ORKUSEQSSUHGCU-MRXNPFEDSA-N 1 2 279.387 3.601 20 30 CHEDLO C[C@H](C[N@@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000176359034 1126790157 /nfs/dbraw/zinc/79/01/57/1126790157.db2.gz ORKUSEQSSUHGCU-MRXNPFEDSA-N 1 2 279.387 3.601 20 30 CHEDLO C=C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C=C)nc[nH+]1 ZINC000486498307 1126986302 /nfs/dbraw/zinc/98/63/02/1126986302.db2.gz QDXXRCHLWMQPOD-IYBDPMFKSA-N 1 2 298.434 3.566 20 30 CHEDLO C=C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C=C)[nH+]cn1 ZINC000486498307 1126986305 /nfs/dbraw/zinc/98/63/05/1126986305.db2.gz QDXXRCHLWMQPOD-IYBDPMFKSA-N 1 2 298.434 3.566 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)o1 ZINC000348875239 1127132278 /nfs/dbraw/zinc/13/22/78/1127132278.db2.gz KOMHXIJTYOBGAD-UHFFFAOYSA-N 1 2 287.407 3.944 20 30 CHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)o1 ZINC000348875239 1127132279 /nfs/dbraw/zinc/13/22/79/1127132279.db2.gz KOMHXIJTYOBGAD-UHFFFAOYSA-N 1 2 287.407 3.944 20 30 CHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000151376500 1127133886 /nfs/dbraw/zinc/13/38/86/1127133886.db2.gz HGLPLUWPCRAWEG-RMKNXTFCSA-N 1 2 292.338 3.547 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1F ZINC000349804745 1127162048 /nfs/dbraw/zinc/16/20/48/1127162048.db2.gz RTLOYNJNFROQFH-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1F ZINC000349804745 1127162052 /nfs/dbraw/zinc/16/20/52/1127162052.db2.gz RTLOYNJNFROQFH-UHFFFAOYSA-N 1 2 278.327 3.530 20 30 CHEDLO CCc1nocc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000351759795 1127208031 /nfs/dbraw/zinc/20/80/31/1127208031.db2.gz LQQKMBZQRVCGSG-WMZOPIPTSA-N 1 2 295.386 3.509 20 30 CHEDLO CCc1nocc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000351759795 1127208033 /nfs/dbraw/zinc/20/80/33/1127208033.db2.gz LQQKMBZQRVCGSG-WMZOPIPTSA-N 1 2 295.386 3.509 20 30 CHEDLO C=CC[N@H+](Cc1cnn2ccccc12)Cc1ccccc1F ZINC000352659520 1127241848 /nfs/dbraw/zinc/24/18/48/1127241848.db2.gz NQJCCWXOJSZMTN-UHFFFAOYSA-N 1 2 295.361 3.662 20 30 CHEDLO C=CC[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1F ZINC000352659520 1127241849 /nfs/dbraw/zinc/24/18/49/1127241849.db2.gz NQJCCWXOJSZMTN-UHFFFAOYSA-N 1 2 295.361 3.662 20 30 CHEDLO C[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648736 1127266840 /nfs/dbraw/zinc/26/68/40/1127266840.db2.gz CGUAKAHVNDVGPO-LRDDRELGSA-N 1 2 278.346 3.694 20 30 CHEDLO C[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000590648736 1127266843 /nfs/dbraw/zinc/26/68/43/1127266843.db2.gz CGUAKAHVNDVGPO-LRDDRELGSA-N 1 2 278.346 3.694 20 30 CHEDLO C#C[C@H](C)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000166496961 1127285930 /nfs/dbraw/zinc/28/59/30/1127285930.db2.gz QBOXNIIYHULYSY-ZETCQYMHSA-N 1 2 262.567 3.758 20 30 CHEDLO Cc1cc(CNc2nc(C(C)(C)C)ccc2C#N)cc(C)[nH+]1 ZINC000591462625 1127303677 /nfs/dbraw/zinc/30/36/77/1127303677.db2.gz OINDYTSDUWWLIW-UHFFFAOYSA-N 1 2 294.402 3.875 20 30 CHEDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccncc1C#N ZINC000592095407 1127335665 /nfs/dbraw/zinc/33/56/65/1127335665.db2.gz VUQQWIFPONOLJT-KRWDZBQOSA-N 1 2 295.386 3.593 20 30 CHEDLO C=C(Br)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058396948 1127342224 /nfs/dbraw/zinc/34/22/24/1127342224.db2.gz NYYLCRYUXLHZSL-UHFFFAOYSA-N 1 2 293.208 3.677 20 30 CHEDLO C=C(Br)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058396948 1127342228 /nfs/dbraw/zinc/34/22/28/1127342228.db2.gz NYYLCRYUXLHZSL-UHFFFAOYSA-N 1 2 293.208 3.677 20 30 CHEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3Cl)CC2)o1 ZINC000592372864 1127343425 /nfs/dbraw/zinc/34/34/25/1127343425.db2.gz YHYSYHVMRFBFDE-UHFFFAOYSA-N 1 2 272.735 3.584 20 30 CHEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000593119788 1127374784 /nfs/dbraw/zinc/37/47/84/1127374784.db2.gz GMSKGNNCYUDSKD-GOSISDBHSA-N 1 2 278.330 3.700 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000593119788 1127374788 /nfs/dbraw/zinc/37/47/88/1127374788.db2.gz GMSKGNNCYUDSKD-GOSISDBHSA-N 1 2 278.330 3.700 20 30 CHEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2F)CCCC1 ZINC000593652737 1127392665 /nfs/dbraw/zinc/39/26/65/1127392665.db2.gz IYSCQXHVNYFJND-UHFFFAOYSA-N 1 2 266.747 3.653 20 30 CHEDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593650570 1127393025 /nfs/dbraw/zinc/39/30/25/1127393025.db2.gz VKZHRIGXFQDKET-GXTWGEPZSA-N 1 2 258.365 3.577 20 30 CHEDLO CC(C)(C#N)c1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000593944731 1127399878 /nfs/dbraw/zinc/39/98/78/1127399878.db2.gz PCPZAZKFIWXLOY-UHFFFAOYSA-N 1 2 290.370 3.561 20 30 CHEDLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358557377 1127426777 /nfs/dbraw/zinc/42/67/77/1127426777.db2.gz BMWFYULEZSYTHG-QWRGUYRKSA-N 1 2 289.379 3.874 20 30 CHEDLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358557378 1127426804 /nfs/dbraw/zinc/42/68/04/1127426804.db2.gz BMWFYULEZSYTHG-WDEREUQCSA-N 1 2 289.379 3.874 20 30 CHEDLO C=C(CC)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000358882133 1127437128 /nfs/dbraw/zinc/43/71/28/1127437128.db2.gz DROIGGLZSNRKPV-OAHLLOKOSA-N 1 2 282.391 3.575 20 30 CHEDLO C=C(CC)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000358882133 1127437129 /nfs/dbraw/zinc/43/71/29/1127437129.db2.gz DROIGGLZSNRKPV-OAHLLOKOSA-N 1 2 282.391 3.575 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000595614673 1127471230 /nfs/dbraw/zinc/47/12/30/1127471230.db2.gz MIGSUYAUOYQHAF-CYBMUJFWSA-N 1 2 289.448 3.926 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000595614673 1127471231 /nfs/dbraw/zinc/47/12/31/1127471231.db2.gz MIGSUYAUOYQHAF-CYBMUJFWSA-N 1 2 289.448 3.926 20 30 CHEDLO C[C@@H](C#N)[N@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000595709654 1127473477 /nfs/dbraw/zinc/47/34/77/1127473477.db2.gz HWQUGRZLRDGULP-UNXYVOJBSA-N 1 2 274.330 3.732 20 30 CHEDLO C[C@@H](C#N)[N@@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000595709654 1127473480 /nfs/dbraw/zinc/47/34/80/1127473480.db2.gz HWQUGRZLRDGULP-UNXYVOJBSA-N 1 2 274.330 3.732 20 30 CHEDLO N#CC[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000596326524 1127492746 /nfs/dbraw/zinc/49/27/46/1127492746.db2.gz URXHWBARGLAHAO-LBPRGKRZSA-N 1 2 269.323 3.504 20 30 CHEDLO Cc1cc2[nH]c(C[N@@H+](C)[C@@H](C)CC#N)cc2c(C)c1 ZINC000360868736 1127516354 /nfs/dbraw/zinc/51/63/54/1127516354.db2.gz AQIVBAAUYPUZDV-ZDUSSCGKSA-N 1 2 255.365 3.519 20 30 CHEDLO Cc1cc2[nH]c(C[N@H+](C)[C@@H](C)CC#N)cc2c(C)c1 ZINC000360868736 1127516357 /nfs/dbraw/zinc/51/63/57/1127516357.db2.gz AQIVBAAUYPUZDV-ZDUSSCGKSA-N 1 2 255.365 3.519 20 30 CHEDLO CCc1cccc2cc(C[N@H+](C)C[C@H](C)C#N)oc21 ZINC000596990908 1127524242 /nfs/dbraw/zinc/52/42/42/1127524242.db2.gz GRYGMZFDRFNEAK-GFCCVEGCSA-N 1 2 256.349 3.587 20 30 CHEDLO CCc1cccc2cc(C[N@@H+](C)C[C@H](C)C#N)oc21 ZINC000596990908 1127524244 /nfs/dbraw/zinc/52/42/44/1127524244.db2.gz GRYGMZFDRFNEAK-GFCCVEGCSA-N 1 2 256.349 3.587 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982142 1127623940 /nfs/dbraw/zinc/62/39/40/1127623940.db2.gz OBWREVHXBGTAGX-RDTXWAMCSA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982142 1127623943 /nfs/dbraw/zinc/62/39/43/1127623943.db2.gz OBWREVHXBGTAGX-RDTXWAMCSA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982141 1127624262 /nfs/dbraw/zinc/62/42/62/1127624262.db2.gz OBWREVHXBGTAGX-KSSFIOAISA-N 1 2 285.435 3.891 20 30 CHEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982141 1127624265 /nfs/dbraw/zinc/62/42/65/1127624265.db2.gz OBWREVHXBGTAGX-KSSFIOAISA-N 1 2 285.435 3.891 20 30 CHEDLO Cc1cc(C)c(NC(=O)CC2(C#N)CCCCC2)c(C)[nH+]1 ZINC000598804757 1127636774 /nfs/dbraw/zinc/63/67/74/1127636774.db2.gz JYSIIQJOZXUPSR-UHFFFAOYSA-N 1 2 285.391 3.810 20 30 CHEDLO C=C(C)[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(F)c(F)c1 ZINC000296487984 1127673687 /nfs/dbraw/zinc/67/36/87/1127673687.db2.gz PNCCAPFWJPDCRI-GJZGRUSLSA-N 1 2 289.329 3.513 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(F)c(F)c1 ZINC000296487987 1127673706 /nfs/dbraw/zinc/67/37/06/1127673706.db2.gz PNCCAPFWJPDCRI-HUUCEWRRSA-N 1 2 289.329 3.513 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(F)c(F)c1 ZINC000296487990 1127673896 /nfs/dbraw/zinc/67/38/96/1127673896.db2.gz PNCCAPFWJPDCRI-LSDHHAIUSA-N 1 2 289.329 3.513 20 30 CHEDLO CC(C)Oc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028668 1127771433 /nfs/dbraw/zinc/77/14/33/1127771433.db2.gz TVNNFGBJYHDXGK-UHFFFAOYSA-N 1 2 292.382 3.861 20 30 CHEDLO CC(C)Oc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028668 1127771435 /nfs/dbraw/zinc/77/14/35/1127771435.db2.gz TVNNFGBJYHDXGK-UHFFFAOYSA-N 1 2 292.382 3.861 20 30 CHEDLO C=CCCCCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606950384 1127784073 /nfs/dbraw/zinc/78/40/73/1127784073.db2.gz CLHFZKLYGKBTNZ-UHFFFAOYSA-N 1 2 286.379 3.544 20 30 CHEDLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCC#N ZINC000411469257 1127861969 /nfs/dbraw/zinc/86/19/69/1127861969.db2.gz LNHSLTKEAPNLEX-CQSZACIVSA-N 1 2 280.799 3.939 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000411693852 1127870459 /nfs/dbraw/zinc/87/04/59/1127870459.db2.gz MSLGASBAVHYNCD-SWLSCSKDSA-N 1 2 280.774 3.903 20 30 CHEDLO C[C@@H](CCC#N)[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000411693852 1127870465 /nfs/dbraw/zinc/87/04/65/1127870465.db2.gz MSLGASBAVHYNCD-SWLSCSKDSA-N 1 2 280.774 3.903 20 30 CHEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000411957956 1127881316 /nfs/dbraw/zinc/88/13/16/1127881316.db2.gz ZUHNRVUUHQNFAD-UHFFFAOYSA-N 1 2 270.376 3.535 20 30 CHEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCCC(C)(C)C#N)C2 ZINC000411957956 1127881320 /nfs/dbraw/zinc/88/13/20/1127881320.db2.gz ZUHNRVUUHQNFAD-UHFFFAOYSA-N 1 2 270.376 3.535 20 30 CHEDLO N#CCCCCNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001168429505 1127922038 /nfs/dbraw/zinc/92/20/38/1127922038.db2.gz SGRRTXGCCHDQEW-UHFFFAOYSA-N 1 2 281.359 3.766 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(Cl)o1)C1CCCC1 ZINC001233316319 1127947318 /nfs/dbraw/zinc/94/73/18/1127947318.db2.gz ZHEBFTZFNMVJSF-UHFFFAOYSA-N 1 2 252.745 3.591 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Cl)o1)C1CCCC1 ZINC001233316319 1127947320 /nfs/dbraw/zinc/94/73/20/1127947320.db2.gz ZHEBFTZFNMVJSF-UHFFFAOYSA-N 1 2 252.745 3.591 20 30 CHEDLO C=CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428796498 1127947604 /nfs/dbraw/zinc/94/76/04/1127947604.db2.gz YJKQSJMFTYTDGY-SMDDNHRTSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428796498 1127947606 /nfs/dbraw/zinc/94/76/06/1127947606.db2.gz YJKQSJMFTYTDGY-SMDDNHRTSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428796496 1127947653 /nfs/dbraw/zinc/94/76/53/1127947653.db2.gz YJKQSJMFTYTDGY-FZMZJTMJSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428796496 1127947656 /nfs/dbraw/zinc/94/76/56/1127947656.db2.gz YJKQSJMFTYTDGY-FZMZJTMJSA-N 1 2 285.309 3.653 20 30 CHEDLO N#CC1(CCCC[N@@H+](CC(F)F)C2CC2)CCC1 ZINC000929597536 1127972425 /nfs/dbraw/zinc/97/24/25/1127972425.db2.gz LBJMYRDXRZCAJH-UHFFFAOYSA-N 1 2 256.340 3.580 20 30 CHEDLO N#CC1(CCCC[N@H+](CC(F)F)C2CC2)CCC1 ZINC000929597536 1127972428 /nfs/dbraw/zinc/97/24/28/1127972428.db2.gz LBJMYRDXRZCAJH-UHFFFAOYSA-N 1 2 256.340 3.580 20 30 CHEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494195975 1128159438 /nfs/dbraw/zinc/15/94/38/1128159438.db2.gz SXXJSPLVOGXEBS-UHFFFAOYSA-N 1 2 268.744 3.646 20 30 CHEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494195975 1128159439 /nfs/dbraw/zinc/15/94/39/1128159439.db2.gz SXXJSPLVOGXEBS-UHFFFAOYSA-N 1 2 268.744 3.646 20 30 CHEDLO CC[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(C#N)c1O ZINC000926841310 1128197776 /nfs/dbraw/zinc/19/77/76/1128197776.db2.gz IVHWVUNWEBHOAR-CYBMUJFWSA-N 1 2 296.361 3.986 20 30 CHEDLO N#CC1(C[NH2+][C@H]2CCc3c2nccc3Cl)CCCCC1 ZINC000926711887 1128189600 /nfs/dbraw/zinc/18/96/00/1128189600.db2.gz OYPMFJFXVRKGGM-AWEZNQCLSA-N 1 2 289.810 3.786 20 30 CHEDLO C#CCOc1ccc([C@@H](C)Nc2ccc([NH+](C)C)cc2)cc1 ZINC000777602703 1128190267 /nfs/dbraw/zinc/19/02/67/1128190267.db2.gz SXZVAWJQTVISLR-OAHLLOKOSA-N 1 2 294.398 3.938 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1csc(C(F)(F)F)c1 ZINC000926873190 1128199231 /nfs/dbraw/zinc/19/92/31/1128199231.db2.gz DAEZZCNMUYLCEY-QMMMGPOBSA-N 1 2 274.311 3.721 20 30 CHEDLO C=C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000134928654 1128216984 /nfs/dbraw/zinc/21/69/84/1128216984.db2.gz KSOHUUJFHYBNDU-JGVFFNPUSA-N 1 2 288.160 3.519 20 30 CHEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000916248226 1128413885 /nfs/dbraw/zinc/41/38/85/1128413885.db2.gz SVVFVFBUFRAYMY-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC(C)(C)C)c1 ZINC000562458419 1128404101 /nfs/dbraw/zinc/40/41/01/1128404101.db2.gz IXWWQFAVRJIKDH-HNNXBMFYSA-N 1 2 299.418 3.705 20 30 CHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc(C)c2)s1 ZINC000916256444 1128412311 /nfs/dbraw/zinc/41/23/11/1128412311.db2.gz YTRYIDDTCHMERT-UHFFFAOYSA-N 1 2 288.420 3.744 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000917065374 1128473013 /nfs/dbraw/zinc/47/30/13/1128473013.db2.gz YICTXDZLBIRMRD-UHFFFAOYSA-N 1 2 263.690 3.890 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000917065374 1128473016 /nfs/dbraw/zinc/47/30/16/1128473016.db2.gz YICTXDZLBIRMRD-UHFFFAOYSA-N 1 2 263.690 3.890 20 30 CHEDLO CC(C)CCn1cccc1C[N@H+](C)CC(C)(C)C#N ZINC000556910414 1128641966 /nfs/dbraw/zinc/64/19/66/1128641966.db2.gz WTMRQIVWEQNKBO-UHFFFAOYSA-N 1 2 261.413 3.516 20 30 CHEDLO CC(C)CCn1cccc1C[N@@H+](C)CC(C)(C)C#N ZINC000556910414 1128641968 /nfs/dbraw/zinc/64/19/68/1128641968.db2.gz WTMRQIVWEQNKBO-UHFFFAOYSA-N 1 2 261.413 3.516 20 30 CHEDLO Cc1cn2c(cccc2Nc2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC001212245524 1128647465 /nfs/dbraw/zinc/64/74/65/1128647465.db2.gz VCOQOFHRASHUSW-UHFFFAOYSA-N 1 2 288.354 3.942 20 30 CHEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000157692308 1128660392 /nfs/dbraw/zinc/66/03/92/1128660392.db2.gz DBEJTQQWBADHAF-AWEZNQCLSA-N 1 2 295.386 3.656 20 30 CHEDLO C=C(Cl)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047752597 1128673055 /nfs/dbraw/zinc/67/30/55/1128673055.db2.gz UNBPHSZXKHRGMV-UHFFFAOYSA-N 1 2 280.618 3.695 20 30 CHEDLO C=C(Cl)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047752597 1128673059 /nfs/dbraw/zinc/67/30/59/1128673059.db2.gz UNBPHSZXKHRGMV-UHFFFAOYSA-N 1 2 280.618 3.695 20 30 CHEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)s1 ZINC000920401378 1128680504 /nfs/dbraw/zinc/68/05/04/1128680504.db2.gz XRWWTZVEGZHGLW-UHFFFAOYSA-N 1 2 292.379 3.650 20 30 CHEDLO CCN(C)c1ccc(Nc2ccc(C3(C#N)CC3)cc2)c[nH+]1 ZINC001212251713 1128698881 /nfs/dbraw/zinc/69/88/81/1128698881.db2.gz QZZGEAAXLGFFBX-UHFFFAOYSA-N 1 2 292.386 3.836 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C1CC(c2ccccc2)C1 ZINC000728226504 1118032413 /nfs/dbraw/zinc/03/24/13/1118032413.db2.gz RDMMWKXMPCUKCW-LDADJPATSA-N 1 2 251.329 3.757 20 30 CHEDLO Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000183817158 1118049361 /nfs/dbraw/zinc/04/93/61/1118049361.db2.gz JGHJMKHPILYCRM-NSHDSACASA-N 1 2 272.323 3.643 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(C(C)C)cc1 ZINC000901437938 1128754397 /nfs/dbraw/zinc/75/43/97/1128754397.db2.gz MFANKJCVEVRCQP-MDZDMXLPSA-N 1 2 268.360 3.923 20 30 CHEDLO CCCc1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000901438376 1128755167 /nfs/dbraw/zinc/75/51/67/1128755167.db2.gz HQDZDTYDODLEAC-ZHACJKMWSA-N 1 2 268.360 3.875 20 30 CHEDLO CNc1ccc(Nc2c(C#N)ccc3ccccc32)c[nH+]1 ZINC001203455868 1118126246 /nfs/dbraw/zinc/12/62/46/1118126246.db2.gz XLBNHLVHAPCFFV-UHFFFAOYSA-N 1 2 274.327 3.892 20 30 CHEDLO C=C(C)c1cccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC000890889016 1118169024 /nfs/dbraw/zinc/16/90/24/1118169024.db2.gz OHUFBJXZICEDML-UHFFFAOYSA-N 1 2 283.375 3.598 20 30 CHEDLO C=CCOc1ccc(CNc2cc(C)c[nH+]c2C)cc1OC ZINC000650241777 1118183930 /nfs/dbraw/zinc/18/39/30/1118183930.db2.gz KUDDAJSUXMUELM-UHFFFAOYSA-N 1 2 298.386 3.884 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1NCc1csc(C#N)c1 ZINC000921562525 1118200412 /nfs/dbraw/zinc/20/04/12/1118200412.db2.gz QDAZSHCYVBECDQ-UHFFFAOYSA-N 1 2 271.389 3.606 20 30 CHEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000615837636 1118286232 /nfs/dbraw/zinc/28/62/32/1118286232.db2.gz PHDVFMAMKYJLMR-RKCSUWQLSA-N 1 2 299.374 3.624 20 30 CHEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000615837636 1118286235 /nfs/dbraw/zinc/28/62/35/1118286235.db2.gz PHDVFMAMKYJLMR-RKCSUWQLSA-N 1 2 299.374 3.624 20 30 CHEDLO CCCCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000610346489 1118341130 /nfs/dbraw/zinc/34/11/30/1118341130.db2.gz VOZJIKKPEZAYAD-STQMWFEESA-N 1 2 298.390 3.696 20 30 CHEDLO CCCCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000610346486 1118341150 /nfs/dbraw/zinc/34/11/50/1118341150.db2.gz VOZJIKKPEZAYAD-QWHCGFSZSA-N 1 2 298.390 3.696 20 30 CHEDLO C[C@H]1CC(=O)C=C(Nc2cc[nH+]c(C(C)(C)C)c2)C1 ZINC001210767972 1118376807 /nfs/dbraw/zinc/37/68/07/1118376807.db2.gz AATOOPFLTARUOX-LLVKDONJSA-N 1 2 258.365 3.674 20 30 CHEDLO C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1CCC#N ZINC000932924389 1118479269 /nfs/dbraw/zinc/47/92/69/1118479269.db2.gz WRWZZHNCCBMCNO-CYBMUJFWSA-N 1 2 268.813 3.712 20 30 CHEDLO C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CCC#N ZINC000932924389 1118479272 /nfs/dbraw/zinc/47/92/72/1118479272.db2.gz WRWZZHNCCBMCNO-CYBMUJFWSA-N 1 2 268.813 3.712 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC[C@@H]1CCCCO1 ZINC000588409868 1118582699 /nfs/dbraw/zinc/58/26/99/1118582699.db2.gz FORRVOUWMQKNMN-CCNLRRDASA-N 1 2 283.371 3.924 20 30 CHEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000121520909 1118730604 /nfs/dbraw/zinc/73/06/04/1118730604.db2.gz LUBVJXSIFIRVDD-QGZVFWFLSA-N 1 2 298.361 3.623 20 30 CHEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000121520909 1118730608 /nfs/dbraw/zinc/73/06/08/1118730608.db2.gz LUBVJXSIFIRVDD-QGZVFWFLSA-N 1 2 298.361 3.623 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430760303 1118768451 /nfs/dbraw/zinc/76/84/51/1118768451.db2.gz HCUQTLRWZSLHNT-OAHLLOKOSA-N 1 2 292.810 3.911 20 30 CHEDLO CC[N@@H+](Cc1ccc(-c2ccccc2)o1)C[C@H](C)C#N ZINC000091982239 1118820801 /nfs/dbraw/zinc/82/08/01/1118820801.db2.gz KEKVODRWGHVFBR-CQSZACIVSA-N 1 2 268.360 3.928 20 30 CHEDLO CC[N@H+](Cc1ccc(-c2ccccc2)o1)C[C@H](C)C#N ZINC000091982239 1118820804 /nfs/dbraw/zinc/82/08/04/1118820804.db2.gz KEKVODRWGHVFBR-CQSZACIVSA-N 1 2 268.360 3.928 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncccc1Cl ZINC000528528377 1118913066 /nfs/dbraw/zinc/91/30/66/1118913066.db2.gz YLOVWLCRLKIWQU-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncccc1Cl ZINC000528528377 1118913067 /nfs/dbraw/zinc/91/30/67/1118913067.db2.gz YLOVWLCRLKIWQU-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1cccc2[nH]cc(CC/[NH+]=C\c3cccc(O)c3O)c21 ZINC000728438246 1118944578 /nfs/dbraw/zinc/94/45/78/1118944578.db2.gz RAKRBTPDZMPPOY-GRSHGNNSSA-N 1 2 294.354 3.549 20 30 CHEDLO COc1ccsc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000588489100 1118954212 /nfs/dbraw/zinc/95/42/12/1118954212.db2.gz VAERLQIBUCHQOV-PLNGDYQASA-N 1 2 298.367 3.609 20 30 CHEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)sc1C ZINC000176335817 1119116410 /nfs/dbraw/zinc/11/64/10/1119116410.db2.gz KXQBSCWQMCHIOG-UHFFFAOYSA-N 1 2 297.427 3.796 20 30 CHEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)sc1C ZINC000176335817 1119116411 /nfs/dbraw/zinc/11/64/11/1119116411.db2.gz KXQBSCWQMCHIOG-UHFFFAOYSA-N 1 2 297.427 3.796 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccccc2C)o1 ZINC000075625477 1119177950 /nfs/dbraw/zinc/17/79/50/1119177950.db2.gz KYXHULIOYZUTAR-UHFFFAOYSA-N 1 2 268.360 3.824 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2cc(C#N)ccc2F)C2CC2)o1 ZINC000051966107 1119247086 /nfs/dbraw/zinc/24/70/86/1119247086.db2.gz OENMDMQADCZCOB-UHFFFAOYSA-N 1 2 284.334 3.763 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)o1 ZINC000051966107 1119247091 /nfs/dbraw/zinc/24/70/91/1119247091.db2.gz OENMDMQADCZCOB-UHFFFAOYSA-N 1 2 284.334 3.763 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C3\CCc4ccccc4C3=O)n2c1 ZINC000178765552 1119289646 /nfs/dbraw/zinc/28/96/46/1119289646.db2.gz UAEVPSGDXPUHTA-XNTDXEJSSA-N 1 2 288.350 3.855 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C)cn1 ZINC000154261541 1119305677 /nfs/dbraw/zinc/30/56/77/1119305677.db2.gz VRYSOIBZQZDUJV-UHFFFAOYSA-N 1 2 259.397 3.542 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C)cn1 ZINC000154261541 1119305680 /nfs/dbraw/zinc/30/56/80/1119305680.db2.gz VRYSOIBZQZDUJV-UHFFFAOYSA-N 1 2 259.397 3.542 20 30 CHEDLO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000052164097 1119309829 /nfs/dbraw/zinc/30/98/29/1119309829.db2.gz PWYNTWSYCIEKJN-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000052164097 1119309834 /nfs/dbraw/zinc/30/98/34/1119309834.db2.gz PWYNTWSYCIEKJN-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CC[N@@H+](CCC#N)CCSc1ccc(Cl)cc1 ZINC000081040342 1119508570 /nfs/dbraw/zinc/50/85/70/1119508570.db2.gz QAXVBDASNXZBJB-UHFFFAOYSA-N 1 2 268.813 3.668 20 30 CHEDLO CC[N@H+](CCC#N)CCSc1ccc(Cl)cc1 ZINC000081040342 1119508574 /nfs/dbraw/zinc/50/85/74/1119508574.db2.gz QAXVBDASNXZBJB-UHFFFAOYSA-N 1 2 268.813 3.668 20 30 CHEDLO CC[N@H+](CCC#N)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000081040321 1119508990 /nfs/dbraw/zinc/50/89/90/1119508990.db2.gz XMOHDHVHBULBOU-JTQLQIEISA-N 1 2 254.736 3.776 20 30 CHEDLO CC[N@@H+](CCC#N)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000081040321 1119508994 /nfs/dbraw/zinc/50/89/94/1119508994.db2.gz XMOHDHVHBULBOU-JTQLQIEISA-N 1 2 254.736 3.776 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143454812 1119528461 /nfs/dbraw/zinc/52/84/61/1119528461.db2.gz KKLPPWBECXAEAI-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143454812 1119528464 /nfs/dbraw/zinc/52/84/64/1119528464.db2.gz KKLPPWBECXAEAI-UHFFFAOYSA-N 1 2 270.298 3.749 20 30 CHEDLO C=CC[C@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000628406771 1128856686 /nfs/dbraw/zinc/85/66/86/1128856686.db2.gz QFVMBTQGYHPVLZ-VIFPVBQESA-N 1 2 276.327 3.560 20 30 CHEDLO C=CC[C@H]1CC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000628406771 1128856691 /nfs/dbraw/zinc/85/66/91/1128856691.db2.gz QFVMBTQGYHPVLZ-VIFPVBQESA-N 1 2 276.327 3.560 20 30 CHEDLO CC(C)(C)[C@@H]1OCCC[C@H]1C/[NH+]=C\c1ccccc1O ZINC000255630156 1119663877 /nfs/dbraw/zinc/66/38/77/1119663877.db2.gz ZHJGOPMNJGFVEC-ZZLSVVOUSA-N 1 2 275.392 3.652 20 30 CHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Cl)nc3)c[nH+]c12 ZINC000255721795 1119735402 /nfs/dbraw/zinc/73/54/02/1119735402.db2.gz YFRHUOHNZFUKRZ-WAYWQWQTSA-N 1 2 297.745 3.587 20 30 CHEDLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161788 1119738421 /nfs/dbraw/zinc/73/84/21/1119738421.db2.gz ACEKHOKBCLOCCY-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161788 1119738425 /nfs/dbraw/zinc/73/84/25/1119738425.db2.gz ACEKHOKBCLOCCY-KRWDZBQOSA-N 1 2 272.392 3.599 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(F)c(F)c1 ZINC000628240697 1119744621 /nfs/dbraw/zinc/74/46/21/1119744621.db2.gz PJITVCMMXVRDRA-OAHLLOKOSA-N 1 2 278.302 3.668 20 30 CHEDLO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)c2O1 ZINC000612405890 1119783422 /nfs/dbraw/zinc/78/34/22/1119783422.db2.gz DMTPDCXOPHNYBF-SFHVURJKSA-N 1 2 284.403 3.526 20 30 CHEDLO CC1(C)Cc2cccc(C[N@H+]3CCC[C@@](C)(C#N)C3)c2O1 ZINC000612405890 1119783426 /nfs/dbraw/zinc/78/34/26/1119783426.db2.gz DMTPDCXOPHNYBF-SFHVURJKSA-N 1 2 284.403 3.526 20 30 CHEDLO CCCCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612404390 1119783828 /nfs/dbraw/zinc/78/38/28/1119783828.db2.gz VFQUCJNOWYMJGT-GOSISDBHSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612404390 1119783830 /nfs/dbraw/zinc/78/38/30/1119783830.db2.gz VFQUCJNOWYMJGT-GOSISDBHSA-N 1 2 286.419 3.991 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612407177 1119784143 /nfs/dbraw/zinc/78/41/43/1119784143.db2.gz ZTBCNVOUPXFUJL-GOSISDBHSA-N 1 2 294.402 3.511 20 30 CHEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612407177 1119784146 /nfs/dbraw/zinc/78/41/46/1119784146.db2.gz ZTBCNVOUPXFUJL-GOSISDBHSA-N 1 2 294.402 3.511 20 30 CHEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000414125329 1119907343 /nfs/dbraw/zinc/90/73/43/1119907343.db2.gz CSWSBWABMCOBTC-MEDUHNTESA-N 1 2 291.345 3.666 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c(C)c1 ZINC000180309955 1119979853 /nfs/dbraw/zinc/97/98/53/1119979853.db2.gz LIYUIHVFEOOECP-VQHVLOKHSA-N 1 2 276.339 3.847 20 30 CHEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(OC(F)(F)F)c1 ZINC001143471495 1119991486 /nfs/dbraw/zinc/99/14/86/1119991486.db2.gz IIPDZGRWPXNJLS-CQSZACIVSA-N 1 2 298.308 3.629 20 30 CHEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(OC(F)(F)F)c1 ZINC001143471495 1119991489 /nfs/dbraw/zinc/99/14/89/1119991489.db2.gz IIPDZGRWPXNJLS-CQSZACIVSA-N 1 2 298.308 3.629 20 30 CHEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921652831 1120055224 /nfs/dbraw/zinc/05/52/24/1120055224.db2.gz CEUFUAVBERPMBC-KRWDZBQOSA-N 1 2 296.374 3.572 20 30 CHEDLO N#Cc1c(C[N@@H+]2CC[C@H]2c2ccccc2)cn2ccccc12 ZINC000348539723 1120075977 /nfs/dbraw/zinc/07/59/77/1120075977.db2.gz ATAKGXRYDUIUDN-SFHVURJKSA-N 1 2 287.366 3.758 20 30 CHEDLO N#Cc1c(C[N@H+]2CC[C@H]2c2ccccc2)cn2ccccc12 ZINC000348539723 1120075980 /nfs/dbraw/zinc/07/59/80/1120075980.db2.gz ATAKGXRYDUIUDN-SFHVURJKSA-N 1 2 287.366 3.758 20 30 CHEDLO C=CC[C@@H](CC)[NH2+]Cc1cccc(Br)c1O ZINC000309489708 1120120376 /nfs/dbraw/zinc/12/03/76/1120120376.db2.gz WRPRQUQHMSZVMG-LLVKDONJSA-N 1 2 284.197 3.599 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000183826257 1120142489 /nfs/dbraw/zinc/14/24/89/1120142489.db2.gz SGYKJCVGAMYASG-HNNXBMFYSA-N 1 2 280.371 3.515 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(C)(C)C#N ZINC000405107359 1120189194 /nfs/dbraw/zinc/18/91/94/1120189194.db2.gz HTROUIXEXFJCEC-LLVKDONJSA-N 1 2 250.773 3.883 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(C)(C)C#N ZINC000405107359 1120189198 /nfs/dbraw/zinc/18/91/98/1120189198.db2.gz HTROUIXEXFJCEC-LLVKDONJSA-N 1 2 250.773 3.883 20 30 CHEDLO C=CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccncc1 ZINC000921748321 1120196121 /nfs/dbraw/zinc/19/61/21/1120196121.db2.gz VOOGOIHTZWEMLL-CQSZACIVSA-N 1 2 285.391 3.774 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000584816368 1120455445 /nfs/dbraw/zinc/45/54/45/1120455445.db2.gz OXOXCWHLWKFFPR-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000584816368 1120455446 /nfs/dbraw/zinc/45/54/46/1120455446.db2.gz OXOXCWHLWKFFPR-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC000428871396 1120545708 /nfs/dbraw/zinc/54/57/08/1120545708.db2.gz KKTQKYJVUSTTJA-UHFFFAOYSA-N 1 2 278.783 3.511 20 30 CHEDLO C=CC[N@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC000428871396 1120545710 /nfs/dbraw/zinc/54/57/10/1120545710.db2.gz KKTQKYJVUSTTJA-UHFFFAOYSA-N 1 2 278.783 3.511 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000054183582 1120635617 /nfs/dbraw/zinc/63/56/17/1120635617.db2.gz MYKIZTQCKNVVOR-LLVKDONJSA-N 1 2 288.725 3.723 20 30 CHEDLO C=CC[C@H]1[N@@H+](Cc2noc(C3CCC3)n2)CCCC1(C)C ZINC000625375554 1120673538 /nfs/dbraw/zinc/67/35/38/1120673538.db2.gz SMDDGUXDXKOSEH-CQSZACIVSA-N 1 2 289.423 3.904 20 30 CHEDLO C=CC[C@H]1[N@H+](Cc2noc(C3CCC3)n2)CCCC1(C)C ZINC000625375554 1120673542 /nfs/dbraw/zinc/67/35/42/1120673542.db2.gz SMDDGUXDXKOSEH-CQSZACIVSA-N 1 2 289.423 3.904 20 30 CHEDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1Cl ZINC000162862028 1120694384 /nfs/dbraw/zinc/69/43/84/1120694384.db2.gz HYBFDLREKBXSLY-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1Cl ZINC000162862028 1120694388 /nfs/dbraw/zinc/69/43/88/1120694388.db2.gz HYBFDLREKBXSLY-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000093100519 1120705275 /nfs/dbraw/zinc/70/52/75/1120705275.db2.gz HDVYRUXCRZNPGE-PKOBYXMFSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000093100519 1120705277 /nfs/dbraw/zinc/70/52/77/1120705277.db2.gz HDVYRUXCRZNPGE-PKOBYXMFSA-N 1 2 291.398 3.601 20 30 CHEDLO Cc1ccc2[nH]c(C[N@@H+](C[C@H](C)C#N)C3CC3)cc2c1C ZINC000473134526 1120793734 /nfs/dbraw/zinc/79/37/34/1120793734.db2.gz XTISRBVMAXDXIA-GFCCVEGCSA-N 1 2 281.403 3.909 20 30 CHEDLO Cc1ccc2[nH]c(C[N@H+](C[C@H](C)C#N)C3CC3)cc2c1C ZINC000473134526 1120793736 /nfs/dbraw/zinc/79/37/36/1120793736.db2.gz XTISRBVMAXDXIA-GFCCVEGCSA-N 1 2 281.403 3.909 20 30 CHEDLO CC[N@@H+](Cc1cc2c(ccc(C)c2C)[nH]1)C[C@@H](C)C#N ZINC000473142546 1120806569 /nfs/dbraw/zinc/80/65/69/1120806569.db2.gz JJRVMNPSACDRKU-LBPRGKRZSA-N 1 2 269.392 3.766 20 30 CHEDLO CC[N@H+](Cc1cc2c(ccc(C)c2C)[nH]1)C[C@@H](C)C#N ZINC000473142546 1120806573 /nfs/dbraw/zinc/80/65/73/1120806573.db2.gz JJRVMNPSACDRKU-LBPRGKRZSA-N 1 2 269.392 3.766 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)c(Cl)c1 ZINC000344234330 1121126087 /nfs/dbraw/zinc/12/60/87/1121126087.db2.gz JDMZFRLPZLGXPF-UHFFFAOYSA-N 1 2 286.762 3.753 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)c(Cl)c1 ZINC000344234330 1121126091 /nfs/dbraw/zinc/12/60/91/1121126091.db2.gz JDMZFRLPZLGXPF-UHFFFAOYSA-N 1 2 286.762 3.753 20 30 CHEDLO C#Cc1cc(Nc2ccc(C)c3ccccc23)cc[nH+]1 ZINC001174986712 1121142071 /nfs/dbraw/zinc/14/20/71/1121142071.db2.gz UOVCKHVPFLNJRO-UHFFFAOYSA-N 1 2 258.324 3.690 20 30 CHEDLO CC[N@@H+](CCC#N)CCOc1ccc(C(C)C)c(C)c1 ZINC000348568301 1121188599 /nfs/dbraw/zinc/18/85/99/1121188599.db2.gz AVMZYLCOHKWQOH-UHFFFAOYSA-N 1 2 274.408 3.733 20 30 CHEDLO CC[N@H+](CCC#N)CCOc1ccc(C(C)C)c(C)c1 ZINC000348568301 1121188601 /nfs/dbraw/zinc/18/86/01/1121188601.db2.gz AVMZYLCOHKWQOH-UHFFFAOYSA-N 1 2 274.408 3.733 20 30 CHEDLO CN(C)c1ccc(Nc2sc3ccccc3c2C#N)c[nH+]1 ZINC001175341444 1121271893 /nfs/dbraw/zinc/27/18/93/1121271893.db2.gz RTGCXGSZALOUNJ-UHFFFAOYSA-N 1 2 294.383 3.978 20 30 CHEDLO N#Cc1cccc(Cl)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351657 1121293608 /nfs/dbraw/zinc/29/36/08/1121293608.db2.gz KTEJHEHMVUIUMO-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351728 1121294315 /nfs/dbraw/zinc/29/43/15/1121294315.db2.gz SYAKDUHNDLUYAO-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246516651 1121307238 /nfs/dbraw/zinc/30/72/38/1121307238.db2.gz IHMDXJHFAMVCRX-SUMWQHHRSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246516651 1121307244 /nfs/dbraw/zinc/30/72/44/1121307244.db2.gz IHMDXJHFAMVCRX-SUMWQHHRSA-N 1 2 298.411 3.754 20 30 CHEDLO CCc1ccc(C)[nH+]c1Nc1cc(F)cc(C#N)c1 ZINC001175679111 1121429174 /nfs/dbraw/zinc/42/91/74/1121429174.db2.gz JWQPLFGOLMKTAQ-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO C#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1F ZINC001175717279 1121436670 /nfs/dbraw/zinc/43/66/70/1121436670.db2.gz HHHLXKNENJERAJ-UHFFFAOYSA-N 1 2 295.239 3.547 20 30 CHEDLO CC[N@H+](Cc1nc(C(C)C)c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000893952956 1121446172 /nfs/dbraw/zinc/44/61/72/1121446172.db2.gz XMZHWKPIONFAMW-CQSZACIVSA-N 1 2 296.418 3.988 20 30 CHEDLO CC[N@@H+](Cc1nc(C(C)C)c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000893952956 1121446175 /nfs/dbraw/zinc/44/61/75/1121446175.db2.gz XMZHWKPIONFAMW-CQSZACIVSA-N 1 2 296.418 3.988 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000182270872 1121485758 /nfs/dbraw/zinc/48/57/58/1121485758.db2.gz OYNDLCLZEJEBPD-LLVKDONJSA-N 1 2 272.298 3.687 20 30 CHEDLO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)C(F)F ZINC000619432115 1128991674 /nfs/dbraw/zinc/99/16/74/1128991674.db2.gz WJMRQJZHWSYECA-UHFFFAOYSA-N 1 2 282.334 3.502 20 30 CHEDLO COc1cc[nH+]cc1Nc1c(C#N)cccc1C(F)(F)F ZINC001176122615 1121557827 /nfs/dbraw/zinc/55/78/27/1121557827.db2.gz DDMCUQKMAZYYDL-UHFFFAOYSA-N 1 2 293.248 3.724 20 30 CHEDLO C[N@H+](Cc1cscc1Cl)Cc1cccc(C#N)c1 ZINC000611254315 1121632664 /nfs/dbraw/zinc/63/26/64/1121632664.db2.gz DPRDOPTUUAZSRV-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[N@@H+](Cc1cscc1Cl)Cc1cccc(C#N)c1 ZINC000611254315 1121632668 /nfs/dbraw/zinc/63/26/68/1121632668.db2.gz DPRDOPTUUAZSRV-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C[C@@H]1CCC(F)(F)C[N@@H+]1CCCCC(C)(C)C#N ZINC001176897179 1121702023 /nfs/dbraw/zinc/70/20/23/1121702023.db2.gz KJWUOODPKGEAEZ-GFCCVEGCSA-N 1 2 258.356 3.826 20 30 CHEDLO C[C@@H]1CCC(F)(F)C[N@H+]1CCCCC(C)(C)C#N ZINC001176897179 1121702030 /nfs/dbraw/zinc/70/20/30/1121702030.db2.gz KJWUOODPKGEAEZ-GFCCVEGCSA-N 1 2 258.356 3.826 20 30 CHEDLO O=C1c2ccc(Cl)c(Cl)c2C/C1=C\c1[nH]cc[nH+]1 ZINC000731159428 1121853435 /nfs/dbraw/zinc/85/34/35/1121853435.db2.gz QUHJVOFCILRVLW-VOTSOKGWSA-N 1 2 279.126 3.539 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccnc2ccccc12 ZINC000731316926 1121862876 /nfs/dbraw/zinc/86/28/76/1121862876.db2.gz PGVSNTLBGBBYJO-UHFFFAOYSA-N 1 2 298.349 3.651 20 30 CHEDLO N#CC[N@@H+](CCCc1ccc(F)c(F)c1)C1CCCC1 ZINC001180141708 1121950040 /nfs/dbraw/zinc/95/00/40/1121950040.db2.gz HZZFNZBKOXZCEN-UHFFFAOYSA-N 1 2 278.346 3.666 20 30 CHEDLO N#CC[N@H+](CCCc1ccc(F)c(F)c1)C1CCCC1 ZINC001180141708 1121950047 /nfs/dbraw/zinc/95/00/47/1121950047.db2.gz HZZFNZBKOXZCEN-UHFFFAOYSA-N 1 2 278.346 3.666 20 30 CHEDLO CO[C@@H]1CCC[C@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000774543528 1122190741 /nfs/dbraw/zinc/19/07/41/1122190741.db2.gz XDKHMWANOCOLBN-CCWMHJGJSA-N 1 2 283.371 3.779 20 30 CHEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OCC ZINC001183312472 1122217357 /nfs/dbraw/zinc/21/73/57/1122217357.db2.gz KMXPNGTVLPQMTO-KGLIPLIRSA-N 1 2 289.847 3.865 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)[C@H](c1nccn1C)C1CC1 ZINC000637870609 1122301879 /nfs/dbraw/zinc/30/18/79/1122301879.db2.gz DGLXBCRNOWPLMC-HNNXBMFYSA-N 1 2 287.432 3.621 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](c1nccn1C)C1CC1 ZINC000637870609 1122301885 /nfs/dbraw/zinc/30/18/85/1122301885.db2.gz DGLXBCRNOWPLMC-HNNXBMFYSA-N 1 2 287.432 3.621 20 30 CHEDLO Cc1cncc(C[N@H+](CCC#N)C2CCCCCCC2)n1 ZINC001203169989 1122481191 /nfs/dbraw/zinc/48/11/91/1122481191.db2.gz FATTYZXQTJMESH-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1cncc(C[N@@H+](CCC#N)C2CCCCCCC2)n1 ZINC001203169989 1122481194 /nfs/dbraw/zinc/48/11/94/1122481194.db2.gz FATTYZXQTJMESH-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC000775398056 1122543228 /nfs/dbraw/zinc/54/32/28/1122543228.db2.gz DWELTEZWKNMYFP-HNNXBMFYSA-N 1 2 268.360 3.652 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1ncc(C(C)C)o1)c1ccccc1 ZINC000775398058 1122543243 /nfs/dbraw/zinc/54/32/43/1122543243.db2.gz DWELTEZWKNMYFP-OAHLLOKOSA-N 1 2 268.360 3.652 20 30 CHEDLO C=CCOC(=O)Nc1ccc(Oc2cc[nH+]c(C)c2)cc1 ZINC001194319873 1122765229 /nfs/dbraw/zinc/76/52/29/1122765229.db2.gz JFAYCAQKGQMSLK-UHFFFAOYSA-N 1 2 284.315 3.917 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000426581770 1122828028 /nfs/dbraw/zinc/82/80/28/1122828028.db2.gz WBXNDQGCTBHINA-NSHDSACASA-N 1 2 255.283 3.644 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000426581770 1122828023 /nfs/dbraw/zinc/82/80/23/1122828023.db2.gz WBXNDQGCTBHINA-NSHDSACASA-N 1 2 255.283 3.644 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001195305819 1122862659 /nfs/dbraw/zinc/86/26/59/1122862659.db2.gz GSIZVEMOOJAWOI-IRXDYDNUSA-N 1 2 254.377 3.763 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001195305819 1122862661 /nfs/dbraw/zinc/86/26/61/1122862661.db2.gz GSIZVEMOOJAWOI-IRXDYDNUSA-N 1 2 254.377 3.763 20 30 CHEDLO CCCCCCCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC001195651220 1122880535 /nfs/dbraw/zinc/88/05/35/1122880535.db2.gz VQDBCPNPYMSRPC-KRWDZBQOSA-N 1 2 293.455 3.544 20 30 CHEDLO CCCCCCCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC001195651220 1122880540 /nfs/dbraw/zinc/88/05/40/1122880540.db2.gz VQDBCPNPYMSRPC-KRWDZBQOSA-N 1 2 293.455 3.544 20 30 CHEDLO N#CC1(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000776005271 1123035211 /nfs/dbraw/zinc/03/52/11/1123035211.db2.gz KQIIMCNNBWTVMJ-UHFFFAOYSA-N 1 2 298.336 3.948 20 30 CHEDLO CC[C@@H](F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000440773719 1123037873 /nfs/dbraw/zinc/03/78/73/1123037873.db2.gz YWWOLGJDPLYRNC-SSDOTTSWSA-N 1 2 281.215 3.551 20 30 CHEDLO CC[C@@H](F)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000440773719 1123037876 /nfs/dbraw/zinc/03/78/76/1123037876.db2.gz YWWOLGJDPLYRNC-SSDOTTSWSA-N 1 2 281.215 3.551 20 30 CHEDLO O=C1c2cc(F)ccc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000776192375 1123120341 /nfs/dbraw/zinc/12/03/41/1123120341.db2.gz JGPNHZILAFMDEX-JLHYYAGUSA-N 1 2 292.313 3.686 20 30 CHEDLO CC[N@H+](C)c1ccc(Nc2cc(C#N)ccc2OC)cc1 ZINC001201591394 1123129286 /nfs/dbraw/zinc/12/92/86/1123129286.db2.gz KLCFPIOZTWBCPY-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC[N@@H+](C)c1ccc(Nc2cc(C#N)ccc2OC)cc1 ZINC001201591394 1123129289 /nfs/dbraw/zinc/12/92/89/1123129289.db2.gz KLCFPIOZTWBCPY-UHFFFAOYSA-N 1 2 281.359 3.767 20 30 CHEDLO CC(C)[N@H+](Cc1ccccn1)Cc1cccc(F)c1C#N ZINC000520483184 1123149156 /nfs/dbraw/zinc/14/91/56/1123149156.db2.gz KPKVKFLJOAHPTJ-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cccc(F)c1C#N ZINC000520483184 1123149159 /nfs/dbraw/zinc/14/91/59/1123149159.db2.gz KPKVKFLJOAHPTJ-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[C@@H](C#N)c1ccc(NCCCn2cc[nH+]c2)cc1 ZINC001161688250 1123150667 /nfs/dbraw/zinc/15/06/67/1123150667.db2.gz NEKBWRRXWAMCOO-QGZVFWFLSA-N 1 2 282.391 3.648 20 30 CHEDLO CCCCCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201804129 1123150660 /nfs/dbraw/zinc/15/06/60/1123150660.db2.gz CGDNBEWPPNBYNA-CQSZACIVSA-N 1 2 267.438 3.621 20 30 CHEDLO CCCCCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201804129 1123150663 /nfs/dbraw/zinc/15/06/63/1123150663.db2.gz CGDNBEWPPNBYNA-CQSZACIVSA-N 1 2 267.438 3.621 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000155486929 1129102883 /nfs/dbraw/zinc/10/28/83/1129102883.db2.gz VATUODMHQDZVPV-UHFFFAOYSA-N 1 2 288.338 3.540 20 30 CHEDLO C#CC[N@H+](Cc1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000155486929 1129102884 /nfs/dbraw/zinc/10/28/84/1129102884.db2.gz VATUODMHQDZVPV-UHFFFAOYSA-N 1 2 288.338 3.540 20 30 CHEDLO C=CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000850502707 1123276313 /nfs/dbraw/zinc/27/63/13/1123276313.db2.gz VDTSPUUBEFYHBD-QMMMGPOBSA-N 1 2 288.160 3.521 20 30 CHEDLO CC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1cccc(O)c1 ZINC000428200983 1123279506 /nfs/dbraw/zinc/27/95/06/1123279506.db2.gz ALEYTDVGSKVQHM-ZDUSSCGKSA-N 1 2 298.361 3.986 20 30 CHEDLO CC[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1cccc(O)c1 ZINC000428200983 1123279509 /nfs/dbraw/zinc/27/95/09/1123279509.db2.gz ALEYTDVGSKVQHM-ZDUSSCGKSA-N 1 2 298.361 3.986 20 30 CHEDLO C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000851143505 1123328019 /nfs/dbraw/zinc/32/80/19/1123328019.db2.gz LWLMTKRFIZCKQM-KFWWJZLASA-N 1 2 276.380 3.512 20 30 CHEDLO C=CC[C@@H]1CCCC[C@@H]1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000851143508 1123328340 /nfs/dbraw/zinc/32/83/40/1123328340.db2.gz LWLMTKRFIZCKQM-ZNMIVQPWSA-N 1 2 276.380 3.512 20 30 CHEDLO C=CC[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000852410671 1123404353 /nfs/dbraw/zinc/40/43/53/1123404353.db2.gz PBNSPCXDJTWOAU-SNVBAGLBSA-N 1 2 256.802 3.585 20 30 CHEDLO C=CC[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000852410671 1123404355 /nfs/dbraw/zinc/40/43/55/1123404355.db2.gz PBNSPCXDJTWOAU-SNVBAGLBSA-N 1 2 256.802 3.585 20 30 CHEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)CCC#N ZINC000853628108 1123444780 /nfs/dbraw/zinc/44/47/80/1123444780.db2.gz NDQWMHMNWGISFN-UHFFFAOYSA-N 1 2 285.391 3.616 20 30 CHEDLO Cc1cc(C)c2cc(N[C@H]3CC[C@@H](C#N)C3)ccc2[nH+]1 ZINC000895879636 1123524252 /nfs/dbraw/zinc/52/42/52/1123524252.db2.gz SUYRSBAUVAPXIK-KGLIPLIRSA-N 1 2 265.360 3.956 20 30 CHEDLO CC(C)(O)C(C)(C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000840710232 1123716604 /nfs/dbraw/zinc/71/66/04/1123716604.db2.gz PHXPEIVBDAWOOM-YBFXNURJSA-N 1 2 285.387 3.761 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c(C)c1 ZINC000119120609 1123831943 /nfs/dbraw/zinc/83/19/43/1123831943.db2.gz SIHYZRMOYKVRKC-VQHVLOKHSA-N 1 2 276.339 3.847 20 30 CHEDLO CC(C)Cc1cccc(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000794723050 1123940044 /nfs/dbraw/zinc/94/00/44/1123940044.db2.gz CUHQULWYNWUNPS-VOTSOKGWSA-N 1 2 254.333 3.504 20 30 CHEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1c(C)noc1C ZINC000428349541 1123980074 /nfs/dbraw/zinc/98/00/74/1123980074.db2.gz BMKPNFLBURHGOP-HNNXBMFYSA-N 1 2 287.338 3.543 20 30 CHEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1c(C)noc1C ZINC000428349545 1123980318 /nfs/dbraw/zinc/98/03/18/1123980318.db2.gz BMKPNFLBURHGOP-OAHLLOKOSA-N 1 2 287.338 3.543 20 30 CHEDLO CCOc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866235693 1124039681 /nfs/dbraw/zinc/03/96/81/1124039681.db2.gz JURDSVHLCDCRPN-CYBMUJFWSA-N 1 2 296.370 3.513 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866294029 1124048379 /nfs/dbraw/zinc/04/83/79/1124048379.db2.gz JRBOUIJOPXRQOW-APPDUMDISA-N 1 2 296.345 3.741 20 30 CHEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)CC(F)(F)F ZINC000866374322 1124058921 /nfs/dbraw/zinc/05/89/21/1124058921.db2.gz CAVDBSNWBGPMEB-ZJUUUORDSA-N 1 2 286.297 3.503 20 30 CHEDLO C=CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000525329240 1124122749 /nfs/dbraw/zinc/12/27/49/1124122749.db2.gz OATTZVSYPOEOKR-CQSZACIVSA-N 1 2 286.202 3.943 20 30 CHEDLO C=CCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000525329240 1124122750 /nfs/dbraw/zinc/12/27/50/1124122750.db2.gz OATTZVSYPOEOKR-CQSZACIVSA-N 1 2 286.202 3.943 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428455485 1124125060 /nfs/dbraw/zinc/12/50/60/1124125060.db2.gz DEAFTLXESNUBNT-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428455485 1124125061 /nfs/dbraw/zinc/12/50/61/1124125061.db2.gz DEAFTLXESNUBNT-UHFFFAOYSA-N 1 2 280.346 3.886 20 30 CHEDLO C[C@]1(F)CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745766 1129173590 /nfs/dbraw/zinc/17/35/90/1129173590.db2.gz IGBMVNHNKZNEIA-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237745766 1129173593 /nfs/dbraw/zinc/17/35/93/1129173593.db2.gz IGBMVNHNKZNEIA-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000779970949 1129178308 /nfs/dbraw/zinc/17/83/08/1129178308.db2.gz BKWBBTXHUVJNQP-UHFFFAOYSA-N 1 2 263.724 3.914 20 30 CHEDLO N#C[C@@H]1[N@H+](CC2CCCCCC2)CCC[C@]12CCCCO2 ZINC000447907564 1124542621 /nfs/dbraw/zinc/54/26/21/1124542621.db2.gz SGNISIMPZZQDQF-ZWKOTPCHSA-N 1 2 290.451 3.884 20 30 CHEDLO N#C[C@@H]1[N@@H+](CC2CCCCCC2)CCC[C@]12CCCCO2 ZINC000447907564 1124542629 /nfs/dbraw/zinc/54/26/29/1124542629.db2.gz SGNISIMPZZQDQF-ZWKOTPCHSA-N 1 2 290.451 3.884 20 30 CHEDLO N#C[C@@H]1[N@H+](CC2CCCCCC2)CCC[C@@]12CCCCO2 ZINC000447907563 1124543492 /nfs/dbraw/zinc/54/34/92/1124543492.db2.gz SGNISIMPZZQDQF-ROUUACIJSA-N 1 2 290.451 3.884 20 30 CHEDLO N#C[C@@H]1[N@@H+](CC2CCCCCC2)CCC[C@@]12CCCCO2 ZINC000447907563 1124543498 /nfs/dbraw/zinc/54/34/98/1124543498.db2.gz SGNISIMPZZQDQF-ROUUACIJSA-N 1 2 290.451 3.884 20 30 CHEDLO C=CCCCC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000449239997 1124679499 /nfs/dbraw/zinc/67/94/99/1124679499.db2.gz XJDPHCJRWRRSDG-GOEBONIOSA-N 1 2 284.407 3.619 20 30 CHEDLO Cc1cn2c(cccc2/C=C/c2ccc(C#N)cc2)[nH+]1 ZINC001239291796 1131311937 /nfs/dbraw/zinc/31/19/37/1131311937.db2.gz PYVOWXQCQITEID-MDZDMXLPSA-N 1 2 259.312 3.685 20 30 CHEDLO Cc1cc(/C=C/c2ccc(C#N)cc2)c2[nH+]ccn2c1 ZINC001239297266 1131312595 /nfs/dbraw/zinc/31/25/95/1131312595.db2.gz NHICIFHAFGFBMY-VOTSOKGWSA-N 1 2 259.312 3.685 20 30 CHEDLO COc1cccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c1 ZINC000125221943 1124871061 /nfs/dbraw/zinc/87/10/61/1124871061.db2.gz FNXQZSQGLBVNCE-CMDGGOBGSA-N 1 2 292.338 3.547 20 30 CHEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cnc2Cl)s1 ZINC000876685279 1124970822 /nfs/dbraw/zinc/97/08/22/1124970822.db2.gz BPXZPEIPTKWYRS-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cnc2Cl)s1 ZINC000876685279 1124970828 /nfs/dbraw/zinc/97/08/28/1124970828.db2.gz BPXZPEIPTKWYRS-UHFFFAOYSA-N 1 2 291.807 3.609 20 30 CHEDLO Cc1cc(C)cc(CC[N@H+](CCC#N)Cc2ccccn2)c1 ZINC000876691483 1124971113 /nfs/dbraw/zinc/97/11/13/1124971113.db2.gz KZNDPXIZEGACKU-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO Cc1cc(C)cc(CC[N@@H+](CCC#N)Cc2ccccn2)c1 ZINC000876691483 1124971121 /nfs/dbraw/zinc/97/11/21/1124971121.db2.gz KZNDPXIZEGACKU-UHFFFAOYSA-N 1 2 293.414 3.657 20 30 CHEDLO CC[N@@H+](Cc1ccc2ccc(Cl)cc2n1)C[C@H](C)C#N ZINC000878020738 1125113762 /nfs/dbraw/zinc/11/37/62/1125113762.db2.gz PRIXIYPSRCOCPF-GFCCVEGCSA-N 1 2 287.794 3.870 20 30 CHEDLO CC[N@H+](Cc1ccc2ccc(Cl)cc2n1)C[C@H](C)C#N ZINC000878020738 1125113766 /nfs/dbraw/zinc/11/37/66/1125113766.db2.gz PRIXIYPSRCOCPF-GFCCVEGCSA-N 1 2 287.794 3.870 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1C ZINC000133158939 1125434029 /nfs/dbraw/zinc/43/40/29/1125434029.db2.gz XFXNNPVLCAUSPU-CMDGGOBGSA-N 1 2 276.339 3.847 20 30 CHEDLO C=CCCC[C@@H](C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000638837808 1129272048 /nfs/dbraw/zinc/27/20/48/1129272048.db2.gz XPXQCXXRQBHKCM-HIFRSBDPSA-N 1 2 276.428 3.761 20 30 CHEDLO C#CCOc1ccccc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000734145362 1129297074 /nfs/dbraw/zinc/29/70/74/1129297074.db2.gz NVYADKLQRXAYNE-UHFFFAOYSA-N 1 2 295.386 3.533 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(O)c(C)c3)c[nH+]c12 ZINC000741468295 1129436715 /nfs/dbraw/zinc/43/67/15/1129436715.db2.gz VKXRHZZHHFMGDM-SOFGYWHQSA-N 1 2 292.338 3.553 20 30 CHEDLO Cc1ccc([C@H](C)C/[NH+]=C/c2ccccc2O)cc1 ZINC000737440552 1129447254 /nfs/dbraw/zinc/44/72/54/1129447254.db2.gz LWHBTTOFHREMLT-CRRKTRLDSA-N 1 2 253.345 3.923 20 30 CHEDLO Cc1ccc([C@@H](C)C/[NH+]=C\c2cccc(O)c2O)cc1 ZINC000737440053 1129447789 /nfs/dbraw/zinc/44/77/89/1129447789.db2.gz ASKIFHOLCFPTQC-FHNWIRHTSA-N 1 2 269.344 3.629 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccsc1 ZINC000737443100 1129448101 /nfs/dbraw/zinc/44/81/01/1129448101.db2.gz FYXHTIVTYDTGQM-IHWYPQMZSA-N 1 2 288.759 3.945 20 30 CHEDLO CCCCCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000741740247 1129449797 /nfs/dbraw/zinc/44/97/97/1129449797.db2.gz OQRMYWKEVZFRIP-UHFFFAOYSA-N 1 2 259.353 3.633 20 30 CHEDLO CCOc1ccc(O)c(/C=[NH+]\CC(C2CC2)C2CC2)c1 ZINC000743044142 1129511993 /nfs/dbraw/zinc/51/19/93/1129511993.db2.gz FVWVNHQLBWODHW-ZDLGFXPLSA-N 1 2 273.376 3.646 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000746115354 1129627262 /nfs/dbraw/zinc/62/72/62/1129627262.db2.gz RLSCEVWLNKZCRV-UHFFFAOYSA-N 1 2 254.160 3.591 20 30 CHEDLO C#CC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000746115354 1129627265 /nfs/dbraw/zinc/62/72/65/1129627265.db2.gz RLSCEVWLNKZCRV-UHFFFAOYSA-N 1 2 254.160 3.591 20 30 CHEDLO C#Cc1cccc(-c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001241921398 1129638089 /nfs/dbraw/zinc/63/80/89/1129638089.db2.gz BCJYDXRJIZOKEZ-UHFFFAOYSA-N 1 2 258.324 3.735 20 30 CHEDLO N#CC1(c2cc[nH+]c(N[C@H](C3CCC3)C(F)(F)F)c2)CC1 ZINC001169287878 1129715679 /nfs/dbraw/zinc/71/56/79/1129715679.db2.gz VWZHOTMDHMEGEX-CYBMUJFWSA-N 1 2 295.308 3.780 20 30 CHEDLO C#C[C@@H](C)[N@H+](C)Cn1c2ccc(Cl)cc2oc1=S ZINC000766666597 1129722936 /nfs/dbraw/zinc/72/29/36/1129722936.db2.gz XFBHBXWQIAHFRS-SECBINFHSA-N 1 2 280.780 3.528 20 30 CHEDLO CC#CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001169645086 1129743436 /nfs/dbraw/zinc/74/34/36/1129743436.db2.gz UMIDZVQNPJWQAQ-AWEZNQCLSA-N 1 2 285.284 3.599 20 30 CHEDLO CC#CC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001169645086 1129743439 /nfs/dbraw/zinc/74/34/39/1129743439.db2.gz UMIDZVQNPJWQAQ-AWEZNQCLSA-N 1 2 285.284 3.599 20 30 CHEDLO COc1c[nH+]c(NC23CCC(C#N)(CC2)CC3)c2[nH]ccc21 ZINC001169746803 1129751886 /nfs/dbraw/zinc/75/18/86/1129751886.db2.gz OYWPKHCJJIGCOW-UHFFFAOYSA-N 1 2 296.374 3.600 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(Cl)n1 ZINC000828746157 1131396815 /nfs/dbraw/zinc/39/68/15/1131396815.db2.gz ZJUQWUPCEDMEDL-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(Cl)n1 ZINC000828746157 1131396819 /nfs/dbraw/zinc/39/68/19/1131396819.db2.gz ZJUQWUPCEDMEDL-UHFFFAOYSA-N 1 2 282.796 3.620 20 30 CHEDLO Oc1ccc(/C=[NH+]\CCC2=CCCCCC2)c(O)c1O ZINC000767338716 1129785749 /nfs/dbraw/zinc/78/57/49/1129785749.db2.gz QTYMWPGVTJMQPU-BOPFTXTBSA-N 1 2 275.348 3.503 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)CCC1 ZINC001136624776 1131397715 /nfs/dbraw/zinc/39/77/15/1131397715.db2.gz JCPUZMUHZITCQZ-UHFFFAOYSA-N 1 2 295.386 3.866 20 30 CHEDLO Cc1cc(CNc2ccc3c(c2)CCC[N@H+]3C)ccc1C#N ZINC000767688462 1129808039 /nfs/dbraw/zinc/80/80/39/1129808039.db2.gz YXBDCYZGDVCABD-UHFFFAOYSA-N 1 2 291.398 3.861 20 30 CHEDLO Cc1cc(CNc2ccc3c(c2)CCC[N@@H+]3C)ccc1C#N ZINC000767688462 1129808043 /nfs/dbraw/zinc/80/80/43/1129808043.db2.gz YXBDCYZGDVCABD-UHFFFAOYSA-N 1 2 291.398 3.861 20 30 CHEDLO C=C(Cl)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000767791826 1129815358 /nfs/dbraw/zinc/81/53/58/1129815358.db2.gz DGPIUJSZIBBCHD-UHFFFAOYSA-N 1 2 294.609 3.540 20 30 CHEDLO C=C(Cl)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000767791826 1129815365 /nfs/dbraw/zinc/81/53/65/1129815365.db2.gz DGPIUJSZIBBCHD-UHFFFAOYSA-N 1 2 294.609 3.540 20 30 CHEDLO CC(C)[N@H+](Cc1coc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000768333496 1129851314 /nfs/dbraw/zinc/85/13/14/1129851314.db2.gz AFSDFGNFEDEFAH-UHFFFAOYSA-N 1 2 295.386 3.834 20 30 CHEDLO CC(C)[N@@H+](Cc1coc(C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000768333496 1129851321 /nfs/dbraw/zinc/85/13/21/1129851321.db2.gz AFSDFGNFEDEFAH-UHFFFAOYSA-N 1 2 295.386 3.834 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000768428231 1129857171 /nfs/dbraw/zinc/85/71/71/1129857171.db2.gz FNAWXXOTIIZTMT-QGZVFWFLSA-N 1 2 298.386 3.885 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000768428231 1129857176 /nfs/dbraw/zinc/85/71/76/1129857176.db2.gz FNAWXXOTIIZTMT-QGZVFWFLSA-N 1 2 298.386 3.885 20 30 CHEDLO COc1cccc(/C=[NH+]/CCc2cccc3[nH]ccc32)c1O ZINC000800722218 1129885806 /nfs/dbraw/zinc/88/58/06/1129885806.db2.gz ZUJVQZAXLPEEHD-XDHOZWIPSA-N 1 2 294.354 3.544 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CCc1cccc2[nH]ccc21 ZINC000800721085 1129886199 /nfs/dbraw/zinc/88/61/99/1129886199.db2.gz JMAADVGRKORLLL-PDGQHHTCSA-N 1 2 264.328 3.535 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]/CCCc2cccs2)c1 ZINC000769549008 1129917359 /nfs/dbraw/zinc/91/73/59/1129917359.db2.gz LOAZBZAPUPXWRY-LFIBNONCSA-N 1 2 275.373 3.514 20 30 CHEDLO Cc1ccsc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000769610463 1129919124 /nfs/dbraw/zinc/91/91/24/1129919124.db2.gz QMUDAKGAYWOTNT-AATRIKPKSA-N 1 2 268.341 3.600 20 30 CHEDLO CCOc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901427549 1129924025 /nfs/dbraw/zinc/92/40/25/1129924025.db2.gz MOYDLJFESLSKPJ-JXMROGBWSA-N 1 2 284.359 3.759 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)c(C)cc1C ZINC000901430437 1129924061 /nfs/dbraw/zinc/92/40/61/1129924061.db2.gz KPFVKICKTFUULP-VOTSOKGWSA-N 1 2 268.360 3.724 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\CCc2cc(SC)ccc2C1=O ZINC000901467701 1129927625 /nfs/dbraw/zinc/92/76/25/1129927625.db2.gz UIRNDZAWPHJNGP-MDWZMJQESA-N 1 2 298.411 3.837 20 30 CHEDLO Cc1cc(C)cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901473521 1129928063 /nfs/dbraw/zinc/92/80/63/1129928063.db2.gz HJHCEUSJGRPRPM-WAYWQWQTSA-N 1 2 268.360 3.977 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cc2c(s1)CCC2 ZINC000901486283 1129929678 /nfs/dbraw/zinc/92/96/78/1129929678.db2.gz ZOSXTTBNWGREGC-VOTSOKGWSA-N 1 2 286.400 3.910 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\C[C@@H](C)c2ccccc2C1=O ZINC000901486662 1129929728 /nfs/dbraw/zinc/92/97/28/1129929728.db2.gz PBFVDUQETNJYAW-AUWXEVLLSA-N 1 2 266.344 3.677 20 30 CHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C)CC2 ZINC000901488914 1129930039 /nfs/dbraw/zinc/93/00/39/1129930039.db2.gz KBYNEMMVVYPQJC-NVNXTCNLSA-N 1 2 280.371 3.756 20 30 CHEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cccc(C(C)C)c1 ZINC000901543034 1129935145 /nfs/dbraw/zinc/93/51/45/1129935145.db2.gz JVZMCFRKBQOEFZ-HJWRWDBZSA-N 1 2 268.360 3.923 20 30 CHEDLO C=C(Br)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000771463028 1129981128 /nfs/dbraw/zinc/98/11/28/1129981128.db2.gz NLDYZTJXFQQHFE-SNVBAGLBSA-N 1 2 266.182 3.514 20 30 CHEDLO C=C(Br)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000771463028 1129981131 /nfs/dbraw/zinc/98/11/31/1129981131.db2.gz NLDYZTJXFQQHFE-SNVBAGLBSA-N 1 2 266.182 3.514 20 30 CHEDLO CCC(CC)[C@H](CC/[NH+]=C/c1cccc(OC)c1O)OC ZINC000746521501 1130001667 /nfs/dbraw/zinc/00/16/67/1130001667.db2.gz IRGIRVTXIILKNW-BRFSQIRFSA-N 1 2 293.407 3.661 20 30 CHEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C(F)(F)F)cn1 ZINC000903108621 1130114429 /nfs/dbraw/zinc/11/44/29/1130114429.db2.gz FOINUQZZVSIAON-NSHDSACASA-N 1 2 297.324 3.835 20 30 CHEDLO COc1ccc2c(c1Cl)[C@@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903218357 1130132447 /nfs/dbraw/zinc/13/24/47/1130132447.db2.gz BKKLBOJOBMKYBZ-LBPRGKRZSA-N 1 2 290.794 3.619 20 30 CHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1csc(Cl)c1 ZINC000903264823 1130139244 /nfs/dbraw/zinc/13/92/44/1130139244.db2.gz WGWCRRRLRJMFAX-ZETCQYMHSA-N 1 2 283.809 3.580 20 30 CHEDLO Cc1cc2[nH]ccc2c(-c2cc(F)c(C#N)c(F)c2)[nH+]1 ZINC001239918297 1130152795 /nfs/dbraw/zinc/15/27/95/1130152795.db2.gz AVOYIBYTRPQIIW-UHFFFAOYSA-N 1 2 269.254 3.688 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788320519 1130182748 /nfs/dbraw/zinc/18/27/48/1130182748.db2.gz OHTDMBUKJLIUJF-RZKQZQCBSA-N 1 2 294.398 3.728 20 30 CHEDLO N#Cc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1F ZINC001240162511 1130227683 /nfs/dbraw/zinc/22/76/83/1130227683.db2.gz NUOJBGPRRVHNPB-UHFFFAOYSA-N 1 2 281.265 3.689 20 30 CHEDLO CC(C)Oc1ccc(C(=O)/C=C\c2[nH]cc[nH+]2)cc1Cl ZINC000789157956 1130234199 /nfs/dbraw/zinc/23/41/99/1130234199.db2.gz RZNYVOQXBJLWBH-XQRVVYSFSA-N 1 2 290.750 3.746 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219076 1130237081 /nfs/dbraw/zinc/23/70/81/1130237081.db2.gz XUJBJQQPKZWZEC-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C\c1c[nH+]c3cccc(C)n13)C2=O ZINC000748999375 1130259173 /nfs/dbraw/zinc/25/91/73/1130259173.db2.gz WVISAADVRBNJFN-XNTDXEJSSA-N 1 2 288.350 3.774 20 30 CHEDLO Cc1cc2cc(C(=O)/C=C/c3[nH]cc[nH+]3)oc2cc1C ZINC000749132372 1130267052 /nfs/dbraw/zinc/26/70/52/1130267052.db2.gz MLCWYXBUJUPLHW-ONEGZZNKSA-N 1 2 266.300 3.669 20 30 CHEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359217 1130484445 /nfs/dbraw/zinc/48/44/45/1130484445.db2.gz QVLHPRXAPJUVLU-JLAWEPINSA-N 1 2 295.430 3.918 20 30 CHEDLO Cc1cn2c(cccc2-c2cccc(Cl)c2C#N)[nH+]1 ZINC001244723645 1130609042 /nfs/dbraw/zinc/60/90/42/1130609042.db2.gz FIABOLJGXIUJQM-UHFFFAOYSA-N 1 2 267.719 3.835 20 30 CHEDLO C=CC[N@@H+](Cc1ccnc(Cl)c1Cl)C1CC1 ZINC000811490502 1130613547 /nfs/dbraw/zinc/61/35/47/1130613547.db2.gz SBAKBUNRUWJKCX-UHFFFAOYSA-N 1 2 257.164 3.539 20 30 CHEDLO C=CC[N@H+](Cc1ccnc(Cl)c1Cl)C1CC1 ZINC000811490502 1130613549 /nfs/dbraw/zinc/61/35/49/1130613549.db2.gz SBAKBUNRUWJKCX-UHFFFAOYSA-N 1 2 257.164 3.539 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)cc1 ZINC000811516097 1130616097 /nfs/dbraw/zinc/61/60/97/1130616097.db2.gz FFKDZQXIKJHFNH-OAHLLOKOSA-N 1 2 299.757 3.533 20 30 CHEDLO C=CCCCCCCC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000811624952 1130624507 /nfs/dbraw/zinc/62/45/07/1130624507.db2.gz XRPZJJZBNQALHX-PDGQHHTCSA-N 1 2 290.407 3.533 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(Cl)nc3)n21 ZINC000759081494 1130635170 /nfs/dbraw/zinc/63/51/70/1130635170.db2.gz HMKCTRVXFJQACJ-VOTSOKGWSA-N 1 2 297.745 3.587 20 30 CHEDLO C#C[C@@H](Oc1ccc(C(=[NH2+])OCC)cc1)c1ccccc1 ZINC001234588910 1130659833 /nfs/dbraw/zinc/65/98/33/1130659833.db2.gz TZSABPKPSKQQOO-QGZVFWFLSA-N 1 2 279.339 3.802 20 30 CHEDLO CC#CC[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771048 1130674004 /nfs/dbraw/zinc/67/40/04/1130674004.db2.gz AMGNHKKTLOUTPP-CQSZACIVSA-N 1 2 293.842 3.661 20 30 CHEDLO CC#CC[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771048 1130674006 /nfs/dbraw/zinc/67/40/06/1130674006.db2.gz AMGNHKKTLOUTPP-CQSZACIVSA-N 1 2 293.842 3.661 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC000781327424 1130715575 /nfs/dbraw/zinc/71/55/75/1130715575.db2.gz GMGZAZAUPMIFCT-SNVBAGLBSA-N 1 2 288.338 3.890 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC000781327424 1130715580 /nfs/dbraw/zinc/71/55/80/1130715580.db2.gz GMGZAZAUPMIFCT-SNVBAGLBSA-N 1 2 288.338 3.890 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)cc(Cl)cc2Cl)C1 ZINC001235749561 1130777457 /nfs/dbraw/zinc/77/74/57/1130777457.db2.gz GXYDCOLXWZXJDO-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)cc(Cl)cc2Cl)C1 ZINC001235749561 1130777461 /nfs/dbraw/zinc/77/74/61/1130777461.db2.gz GXYDCOLXWZXJDO-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO N#Cc1cc(-c2cc[nH+]c(N3CCCCC3)c2)ccc1F ZINC001235894237 1130795650 /nfs/dbraw/zinc/79/56/50/1130795650.db2.gz UTXLBRLHKXTVEJ-UHFFFAOYSA-N 1 2 281.334 3.750 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1cccc(N)c1 ZINC001170727825 1130827571 /nfs/dbraw/zinc/82/75/71/1130827571.db2.gz NCPHHVGDENPMFQ-ZDUSSCGKSA-N 1 2 267.376 3.874 20 30 CHEDLO C#Cc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000783567265 1130838781 /nfs/dbraw/zinc/83/87/81/1130838781.db2.gz WLJUMAMTXVXUOO-UHFFFAOYSA-N 1 2 287.366 3.525 20 30 CHEDLO CCCCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000784357908 1130901232 /nfs/dbraw/zinc/90/12/32/1130901232.db2.gz NKMZDXOSAGXSSP-INIZCTEOSA-N 1 2 286.423 3.844 20 30 CHEDLO C[Si](C)(C)C#Cc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236313769 1130912018 /nfs/dbraw/zinc/91/20/18/1130912018.db2.gz XBUXXIMGKRSYMK-UHFFFAOYSA-N 1 2 266.420 3.560 20 30 CHEDLO C=CCC[C@@H](C(=O)OCCCn1cc[nH+]c1)c1ccccc1 ZINC000784826752 1130918610 /nfs/dbraw/zinc/91/86/10/1130918610.db2.gz XCNXDKOMJZGFOP-QGZVFWFLSA-N 1 2 298.386 3.566 20 30 CHEDLO Cc1ccc2c(c1)S/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000798232576 1131030811 /nfs/dbraw/zinc/03/08/11/1131030811.db2.gz XPIDLPSKACIZEY-XNTDXEJSSA-N 1 2 292.363 3.972 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc(C)c(F)cc1Br ZINC001237509133 1131107921 /nfs/dbraw/zinc/10/79/21/1131107921.db2.gz QPROPAXGABJYOD-UHFFFAOYSA-N 1 2 272.161 3.514 20 30 CHEDLO C=CC[N@H+](C)Cc1cc(C)c(F)cc1Br ZINC001237509133 1131107922 /nfs/dbraw/zinc/10/79/22/1131107922.db2.gz QPROPAXGABJYOD-UHFFFAOYSA-N 1 2 272.161 3.514 20 30 CHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(F)cc1F ZINC001237526197 1131110833 /nfs/dbraw/zinc/11/08/33/1131110833.db2.gz MIIQAGZAMSFZOV-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c(F)cc1F ZINC001237526197 1131110836 /nfs/dbraw/zinc/11/08/36/1131110836.db2.gz MIIQAGZAMSFZOV-KRWDZBQOSA-N 1 2 299.324 3.569 20 30 CHEDLO CC1(C)C[NH+](Cc2cc(Cl)cc(C#N)c2)CC(C)(C)O1 ZINC001237751938 1131137345 /nfs/dbraw/zinc/13/73/45/1131137345.db2.gz AQZWLWPBTSNYHN-UHFFFAOYSA-N 1 2 292.810 3.601 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(OCC2CCCCC2)c1 ZINC001238064717 1131166256 /nfs/dbraw/zinc/16/62/56/1131166256.db2.gz ARVHAHGEUATSTE-UHFFFAOYSA-N 1 2 286.419 3.991 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(OCC2CCCCC2)c1 ZINC001238064717 1131166259 /nfs/dbraw/zinc/16/62/59/1131166259.db2.gz ARVHAHGEUATSTE-UHFFFAOYSA-N 1 2 286.419 3.991 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCCC1(O)CCC1 ZINC000817707812 1131177182 /nfs/dbraw/zinc/17/71/82/1131177182.db2.gz ODUQCDFYRZCXCS-CPNJWEJPSA-N 1 2 283.371 3.660 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(Cl)c(C#N)c1 ZINC001238190199 1131177426 /nfs/dbraw/zinc/17/74/26/1131177426.db2.gz AXIXOXWHOADJJB-UHFFFAOYSA-N 1 2 275.783 3.727 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Cl)c(C#N)c1 ZINC001238190199 1131177429 /nfs/dbraw/zinc/17/74/29/1131177429.db2.gz AXIXOXWHOADJJB-UHFFFAOYSA-N 1 2 275.783 3.727 20 30 CHEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189801 1131177701 /nfs/dbraw/zinc/17/77/01/1131177701.db2.gz WTHJVDYQCHDYQH-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189801 1131177705 /nfs/dbraw/zinc/17/77/05/1131177705.db2.gz WTHJVDYQCHDYQH-AWEZNQCLSA-N 1 2 266.747 3.536 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1C ZINC001117391840 1131187526 /nfs/dbraw/zinc/18/75/26/1131187526.db2.gz MWBYPOGMUFIUGI-KTKRTIGZSA-N 1 2 280.371 3.661 20 30 CHEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)c(F)cc1Cl ZINC001238299366 1131188730 /nfs/dbraw/zinc/18/87/30/1131188730.db2.gz MRHVXSUQEVISHV-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cccc(OC(C)C)c1F ZINC001238426907 1131198880 /nfs/dbraw/zinc/19/88/80/1131198880.db2.gz KZOORJYDPUHXIZ-UHFFFAOYSA-N 1 2 263.356 3.787 20 30 CHEDLO C=CC[N@H+](Cc1cccnc1Br)C(C)(C)C ZINC001137802462 1131417574 /nfs/dbraw/zinc/41/75/74/1131417574.db2.gz ZZAAUJKKDRDRDP-UHFFFAOYSA-N 1 2 283.213 3.631 20 30 CHEDLO C=CC[N@@H+](Cc1cccnc1Br)C(C)(C)C ZINC001137802462 1131417575 /nfs/dbraw/zinc/41/75/75/1131417575.db2.gz ZZAAUJKKDRDRDP-UHFFFAOYSA-N 1 2 283.213 3.631 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1F ZINC001137941223 1131439825 /nfs/dbraw/zinc/43/98/25/1131439825.db2.gz GZYKBJZXDMBJIB-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1F ZINC001137941223 1131439827 /nfs/dbraw/zinc/43/98/27/1131439827.db2.gz GZYKBJZXDMBJIB-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO CC[N@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC001139649686 1131627135 /nfs/dbraw/zinc/62/71/35/1131627135.db2.gz YUHSOVVLDFKEPB-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC001139649686 1131627137 /nfs/dbraw/zinc/62/71/37/1131627137.db2.gz YUHSOVVLDFKEPB-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO C=CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000845520521 1131639818 /nfs/dbraw/zinc/63/98/18/1131639818.db2.gz ALEFBUZNDRQQAV-ZBFHGGJFSA-N 1 2 284.359 3.695 20 30 CHEDLO Cc1cc(NCc2ccc(C#N)cc2F)ccc1[NH+](C)C ZINC000772926146 1131642981 /nfs/dbraw/zinc/64/29/81/1131642981.db2.gz BLEAZMVQZNRXHD-UHFFFAOYSA-N 1 2 283.350 3.684 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891666 1131647311 /nfs/dbraw/zinc/64/73/11/1131647311.db2.gz DZOZCYJGJVATTO-ZDUSSCGKSA-N 1 2 268.335 3.714 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891666 1131647312 /nfs/dbraw/zinc/64/73/12/1131647312.db2.gz DZOZCYJGJVATTO-ZDUSSCGKSA-N 1 2 268.335 3.714 20 30 CHEDLO C#CC[N@@H+](Cc1cc(O)ccc1F)[C@@H]1CCc2ccccc21 ZINC001140048988 1131658433 /nfs/dbraw/zinc/65/84/33/1131658433.db2.gz TZTYWHJDVGESEO-LJQANCHMSA-N 1 2 295.357 3.654 20 30 CHEDLO C#CC[N@H+](Cc1cc(O)ccc1F)[C@@H]1CCc2ccccc21 ZINC001140048988 1131658436 /nfs/dbraw/zinc/65/84/36/1131658436.db2.gz TZTYWHJDVGESEO-LJQANCHMSA-N 1 2 295.357 3.654 20 30 CHEDLO Cc1[nH]c2ccc(O[C@@H](CC#N)c3ccccc3)cc2[nH+]1 ZINC001228329623 1131860140 /nfs/dbraw/zinc/86/01/40/1131860140.db2.gz PVFDKIKUYOJQJN-KRWDZBQOSA-N 1 2 277.327 3.905 20 30 CHEDLO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1F ZINC001140754205 1131907378 /nfs/dbraw/zinc/90/73/78/1131907378.db2.gz QIFWHZTUTQLVCE-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1F ZINC001140754205 1131907384 /nfs/dbraw/zinc/90/73/84/1131907384.db2.gz QIFWHZTUTQLVCE-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C=CCOc1ccccc1[C@@H](C)Nc1c[nH+]ccc1OC ZINC001171374158 1131930036 /nfs/dbraw/zinc/93/00/36/1131930036.db2.gz OAVWUKDYQWPGNG-CYBMUJFWSA-N 1 2 284.359 3.828 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1cccc2ncoc21 ZINC001171453112 1132032052 /nfs/dbraw/zinc/03/20/52/1132032052.db2.gz PCIHPYHKPNGSQK-UHFFFAOYSA-N 1 2 279.343 3.872 20 30 CHEDLO CCC(C#N)(CC)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171921240 1132108753 /nfs/dbraw/zinc/10/87/53/1132108753.db2.gz HZXDVSSTTGTHII-UHFFFAOYSA-N 1 2 294.439 3.559 20 30 CHEDLO C=CC[N@H+](Cc1cccc(O)c1Br)C(C)C ZINC000838795008 1132147645 /nfs/dbraw/zinc/14/76/45/1132147645.db2.gz WZRMYJODVXPFQX-UHFFFAOYSA-N 1 2 284.197 3.551 20 30 CHEDLO C=CC[N@@H+](Cc1cccc(O)c1Br)C(C)C ZINC000838795008 1132147649 /nfs/dbraw/zinc/14/76/49/1132147649.db2.gz WZRMYJODVXPFQX-UHFFFAOYSA-N 1 2 284.197 3.551 20 30 CHEDLO CC#CC[C@@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083065 1132252790 /nfs/dbraw/zinc/25/27/90/1132252790.db2.gz BPTAJCOQTQUUTO-OAHLLOKOSA-N 1 2 268.360 3.658 20 30 CHEDLO C=CC[N@H+](Cc1csc(C(F)(F)F)n1)C(C)(C)C ZINC001141886358 1132263381 /nfs/dbraw/zinc/26/33/81/1132263381.db2.gz XLRSLJVRFDHQKH-UHFFFAOYSA-N 1 2 278.343 3.948 20 30 CHEDLO C=CC[N@@H+](Cc1csc(C(F)(F)F)n1)C(C)(C)C ZINC001141886358 1132263387 /nfs/dbraw/zinc/26/33/87/1132263387.db2.gz XLRSLJVRFDHQKH-UHFFFAOYSA-N 1 2 278.343 3.948 20 30 CHEDLO CC1CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141894693 1132264388 /nfs/dbraw/zinc/26/43/88/1132264388.db2.gz QNRXZNQUTXREEA-UHFFFAOYSA-N 1 2 293.208 3.553 20 30 CHEDLO Cc1csc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212692374 1132372117 /nfs/dbraw/zinc/37/21/17/1132372117.db2.gz PTEXETGWBLYHRI-UHFFFAOYSA-N 1 2 294.383 3.917 20 30 CHEDLO Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001212696970 1132376762 /nfs/dbraw/zinc/37/67/62/1132376762.db2.gz XZXFQKFAMOGWBC-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO N#CCC[N@@H+](Cc1ncccc1C(F)(F)F)C1CCCC1 ZINC001231963781 1132403110 /nfs/dbraw/zinc/40/31/10/1132403110.db2.gz ZGGGEOSUPQMOSE-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#CCC[N@H+](Cc1ncccc1C(F)(F)F)C1CCCC1 ZINC001231963781 1132403113 /nfs/dbraw/zinc/40/31/13/1132403113.db2.gz ZGGGEOSUPQMOSE-UHFFFAOYSA-N 1 2 297.324 3.759 20 30 CHEDLO N#Cc1ccc(F)c(C[NH+]2CC3(C2)CCCCC3)c1F ZINC001143174208 1132512852 /nfs/dbraw/zinc/51/28/52/1132512852.db2.gz NMWOQLWMHJGJBC-UHFFFAOYSA-N 1 2 276.330 3.603 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232886719 1132537817 /nfs/dbraw/zinc/53/78/17/1132537817.db2.gz CAPKDRNZUKTNHX-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232886719 1132537822 /nfs/dbraw/zinc/53/78/22/1132537822.db2.gz CAPKDRNZUKTNHX-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233046900 1132565278 /nfs/dbraw/zinc/56/52/78/1132565278.db2.gz LHJOUPJZSOMBMP-SFHVURJKSA-N 1 2 295.386 3.622 20 30 CHEDLO COc1cccc([C@@H]2CCCC[N@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233046900 1132565282 /nfs/dbraw/zinc/56/52/82/1132565282.db2.gz LHJOUPJZSOMBMP-SFHVURJKSA-N 1 2 295.386 3.622 20 30 CHEDLO C[N@H+](CCC#N)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233205664 1132580549 /nfs/dbraw/zinc/58/05/49/1132580549.db2.gz DNZMEIVQTNTRCV-UHFFFAOYSA-N 1 2 284.334 3.963 20 30 CHEDLO C[N@@H+](CCC#N)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233205664 1132580553 /nfs/dbraw/zinc/58/05/53/1132580553.db2.gz DNZMEIVQTNTRCV-UHFFFAOYSA-N 1 2 284.334 3.963 20 30 CHEDLO C=C(C)CNc1[nH+]cccc1OCc1ccc(F)cc1 ZINC001155662121 1132663592 /nfs/dbraw/zinc/66/35/92/1132663592.db2.gz VZKVQBYUVWTIHR-UHFFFAOYSA-N 1 2 272.323 3.788 20 30 CHEDLO Cc1ccc(Nc2cc(F)c(F)cc2C#N)c(C)[nH+]1 ZINC001203376831 1132690803 /nfs/dbraw/zinc/69/08/03/1132690803.db2.gz TWRXJVVISPUNPF-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO CSc1nc(N[C@@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC001156871441 1132712632 /nfs/dbraw/zinc/71/26/32/1132712632.db2.gz FPRNOGHFNAANOY-NSHDSACASA-N 1 2 284.388 3.552 20 30 CHEDLO N#CCCCCNc1[nH+]ccc2cccc(Cl)c21 ZINC001157641223 1132736784 /nfs/dbraw/zinc/73/67/84/1132736784.db2.gz QYSNHLRRKHBGPE-UHFFFAOYSA-N 1 2 259.740 3.994 20 30 CHEDLO Cc1coc(N=C2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001174394359 1132809943 /nfs/dbraw/zinc/80/99/43/1132809943.db2.gz HBWUJTZLKWFEEN-UHFFFAOYSA-N 1 2 293.370 3.661 20 30 CHEDLO Cc1coc(N=C2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001174394359 1132809952 /nfs/dbraw/zinc/80/99/52/1132809952.db2.gz HBWUJTZLKWFEEN-UHFFFAOYSA-N 1 2 293.370 3.661 20 30 CHEDLO CCN(C)c1ccc(Nc2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC001174402275 1132816067 /nfs/dbraw/zinc/81/60/67/1132816067.db2.gz COQUJHSBEPBOJC-UHFFFAOYSA-N 1 2 286.766 3.806 20 30 CHEDLO C=CCCCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001159264026 1132821113 /nfs/dbraw/zinc/82/11/13/1132821113.db2.gz MRIMONXQYRDQTI-UHFFFAOYSA-N 1 2 270.311 3.628 20 30 CHEDLO CSc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001159918822 1132924912 /nfs/dbraw/zinc/92/49/12/1132924912.db2.gz HUIPNUOEFDXWBL-OAHLLOKOSA-N 1 2 281.384 3.775 20 30 CHEDLO C#CCCC1(CCNc2[nH+]c(C)cc(Cl)c2C)N=N1 ZINC001163380167 1133147062 /nfs/dbraw/zinc/14/70/62/1133147062.db2.gz QWNDKVUUDFFXOG-UHFFFAOYSA-N 1 2 276.771 3.729 20 30 CHEDLO CCc1cc(N[C@H](C)c2cccc(C#N)c2)nc(CC)[nH+]1 ZINC001164119730 1133198912 /nfs/dbraw/zinc/19/89/12/1133198912.db2.gz GGHFIKXLVHHEAR-GFCCVEGCSA-N 1 2 280.375 3.646 20 30 CHEDLO C#C[C@H]1CCCN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001167007166 1133298552 /nfs/dbraw/zinc/29/85/52/1133298552.db2.gz TWANUXMBTOAXRH-HNNXBMFYSA-N 1 2 262.356 3.598 20 30 CHEDLO C=CCc1cc(CNc2c[nH+]c(C)c(C)c2)cc(OC)c1O ZINC001203485882 1133332221 /nfs/dbraw/zinc/33/22/21/1133332221.db2.gz QFZIKKUMXAPRSR-UHFFFAOYSA-N 1 2 298.386 3.753 20 30 CHEDLO N#Cc1cncc(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001203712087 1133357344 /nfs/dbraw/zinc/35/73/44/1133357344.db2.gz BTXORNUIZKPEEH-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO Cc1nc(C#N)c(Nc2ccc([NH+]3CCCCC3)cc2)o1 ZINC001203717893 1133358451 /nfs/dbraw/zinc/35/84/51/1133358451.db2.gz ODEOTCQPGPYTNX-UHFFFAOYSA-N 1 2 282.347 3.589 20 30 CHEDLO Cc1ccnc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203719665 1133358650 /nfs/dbraw/zinc/35/86/50/1133358650.db2.gz ZRAAORYCRSZRGY-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001204647716 1133471430 /nfs/dbraw/zinc/47/14/30/1133471430.db2.gz BNACJUMHAKHTIB-HIFRSBDPSA-N 1 2 298.390 3.591 20 30 CHEDLO CCc1cc(C#N)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204978298 1133512155 /nfs/dbraw/zinc/51/21/55/1133512155.db2.gz RXSNAJBAFCKFDD-UHFFFAOYSA-N 1 2 262.316 3.512 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(F)c(F)c1O ZINC001205161926 1133539437 /nfs/dbraw/zinc/53/94/37/1133539437.db2.gz JSJNKYNQLGFJFP-UHFFFAOYSA-N 1 2 295.354 3.920 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(F)c(F)c1O ZINC001205161926 1133539440 /nfs/dbraw/zinc/53/94/40/1133539440.db2.gz JSJNKYNQLGFJFP-UHFFFAOYSA-N 1 2 295.354 3.920 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)CC1CCC(F)(F)CC1 ZINC001207342362 1133793266 /nfs/dbraw/zinc/79/32/66/1133793266.db2.gz HUJPHTQDVDVAEQ-UHFFFAOYSA-N 1 2 293.361 3.623 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)CC1CCC(F)(F)CC1 ZINC001207342362 1133793272 /nfs/dbraw/zinc/79/32/72/1133793272.db2.gz HUJPHTQDVDVAEQ-UHFFFAOYSA-N 1 2 293.361 3.623 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC001207522546 1133814689 /nfs/dbraw/zinc/81/46/89/1133814689.db2.gz JJEDIXFNHIJNPU-SFHVURJKSA-N 1 2 276.383 3.806 20 30 CHEDLO N#C[C@@H]1CCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC001207522546 1133814695 /nfs/dbraw/zinc/81/46/95/1133814695.db2.gz JJEDIXFNHIJNPU-SFHVURJKSA-N 1 2 276.383 3.806 20 30 CHEDLO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@H]1C#N ZINC001208201295 1133906406 /nfs/dbraw/zinc/90/64/06/1133906406.db2.gz CCBHVVVMZLIPNE-CABCVRRESA-N 1 2 266.429 3.596 20 30 CHEDLO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H]1C#N ZINC001208201295 1133906411 /nfs/dbraw/zinc/90/64/11/1133906411.db2.gz CCBHVVVMZLIPNE-CABCVRRESA-N 1 2 266.429 3.596 20 30 CHEDLO C=CCCC[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001209164361 1133982279 /nfs/dbraw/zinc/98/22/79/1133982279.db2.gz XDHBOFSGICEQQZ-HNNXBMFYSA-N 1 2 265.784 3.680 20 30 CHEDLO C=CCCC[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001209164361 1133982283 /nfs/dbraw/zinc/98/22/83/1133982283.db2.gz XDHBOFSGICEQQZ-HNNXBMFYSA-N 1 2 265.784 3.680 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209655283 1134046115 /nfs/dbraw/zinc/04/61/15/1134046115.db2.gz SMNIAQCNAVROOY-NSHDSACASA-N 1 2 273.767 3.557 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209655283 1134046124 /nfs/dbraw/zinc/04/61/24/1134046124.db2.gz SMNIAQCNAVROOY-NSHDSACASA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209726918 1134055551 /nfs/dbraw/zinc/05/55/51/1134055551.db2.gz USSMLZXICNLODS-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209726918 1134055558 /nfs/dbraw/zinc/05/55/58/1134055558.db2.gz USSMLZXICNLODS-OAHLLOKOSA-N 1 2 273.767 3.557 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1[nH+]cccc1N1CCCC1 ZINC001210374922 1134202571 /nfs/dbraw/zinc/20/25/71/1134202571.db2.gz UYYIJWAVHKFRNM-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#Cc1ccccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001210736654 1134286111 /nfs/dbraw/zinc/28/61/11/1134286111.db2.gz RQOVIAFCGJDGPD-UHFFFAOYSA-N 1 2 278.359 3.687 20 30 CHEDLO N#Cc1cc(F)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(F)c1 ZINC001213090000 1134426203 /nfs/dbraw/zinc/42/62/03/1134426203.db2.gz PCJHUQJBDLWFFD-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1cc(C)c(Nc2c(Cl)cccc2C#N)c[nH+]1 ZINC001213516032 1134459171 /nfs/dbraw/zinc/45/91/71/1134459171.db2.gz ZVSQQYSAKWTDTQ-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccc(N)c(C#N)c1 ZINC001213433681 1134448032 /nfs/dbraw/zinc/44/80/32/1134448032.db2.gz KKLOPKBSKJHSMV-UHFFFAOYSA-N 1 2 280.375 3.786 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(F)c(C#N)cc2C)c1C ZINC001213534177 1134462630 /nfs/dbraw/zinc/46/26/30/1134462630.db2.gz QASQWSVOSXZUNG-UHFFFAOYSA-N 1 2 255.296 3.761 20 30 CHEDLO N#Cc1ccc(F)c(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001214593612 1134553942 /nfs/dbraw/zinc/55/39/42/1134553942.db2.gz BJZKNTRJWJCONX-UHFFFAOYSA-N 1 2 286.697 3.742 20 30 CHEDLO C#Cc1cc(Nc2ccc(SC)c(Cl)c2)cc[nH+]1 ZINC001215065701 1134595964 /nfs/dbraw/zinc/59/59/64/1134595964.db2.gz PONRYDCEEYMAGT-UHFFFAOYSA-N 1 2 274.776 3.604 20 30 CHEDLO Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1C#N ZINC001216072062 1134765880 /nfs/dbraw/zinc/76/58/80/1134765880.db2.gz DJUNTVZMMOPMNQ-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO C=CCCCCCCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217855611 1135009992 /nfs/dbraw/zinc/00/99/92/1135009992.db2.gz MTNPFCMWJZEKCE-CYBMUJFWSA-N 1 2 261.356 3.527 20 30 CHEDLO C=C[C@]1(C)CC[C@H](Oc2c(C)cc[nH+]c2C)C(C)(C)O1 ZINC001227265676 1135812217 /nfs/dbraw/zinc/81/22/17/1135812217.db2.gz VTQNDTZSYMZWTR-WMLDXEAASA-N 1 2 275.392 3.980 20 30 CHEDLO CCc1[nH+]c(C)ccc1OCCCOc1cccc(C#N)c1 ZINC000352548820 529730590 /nfs/dbraw/zinc/73/05/90/529730590.db2.gz WKHBQTLFWRXLKG-UHFFFAOYSA-N 1 2 296.370 3.672 20 30 CHEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000354886391 227203222 /nfs/dbraw/zinc/20/32/22/227203222.db2.gz VXJSQLLDMLZQMQ-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)cc1 ZINC000354886391 227203226 /nfs/dbraw/zinc/20/32/26/227203226.db2.gz VXJSQLLDMLZQMQ-BEFAXECRSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1cccc(C#N)c1 ZINC000354887918 227205874 /nfs/dbraw/zinc/20/58/74/227205874.db2.gz XEWDSMKKZMMGNA-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1cccc(C#N)c1 ZINC000354887918 227205877 /nfs/dbraw/zinc/20/58/77/227205877.db2.gz XEWDSMKKZMMGNA-HNAYVOBHSA-N 1 2 292.382 3.520 20 30 CHEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC1 ZINC000329184577 227342823 /nfs/dbraw/zinc/34/28/23/227342823.db2.gz FYNWUXUWACTSAQ-CQSZACIVSA-N 1 2 281.359 3.659 20 30 CHEDLO N#CC1(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)CC1 ZINC000329184577 227342826 /nfs/dbraw/zinc/34/28/26/227342826.db2.gz FYNWUXUWACTSAQ-CQSZACIVSA-N 1 2 281.359 3.659 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131157 228193515 /nfs/dbraw/zinc/19/35/15/228193515.db2.gz LHUSZOMNPGNMAH-DOMZBBRYSA-N 1 2 299.805 3.803 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)C1 ZINC000336131157 228193516 /nfs/dbraw/zinc/19/35/16/228193516.db2.gz LHUSZOMNPGNMAH-DOMZBBRYSA-N 1 2 299.805 3.803 20 30 CHEDLO Cc1ccc(COc2cc(Cl)cc(C#N)c2)c(C)[nH+]1 ZINC000352194670 228195315 /nfs/dbraw/zinc/19/53/15/228195315.db2.gz YQBDARCWZJVUFJ-UHFFFAOYSA-N 1 2 272.735 3.803 20 30 CHEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000037871230 260165209 /nfs/dbraw/zinc/16/52/09/260165209.db2.gz UZKBVDZGWGDRML-BDAKNGLRSA-N 1 2 257.164 3.946 20 30 CHEDLO Cc1ccccc1CCC[N@H+](CCC#N)Cc1ccco1 ZINC000084678383 260366605 /nfs/dbraw/zinc/36/66/05/260366605.db2.gz MKYXFORAXMMKDL-UHFFFAOYSA-N 1 2 282.387 3.937 20 30 CHEDLO Cc1ccccc1CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000084678383 260366606 /nfs/dbraw/zinc/36/66/06/260366606.db2.gz MKYXFORAXMMKDL-UHFFFAOYSA-N 1 2 282.387 3.937 20 30 CHEDLO C=C(C)C[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698616 261106668 /nfs/dbraw/zinc/10/66/68/261106668.db2.gz CRJUQAHLSHIAJA-DOMZBBRYSA-N 1 2 265.784 3.678 20 30 CHEDLO C=C(C)C[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444698616 261106669 /nfs/dbraw/zinc/10/66/69/261106669.db2.gz CRJUQAHLSHIAJA-DOMZBBRYSA-N 1 2 265.784 3.678 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(C(C)(C)C)s1)C1CC1 ZINC000448332586 261117024 /nfs/dbraw/zinc/11/70/24/261117024.db2.gz NCPDNAGLTMWFRV-UHFFFAOYSA-N 1 2 250.411 3.591 20 30 CHEDLO C=CC[N@H+](Cc1ncc(C(C)(C)C)s1)C1CC1 ZINC000448332586 261117025 /nfs/dbraw/zinc/11/70/25/261117025.db2.gz NCPDNAGLTMWFRV-UHFFFAOYSA-N 1 2 250.411 3.591 20 30 CHEDLO Cc1cccc2[nH+]c(CSc3ccccc3C#N)cn21 ZINC000173706396 261168714 /nfs/dbraw/zinc/16/87/14/261168714.db2.gz YTSXPLIIKOAYDD-UHFFFAOYSA-N 1 2 279.368 3.807 20 30 CHEDLO COCCOc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185729678 262068811 /nfs/dbraw/zinc/06/88/11/262068811.db2.gz WZBQAHUZKKOSOS-GJZGRUSLSA-N 1 2 288.391 3.515 20 30 CHEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000193186221 262218061 /nfs/dbraw/zinc/21/80/61/262218061.db2.gz FQNUVPMTSAHRGU-QWHCGFSZSA-N 1 2 284.338 3.506 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000272475496 263004934 /nfs/dbraw/zinc/00/49/34/263004934.db2.gz ALGCLRVVJYUYON-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC2CCC(C#N)CC2)c1O ZINC000281742687 263071596 /nfs/dbraw/zinc/07/15/96/263071596.db2.gz KBGDPCVQDNSFEF-XDHOZWIPSA-N 1 2 286.375 3.540 20 30 CHEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281903405 263072867 /nfs/dbraw/zinc/07/28/67/263072867.db2.gz FXAPXDMYJULGLO-UHFFFAOYSA-N 1 2 272.392 3.613 20 30 CHEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281903405 263072868 /nfs/dbraw/zinc/07/28/68/263072868.db2.gz FXAPXDMYJULGLO-UHFFFAOYSA-N 1 2 272.392 3.613 20 30 CHEDLO CC[N@H+](CCCC1(C#N)CCOCC1)c1cccc(C)c1 ZINC000281966097 263073400 /nfs/dbraw/zinc/07/34/00/263073400.db2.gz KTLMTHJZKVQIMS-UHFFFAOYSA-N 1 2 286.419 3.922 20 30 CHEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)c1cccc(C)c1 ZINC000281966097 263073401 /nfs/dbraw/zinc/07/34/01/263073401.db2.gz KTLMTHJZKVQIMS-UHFFFAOYSA-N 1 2 286.419 3.922 20 30 CHEDLO CCCCc1[nH]c2ccc(NC(=O)[C@@](C)(C#N)CC)cc2[nH+]1 ZINC000285194255 263091165 /nfs/dbraw/zinc/09/11/65/263091165.db2.gz SAXZXHYLSCQBIE-QGZVFWFLSA-N 1 2 298.390 3.784 20 30 CHEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000286936719 263100330 /nfs/dbraw/zinc/10/03/30/263100330.db2.gz LOXSZFDQEAGETO-GXTWGEPZSA-N 1 2 273.405 3.575 20 30 CHEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000286936719 263100331 /nfs/dbraw/zinc/10/03/31/263100331.db2.gz LOXSZFDQEAGETO-GXTWGEPZSA-N 1 2 273.405 3.575 20 30 CHEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000187588152 263262484 /nfs/dbraw/zinc/26/24/84/263262484.db2.gz UOISECMVZGPXIU-BDAKNGLRSA-N 1 2 257.164 3.946 20 30 CHEDLO Cc1csc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000187688846 263265466 /nfs/dbraw/zinc/26/54/66/263265466.db2.gz UGAWFMBWXQXWIP-LBPRGKRZSA-N 1 2 271.389 3.516 20 30 CHEDLO Cc1csc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000187688846 263265467 /nfs/dbraw/zinc/26/54/67/263265467.db2.gz UGAWFMBWXQXWIP-LBPRGKRZSA-N 1 2 271.389 3.516 20 30 CHEDLO C=CCCCCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000120154514 263281615 /nfs/dbraw/zinc/28/16/15/263281615.db2.gz YRZALIQSKLXXFS-UHFFFAOYSA-N 1 2 261.369 3.600 20 30 CHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000341990645 263382008 /nfs/dbraw/zinc/38/20/08/263382008.db2.gz DMYSDYBYVSWMOC-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C=C1CC[NH+](Cc2csc(CCC(C)C)n2)CC1 ZINC000342175749 263392731 /nfs/dbraw/zinc/39/27/31/263392731.db2.gz IQYNAOAXEVSBSZ-UHFFFAOYSA-N 1 2 264.438 3.884 20 30 CHEDLO Cc1cc(C)c(NC(=O)NCCCC(C)C)c(C)[nH+]1 ZINC000331226143 264150730 /nfs/dbraw/zinc/15/07/30/264150730.db2.gz CNOQOQGFMUXYAB-UHFFFAOYSA-N 1 2 263.385 3.769 20 30 CHEDLO Cc1cccc(CCCNc2ccc(Cl)cc2C#N)[nH+]1 ZINC000343255580 264222901 /nfs/dbraw/zinc/22/29/01/264222901.db2.gz XWNCGVUZJFGFLQ-UHFFFAOYSA-N 1 2 285.778 3.960 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1noc(C(C)C)n1)c1ccccc1 ZINC000180041976 264394479 /nfs/dbraw/zinc/39/44/79/264394479.db2.gz PRUHLMWJOAGSPS-HNNXBMFYSA-N 1 2 285.391 3.990 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C(C)C)o1)c1ccccc1 ZINC000180046011 264395073 /nfs/dbraw/zinc/39/50/73/264395073.db2.gz UBIUNMGSSDDKGH-OAHLLOKOSA-N 1 2 285.391 3.990 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294396524 265015576 /nfs/dbraw/zinc/01/55/76/265015576.db2.gz ZVNYZGWCPGCXHQ-GDBMZVCRSA-N 1 2 297.402 3.560 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000356304482 266092939 /nfs/dbraw/zinc/09/29/39/266092939.db2.gz OHBQAKHDRZSJFF-UHFFFAOYSA-N 1 2 292.301 3.595 20 30 CHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000356435216 266113405 /nfs/dbraw/zinc/11/34/05/266113405.db2.gz IRAIVOCFHQUBMZ-HLRDLLSLSA-N 1 2 295.411 3.693 20 30 CHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000356435216 266113409 /nfs/dbraw/zinc/11/34/09/266113409.db2.gz IRAIVOCFHQUBMZ-HLRDLLSLSA-N 1 2 295.411 3.693 20 30 CHEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC000356473474 266120325 /nfs/dbraw/zinc/12/03/25/266120325.db2.gz KEUDSVVOFHVUET-GHMZBOCLSA-N 1 2 252.308 3.507 20 30 CHEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC000356473474 266120329 /nfs/dbraw/zinc/12/03/29/266120329.db2.gz KEUDSVVOFHVUET-GHMZBOCLSA-N 1 2 252.308 3.507 20 30 CHEDLO C=C(C)CN(Cc1ccccc1)c1cc[nH+]c(C2CC2)n1 ZINC000359860693 266647936 /nfs/dbraw/zinc/64/79/36/266647936.db2.gz XGUJLUZYBDJEFF-UHFFFAOYSA-N 1 2 279.387 3.937 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000362522444 267000252 /nfs/dbraw/zinc/00/02/52/267000252.db2.gz XJIPVHGHTQJSGC-JTQLQIEISA-N 1 2 266.747 3.603 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000362522444 267000253 /nfs/dbraw/zinc/00/02/53/267000253.db2.gz XJIPVHGHTQJSGC-JTQLQIEISA-N 1 2 266.747 3.603 20 30 CHEDLO C=CC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000367557752 267099885 /nfs/dbraw/zinc/09/98/85/267099885.db2.gz SZILHPNOTXLOLK-UHFFFAOYSA-N 1 2 290.313 3.770 20 30 CHEDLO C=CC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000367557752 267099887 /nfs/dbraw/zinc/09/98/87/267099887.db2.gz SZILHPNOTXLOLK-UHFFFAOYSA-N 1 2 290.313 3.770 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CCC1 ZINC000418143441 267365780 /nfs/dbraw/zinc/36/57/80/267365780.db2.gz PLVCRXZUJKFHPH-UHFFFAOYSA-N 1 2 282.343 3.855 20 30 CHEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281884813 328506061 /nfs/dbraw/zinc/50/60/61/328506061.db2.gz SJZMMOCNXCKEAF-HUUCEWRRSA-N 1 2 289.423 3.559 20 30 CHEDLO Cc1[nH+]c(C(C)C)ccc1COc1ccc(C#N)cc1 ZINC000558808137 327121515 /nfs/dbraw/zinc/12/15/15/327121515.db2.gz OVAHAHVUZYKLCH-UHFFFAOYSA-N 1 2 266.344 3.964 20 30 CHEDLO CC(C)COc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000518458007 327163806 /nfs/dbraw/zinc/16/38/06/327163806.db2.gz CRIPIHQZKKRZIR-UHFFFAOYSA-N 1 2 295.386 3.795 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000561487449 327399045 /nfs/dbraw/zinc/39/90/45/327399045.db2.gz RSTNRMZAZXSQDG-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000561487449 327399046 /nfs/dbraw/zinc/39/90/46/327399046.db2.gz RSTNRMZAZXSQDG-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccc(OCC)cc3)n2)CC1 ZINC000532607597 328792526 /nfs/dbraw/zinc/79/25/26/328792526.db2.gz LWIVWPUSZBONCE-UHFFFAOYSA-N 1 2 298.386 3.892 20 30 CHEDLO Cc1ccc(CC[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000174042984 329153901 /nfs/dbraw/zinc/15/39/01/329153901.db2.gz JADFOICQDRQEJT-UHFFFAOYSA-N 1 2 268.360 3.546 20 30 CHEDLO Cc1ccc(CC[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000174042984 329153902 /nfs/dbraw/zinc/15/39/02/329153902.db2.gz JADFOICQDRQEJT-UHFFFAOYSA-N 1 2 268.360 3.546 20 30 CHEDLO N#Cc1cc(Cl)ccc1NCCCNc1cccc[nH+]1 ZINC000180409680 329216036 /nfs/dbraw/zinc/21/60/36/329216036.db2.gz GHUHZUHDSAHBDS-UHFFFAOYSA-N 1 2 286.766 3.521 20 30 CHEDLO C=C[C@H](CC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421581808 329843831 /nfs/dbraw/zinc/84/38/31/329843831.db2.gz ZEAMSSOIADQGIT-QGZVFWFLSA-N 1 2 294.398 3.675 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnn1CC ZINC000162788829 330115131 /nfs/dbraw/zinc/11/51/31/330115131.db2.gz HJHBYNJSCILFKX-UHFFFAOYSA-N 1 2 295.839 3.806 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnn1CC ZINC000162788829 330115133 /nfs/dbraw/zinc/11/51/33/330115133.db2.gz HJHBYNJSCILFKX-UHFFFAOYSA-N 1 2 295.839 3.806 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c(C)n[nH]c1C ZINC000162792220 330115591 /nfs/dbraw/zinc/11/55/91/330115591.db2.gz JKALJHAOFMQOSK-UHFFFAOYSA-N 1 2 295.839 3.930 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c(C)n[nH]c1C ZINC000162792220 330115593 /nfs/dbraw/zinc/11/55/93/330115593.db2.gz JKALJHAOFMQOSK-UHFFFAOYSA-N 1 2 295.839 3.930 20 30 CHEDLO N#Cc1ccc2c(c1)[C@H](Nc1ccc3c(c1)CC[NH2+]3)CC2 ZINC000423219818 330179323 /nfs/dbraw/zinc/17/93/23/330179323.db2.gz UOURTPXCVXKFJS-GOSISDBHSA-N 1 2 275.355 3.626 20 30 CHEDLO C[C@H]([NH2+][C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(C#N)cc1F ZINC000424325033 330341180 /nfs/dbraw/zinc/34/11/80/330341180.db2.gz NFSOJHGUKTVGOD-JBBXEZCESA-N 1 2 298.336 3.985 20 30 CHEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000536933633 330366915 /nfs/dbraw/zinc/36/69/15/330366915.db2.gz HARWOQXQTFXVKT-OAHLLOKOSA-N 1 2 297.345 3.628 20 30 CHEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000536933633 330366916 /nfs/dbraw/zinc/36/69/16/330366916.db2.gz HARWOQXQTFXVKT-OAHLLOKOSA-N 1 2 297.345 3.628 20 30 CHEDLO Cc1ccc(NC(=O)c2cccc(SCC#N)c2)c(C)[nH+]1 ZINC000119300181 330371897 /nfs/dbraw/zinc/37/18/97/330371897.db2.gz WVVSOLRFUFYEPY-UHFFFAOYSA-N 1 2 297.383 3.566 20 30 CHEDLO C=CC[NH+](CC=C)Cc1nc2ccc(F)cc2s1 ZINC000432740053 330605036 /nfs/dbraw/zinc/60/50/36/330605036.db2.gz CTYWJHWFHZKSBY-UHFFFAOYSA-N 1 2 262.353 3.609 20 30 CHEDLO N#Cc1ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)s1 ZINC000449558012 330936505 /nfs/dbraw/zinc/93/65/05/330936505.db2.gz UQTPNWXLCCATEC-UHFFFAOYSA-N 1 2 288.803 3.873 20 30 CHEDLO CC(C)n1cc[nH+]c1CNc1ccc(CC#N)cc1Cl ZINC000453129012 331092195 /nfs/dbraw/zinc/09/21/95/331092195.db2.gz MZLIVENVBWHKHD-UHFFFAOYSA-N 1 2 288.782 3.796 20 30 CHEDLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 ZINC000453288960 331111526 /nfs/dbraw/zinc/11/15/26/331111526.db2.gz MBULJEDMPZMACK-GXFFZTMASA-N 1 2 252.308 3.643 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(C2CC2)nc1 ZINC000459316437 331275896 /nfs/dbraw/zinc/27/58/96/331275896.db2.gz YPQJBCINSKCMOO-UHFFFAOYSA-N 1 2 285.416 3.604 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(C2CC2)nc1 ZINC000459316437 331275897 /nfs/dbraw/zinc/27/58/97/331275897.db2.gz YPQJBCINSKCMOO-UHFFFAOYSA-N 1 2 285.416 3.604 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459473627 331283634 /nfs/dbraw/zinc/28/36/34/331283634.db2.gz DJKUIUUNCWCRQQ-SNVBAGLBSA-N 1 2 254.736 3.569 20 30 CHEDLO CC#CCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000462310982 331319070 /nfs/dbraw/zinc/31/90/70/331319070.db2.gz HGYSDMZFYCECQU-UHFFFAOYSA-N 1 2 268.187 3.765 20 30 CHEDLO CC#CCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000462310982 331319071 /nfs/dbraw/zinc/31/90/71/331319071.db2.gz HGYSDMZFYCECQU-UHFFFAOYSA-N 1 2 268.187 3.765 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000468116340 331428878 /nfs/dbraw/zinc/42/88/78/331428878.db2.gz FCYAHXSNDUDNSI-GOSISDBHSA-N 1 2 297.402 3.842 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc([C@H](C)OCC)n1 ZINC000489442073 332052775 /nfs/dbraw/zinc/05/27/75/332052775.db2.gz ACEQQEUQFAADFC-JSGCOSHPSA-N 1 2 280.437 3.781 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc([C@H](C)OCC)n1 ZINC000489442073 332052776 /nfs/dbraw/zinc/05/27/76/332052776.db2.gz ACEQQEUQFAADFC-JSGCOSHPSA-N 1 2 280.437 3.781 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000489504179 332057314 /nfs/dbraw/zinc/05/73/14/332057314.db2.gz ZZNAAQVISDSQJG-LLVKDONJSA-N 1 2 270.298 3.641 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000489504179 332057315 /nfs/dbraw/zinc/05/73/15/332057315.db2.gz ZZNAAQVISDSQJG-LLVKDONJSA-N 1 2 270.298 3.641 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000489514310 332057895 /nfs/dbraw/zinc/05/78/95/332057895.db2.gz QOJSDTABMFOMAU-INIZCTEOSA-N 1 2 297.402 3.509 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000489514310 332057896 /nfs/dbraw/zinc/05/78/96/332057896.db2.gz QOJSDTABMFOMAU-INIZCTEOSA-N 1 2 297.402 3.509 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000491655455 332267676 /nfs/dbraw/zinc/26/76/76/332267676.db2.gz HCQTXTPGQRFARO-INIZCTEOSA-N 1 2 275.273 3.568 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1sccc1OC)c1ccc(Cl)cc1 ZINC000491724158 332308890 /nfs/dbraw/zinc/30/88/90/332308890.db2.gz DOBXHBGDQAMIRA-CYBMUJFWSA-N 1 2 291.803 3.874 20 30 CHEDLO C=C1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000513462350 333021210 /nfs/dbraw/zinc/02/12/10/333021210.db2.gz UYGXDOHCXUFGCO-UHFFFAOYSA-N 1 2 268.360 3.802 20 30 CHEDLO CCOc1ccccc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000177323206 333057362 /nfs/dbraw/zinc/05/73/62/333057362.db2.gz JZFYGVJUWHRQCM-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO CCOc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000177323206 333057363 /nfs/dbraw/zinc/05/73/63/333057363.db2.gz JZFYGVJUWHRQCM-UHFFFAOYSA-N 1 2 298.361 3.728 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1ccco1)c1ccc(F)c(F)c1 ZINC000187369829 333169770 /nfs/dbraw/zinc/16/97/70/333169770.db2.gz RVEGMHSNVFWREQ-OAHLLOKOSA-N 1 2 263.287 3.965 20 30 CHEDLO C[N@H+](CC#Cc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000192166952 333231318 /nfs/dbraw/zinc/23/13/18/333231318.db2.gz NTIVNCHINPZDLI-UHFFFAOYSA-N 1 2 289.300 3.587 20 30 CHEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000192166952 333231319 /nfs/dbraw/zinc/23/13/19/333231319.db2.gz NTIVNCHINPZDLI-UHFFFAOYSA-N 1 2 289.300 3.587 20 30 CHEDLO C=CCOc1ccc(OCc2cc(OC)cc(C)[nH+]2)cc1 ZINC000538754376 333625168 /nfs/dbraw/zinc/62/51/68/333625168.db2.gz LWYBZDAVSZNVBF-UHFFFAOYSA-N 1 2 285.343 3.542 20 30 CHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nc(C(C)(C)C)cs1 ZINC000174365517 335153282 /nfs/dbraw/zinc/15/32/82/335153282.db2.gz SWWYKMHRBJRJRW-SNVBAGLBSA-N 1 2 289.404 3.756 20 30 CHEDLO Cc1nc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cs1 ZINC000135152247 334118010 /nfs/dbraw/zinc/11/80/10/334118010.db2.gz CESSDAXQGSHQHK-UHFFFAOYSA-N 1 2 299.443 3.885 20 30 CHEDLO Cc1nc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cs1 ZINC000135152247 334118011 /nfs/dbraw/zinc/11/80/11/334118011.db2.gz CESSDAXQGSHQHK-UHFFFAOYSA-N 1 2 299.443 3.885 20 30 CHEDLO Cc1cc(C)c(C[N@H+](CC#N)C2CCCC2)c(C)c1 ZINC000080214982 334167483 /nfs/dbraw/zinc/16/74/83/334167483.db2.gz QZKMPTFOCOLABR-UHFFFAOYSA-N 1 2 256.393 3.880 20 30 CHEDLO Cc1cc(C)c(C[N@@H+](CC#N)C2CCCC2)c(C)c1 ZINC000080214982 334167484 /nfs/dbraw/zinc/16/74/84/334167484.db2.gz QZKMPTFOCOLABR-UHFFFAOYSA-N 1 2 256.393 3.880 20 30 CHEDLO N#Cc1ccccc1C[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549415068 334193325 /nfs/dbraw/zinc/19/33/25/334193325.db2.gz UXTMEJLQHYKSKH-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549415068 334193327 /nfs/dbraw/zinc/19/33/27/334193327.db2.gz UXTMEJLQHYKSKH-GOSISDBHSA-N 1 2 298.336 3.768 20 30 CHEDLO N#CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000551428665 334250120 /nfs/dbraw/zinc/25/01/20/334250120.db2.gz WKHXHQBENWLSAC-HUUCEWRRSA-N 1 2 262.784 3.869 20 30 CHEDLO C=CCCC(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000089871203 334352692 /nfs/dbraw/zinc/35/26/92/334352692.db2.gz AOOXXHOSOPJZBO-UHFFFAOYSA-N 1 2 285.391 3.776 20 30 CHEDLO Cc1nsc(Nc2ccc([NH+]3CCCC3)cc2C)c1C#N ZINC000554671216 334445683 /nfs/dbraw/zinc/44/56/83/334445683.db2.gz BCCVHTFGUSJYKF-UHFFFAOYSA-N 1 2 298.415 3.975 20 30 CHEDLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000565459238 334565068 /nfs/dbraw/zinc/56/50/68/334565068.db2.gz QTOBHADOTZSZAF-SNVBAGLBSA-N 1 2 291.807 3.827 20 30 CHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cscn1 ZINC000576293319 335185438 /nfs/dbraw/zinc/18/54/38/335185438.db2.gz QIHZLMKYEAMVNZ-NXEZZACHSA-N 1 2 275.352 3.566 20 30 CHEDLO CC[C@@H](Nc1ccc(C)[nH+]c1)c1ccc(C#N)cc1 ZINC000278610865 522955479 /nfs/dbraw/zinc/95/54/79/522955479.db2.gz FOVIXIQXHSEEGQ-MRXNPFEDSA-N 1 2 251.333 3.825 20 30 CHEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C2CC2)[nH+]1 ZINC000265373485 525292496 /nfs/dbraw/zinc/29/24/96/525292496.db2.gz PDSDRJRUHDINKC-LBPRGKRZSA-N 1 2 278.359 3.707 20 30 CHEDLO C[C@H](c1ccco1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000069067450 526147355 /nfs/dbraw/zinc/14/73/55/526147355.db2.gz DPODWNAAWTZJLD-CYBMUJFWSA-N 1 2 279.343 3.597 20 30 CHEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000069067450 526147363 /nfs/dbraw/zinc/14/73/63/526147363.db2.gz DPODWNAAWTZJLD-CYBMUJFWSA-N 1 2 279.343 3.597 20 30 CHEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000114473032 1125498085 /nfs/dbraw/zinc/49/80/85/1125498085.db2.gz PTWJQIKJRVNVGT-OAHLLOKOSA-N 1 2 296.418 3.710 20 30 CHEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000114473032 1125498087 /nfs/dbraw/zinc/49/80/87/1125498087.db2.gz PTWJQIKJRVNVGT-OAHLLOKOSA-N 1 2 296.418 3.710 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nccs1 ZINC000162731348 1120691631 /nfs/dbraw/zinc/69/16/31/1120691631.db2.gz YHLCMDARUUHLRP-CYBMUJFWSA-N 1 2 291.807 3.909 20 30 CHEDLO C=CC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834882474 1131717044 /nfs/dbraw/zinc/71/70/44/1131717044.db2.gz AXIRRYDOKVWHKL-SECBINFHSA-N 1 2 255.308 3.533 20 30 CHEDLO C[N@@H+](Cc1ccsc1)Cc1cc(C#N)ccc1Cl ZINC001140601540 1131823515 /nfs/dbraw/zinc/82/35/15/1131823515.db2.gz SHBLPQNPZGJVGZ-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO C=CCCCCCCCCN1CC[NH+](C2CC2)CC1 ZINC001209443342 1134023308 /nfs/dbraw/zinc/02/33/08/1134023308.db2.gz QWIDFNHJPPJSAC-UHFFFAOYSA-N 1 2 264.457 3.683 20 30 CHEDLO CC(C)(C#N)CCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918708 1125763001 /nfs/dbraw/zinc/76/30/01/1125763001.db2.gz YBPLILDMFIJRMY-UHFFFAOYSA-N 1 2 296.296 3.780 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(COC)o1 ZINC000093100975 1125764030 /nfs/dbraw/zinc/76/40/30/1125764030.db2.gz XJRIWJZVCCTQRU-UHFFFAOYSA-N 1 2 278.396 3.578 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(COC)o1 ZINC000093100975 1125764033 /nfs/dbraw/zinc/76/40/33/1125764033.db2.gz XJRIWJZVCCTQRU-UHFFFAOYSA-N 1 2 278.396 3.578 20 30 CHEDLO C=C(Br)C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000746656861 1130136190 /nfs/dbraw/zinc/13/61/90/1130136190.db2.gz AQENHGNROAKKKP-CYBMUJFWSA-N 1 2 298.224 3.605 20 30 CHEDLO C=C(Br)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000746656861 1130136192 /nfs/dbraw/zinc/13/61/92/1130136192.db2.gz AQENHGNROAKKKP-CYBMUJFWSA-N 1 2 298.224 3.605 20 30 CHEDLO Cc1cc2[nH]c(C[N@@H+](C[C@H](C)C#N)C3CC3)cc2c(C)c1 ZINC000481989542 1126738298 /nfs/dbraw/zinc/73/82/98/1126738298.db2.gz IYLMDIDSPKCKBM-CYBMUJFWSA-N 1 2 281.403 3.909 20 30 CHEDLO Cc1cc2[nH]c(C[N@H+](C[C@H](C)C#N)C3CC3)cc2c(C)c1 ZINC000481989542 1126738300 /nfs/dbraw/zinc/73/83/00/1126738300.db2.gz IYLMDIDSPKCKBM-CYBMUJFWSA-N 1 2 281.403 3.909 20 30 CHEDLO C=C(Cl)C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000159638346 1126749527 /nfs/dbraw/zinc/74/95/27/1126749527.db2.gz SUYHZRPIEQSSLR-UHFFFAOYSA-N 1 2 250.556 3.836 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000249082137 1126751465 /nfs/dbraw/zinc/75/14/65/1126751465.db2.gz AOMUZRFRJLITNR-SUMWQHHRSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000249082137 1126751469 /nfs/dbraw/zinc/75/14/69/1126751469.db2.gz AOMUZRFRJLITNR-SUMWQHHRSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC000679228569 1126789771 /nfs/dbraw/zinc/78/97/71/1126789771.db2.gz XUNWBVPWJSAJIW-SWLSCSKDSA-N 1 2 299.311 3.737 20 30 CHEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1F ZINC000679228569 1126789774 /nfs/dbraw/zinc/78/97/74/1126789774.db2.gz XUNWBVPWJSAJIW-SWLSCSKDSA-N 1 2 299.311 3.737 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000179456102 1126827959 /nfs/dbraw/zinc/82/79/59/1126827959.db2.gz NTBDPLCLEBMBCG-UHFFFAOYSA-N 1 2 276.428 3.616 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000179456102 1126827960 /nfs/dbraw/zinc/82/79/60/1126827960.db2.gz NTBDPLCLEBMBCG-UHFFFAOYSA-N 1 2 276.428 3.616 20 30 CHEDLO N#CCC[N@@H+](CCCc1cccc(F)c1)Cc1ccccn1 ZINC000182828445 1126878524 /nfs/dbraw/zinc/87/85/24/1126878524.db2.gz XFNNKTMFHYOXQE-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO N#CCC[N@H+](CCCc1cccc(F)c1)Cc1ccccn1 ZINC000182828445 1126878528 /nfs/dbraw/zinc/87/85/28/1126878528.db2.gz XFNNKTMFHYOXQE-UHFFFAOYSA-N 1 2 297.377 3.569 20 30 CHEDLO C=CC[NH+](CC=C)Cc1sc(C)nc1C(F)(F)F ZINC000183568866 1126888257 /nfs/dbraw/zinc/88/82/57/1126888257.db2.gz XXIVCLRQLRHPBQ-UHFFFAOYSA-N 1 2 276.327 3.644 20 30 CHEDLO C[C@@H](CC[N@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000193598319 1126970470 /nfs/dbraw/zinc/97/04/70/1126970470.db2.gz HTABKNWWNWZGRF-KRWDZBQOSA-N 1 2 293.414 3.991 20 30 CHEDLO C[C@@H](CC[N@@H+](CCC#N)Cc1cccnc1)c1ccccc1 ZINC000193598319 1126970473 /nfs/dbraw/zinc/97/04/73/1126970473.db2.gz HTABKNWWNWZGRF-KRWDZBQOSA-N 1 2 293.414 3.991 20 30 CHEDLO N#CCC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000266542052 1126983978 /nfs/dbraw/zinc/98/39/78/1126983978.db2.gz HADCSRHODMHBHM-GOSISDBHSA-N 1 2 262.356 3.700 20 30 CHEDLO N#CCC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000266542052 1126983980 /nfs/dbraw/zinc/98/39/80/1126983980.db2.gz HADCSRHODMHBHM-GOSISDBHSA-N 1 2 262.356 3.700 20 30 CHEDLO CCc1ccc(CC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000266865760 1126988953 /nfs/dbraw/zinc/98/89/53/1126988953.db2.gz MMWZPQJXKCKBEV-UHFFFAOYSA-N 1 2 293.414 3.602 20 30 CHEDLO CCc1ccc(CC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000266865760 1126988956 /nfs/dbraw/zinc/98/89/56/1126988956.db2.gz MMWZPQJXKCKBEV-UHFFFAOYSA-N 1 2 293.414 3.602 20 30 CHEDLO CCCCCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000815601335 1131007716 /nfs/dbraw/zinc/00/77/16/1131007716.db2.gz SUFRUMIAFHOVCC-ZDUSSCGKSA-N 1 2 278.425 3.516 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CCC2CCCC2)c1O ZINC000912962613 1127117292 /nfs/dbraw/zinc/11/72/92/1127117292.db2.gz VLYZJNGLHBKONJ-SFQUDFHCSA-N 1 2 261.365 3.790 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc(F)cc(F)c3)n2c1 ZINC000151443583 1127135701 /nfs/dbraw/zinc/13/57/01/1127135701.db2.gz YDOUMQSBYNNYBD-ONEGZZNKSA-N 1 2 298.292 3.817 20 30 CHEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000351824687 1127210109 /nfs/dbraw/zinc/21/01/09/1127210109.db2.gz SBOGUWBWFIVXMO-UHFFFAOYSA-N 1 2 258.390 3.736 20 30 CHEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000351824687 1127210114 /nfs/dbraw/zinc/21/01/14/1127210114.db2.gz SBOGUWBWFIVXMO-UHFFFAOYSA-N 1 2 258.390 3.736 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000354033966 1127287286 /nfs/dbraw/zinc/28/72/86/1127287286.db2.gz OAMATDWLRPFMIA-AWEZNQCLSA-N 1 2 294.402 3.509 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000354033966 1127287289 /nfs/dbraw/zinc/28/72/89/1127287289.db2.gz OAMATDWLRPFMIA-AWEZNQCLSA-N 1 2 294.402 3.509 20 30 CHEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592061058 1127332212 /nfs/dbraw/zinc/33/22/12/1127332212.db2.gz QDYLNPCGILQGOO-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592061058 1127332216 /nfs/dbraw/zinc/33/22/16/1127332216.db2.gz QDYLNPCGILQGOO-GFCCVEGCSA-N 1 2 285.778 3.800 20 30 CHEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592070771 1127335177 /nfs/dbraw/zinc/33/51/77/1127335177.db2.gz VYYMNKWCRSZMLV-GUYCJALGSA-N 1 2 295.386 3.828 20 30 CHEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592070771 1127335181 /nfs/dbraw/zinc/33/51/81/1127335181.db2.gz VYYMNKWCRSZMLV-GUYCJALGSA-N 1 2 295.386 3.828 20 30 CHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccncc2C#N)C1 ZINC000592071982 1127335188 /nfs/dbraw/zinc/33/51/88/1127335188.db2.gz ALHPMINFZAHVBZ-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071982 1127335191 /nfs/dbraw/zinc/33/51/91/1127335191.db2.gz ALHPMINFZAHVBZ-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO CCCOc1cccc2c(NCCCC#N)cc[nH+]c12 ZINC000355676389 1127357746 /nfs/dbraw/zinc/35/77/46/1127357746.db2.gz TYTTZAPJOKZFTP-UHFFFAOYSA-N 1 2 269.348 3.739 20 30 CHEDLO C=CCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290332590 1127389244 /nfs/dbraw/zinc/38/92/44/1127389244.db2.gz OZUUGEKXUJARNT-MRXNPFEDSA-N 1 2 284.407 3.620 20 30 CHEDLO N#CC1(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CCC1 ZINC000593632758 1127391564 /nfs/dbraw/zinc/39/15/64/1127391564.db2.gz JQUHNSGMFAUMCC-GFCCVEGCSA-N 1 2 278.758 3.750 20 30 CHEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2Cl)CCCC1 ZINC000593653045 1127393079 /nfs/dbraw/zinc/39/30/79/1127393079.db2.gz YQQKBPSZBZDQMY-UHFFFAOYSA-N 1 2 266.747 3.653 20 30 CHEDLO CC(C)Sc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000358051858 1127399709 /nfs/dbraw/zinc/39/97/09/1127399709.db2.gz RNUPXEJIZDXTQW-ZDUSSCGKSA-N 1 2 262.422 3.921 20 30 CHEDLO CC(C)Sc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000358051858 1127399712 /nfs/dbraw/zinc/39/97/12/1127399712.db2.gz RNUPXEJIZDXTQW-ZDUSSCGKSA-N 1 2 262.422 3.921 20 30 CHEDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(C#N)cc1 ZINC000158094163 1127437592 /nfs/dbraw/zinc/43/75/92/1127437592.db2.gz GBFPUQDEIVVWCY-NSHDSACASA-N 1 2 286.762 3.768 20 30 CHEDLO Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595096488 1127455353 /nfs/dbraw/zinc/45/53/53/1127455353.db2.gz ZPLDEHRYIHAMLA-UONOGXRCSA-N 1 2 278.346 3.759 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)CCSc1cccc(Cl)c1 ZINC000595343153 1127458826 /nfs/dbraw/zinc/45/88/26/1127458826.db2.gz DWBGGGBWZVFPJM-NSHDSACASA-N 1 2 268.813 3.666 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1cccc(Cl)c1 ZINC000595343153 1127458828 /nfs/dbraw/zinc/45/88/28/1127458828.db2.gz DWBGGGBWZVFPJM-NSHDSACASA-N 1 2 268.813 3.666 20 30 CHEDLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595609344 1127470453 /nfs/dbraw/zinc/47/04/53/1127470453.db2.gz ISKFCSJSSNRSMF-GFCCVEGCSA-N 1 2 277.437 3.566 20 30 CHEDLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595609344 1127470454 /nfs/dbraw/zinc/47/04/54/1127470454.db2.gz ISKFCSJSSNRSMF-GFCCVEGCSA-N 1 2 277.437 3.566 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000595838398 1127477088 /nfs/dbraw/zinc/47/70/88/1127477088.db2.gz BJNFQLKEQKLMQM-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000595838398 1127477090 /nfs/dbraw/zinc/47/70/90/1127477090.db2.gz BJNFQLKEQKLMQM-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO N#CCC[N@H+](CCCc1ccsc1)Cc1ccco1 ZINC000360974534 1127525186 /nfs/dbraw/zinc/52/51/86/1127525186.db2.gz HHCZDSKGECBVNM-UHFFFAOYSA-N 1 2 274.389 3.690 20 30 CHEDLO N#CCC[N@@H+](CCCc1ccsc1)Cc1ccco1 ZINC000360974534 1127525190 /nfs/dbraw/zinc/52/51/90/1127525190.db2.gz HHCZDSKGECBVNM-UHFFFAOYSA-N 1 2 274.389 3.690 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000597177465 1127532223 /nfs/dbraw/zinc/53/22/23/1127532223.db2.gz MSNIPHANOJHGLT-LLVKDONJSA-N 1 2 289.379 3.561 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000597177465 1127532226 /nfs/dbraw/zinc/53/22/26/1127532226.db2.gz MSNIPHANOJHGLT-LLVKDONJSA-N 1 2 289.379 3.561 20 30 CHEDLO N#CCC[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000361075483 1127535858 /nfs/dbraw/zinc/53/58/58/1127535858.db2.gz YZIFWOVMEBFACL-VFNNOXKTSA-N 1 2 260.406 3.920 20 30 CHEDLO N#CCC[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000361075483 1127535861 /nfs/dbraw/zinc/53/58/61/1127535861.db2.gz YZIFWOVMEBFACL-VFNNOXKTSA-N 1 2 260.406 3.920 20 30 CHEDLO N#CC1(c2ccc(C[N@@H+]3Cc4cccc(F)c4C3)cc2)CC1 ZINC000597152188 1127530644 /nfs/dbraw/zinc/53/06/44/1127530644.db2.gz XHJKNZDFPHAUDB-UHFFFAOYSA-N 1 2 292.357 3.897 20 30 CHEDLO N#CC1(c2ccc(C[N@H+]3Cc4cccc(F)c4C3)cc2)CC1 ZINC000597152188 1127530646 /nfs/dbraw/zinc/53/06/46/1127530646.db2.gz XHJKNZDFPHAUDB-UHFFFAOYSA-N 1 2 292.357 3.897 20 30 CHEDLO N#CC1CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000602591602 1127595340 /nfs/dbraw/zinc/59/53/40/1127595340.db2.gz GWERDISRNGISPK-UHFFFAOYSA-N 1 2 284.407 3.566 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000295073804 1127618329 /nfs/dbraw/zinc/61/83/29/1127618329.db2.gz WUQIEPJNRKFVJV-AWEZNQCLSA-N 1 2 285.416 3.516 20 30 CHEDLO C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602981970 1127624232 /nfs/dbraw/zinc/62/42/32/1127624232.db2.gz LXKSOTCPJRRZPH-BXUZGUMPSA-N 1 2 298.308 3.535 20 30 CHEDLO C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602981970 1127624233 /nfs/dbraw/zinc/62/42/33/1127624233.db2.gz LXKSOTCPJRRZPH-BXUZGUMPSA-N 1 2 298.308 3.535 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602981777 1127624298 /nfs/dbraw/zinc/62/42/98/1127624298.db2.gz JLPODLVAARNACX-OCCSQVGLSA-N 1 2 294.345 3.721 20 30 CHEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602981777 1127624299 /nfs/dbraw/zinc/62/42/99/1127624299.db2.gz JLPODLVAARNACX-OCCSQVGLSA-N 1 2 294.345 3.721 20 30 CHEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284022 1127625307 /nfs/dbraw/zinc/62/53/07/1127625307.db2.gz KLCXAUCZWUZUKH-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362284022 1127625309 /nfs/dbraw/zinc/62/53/09/1127625309.db2.gz KLCXAUCZWUZUKH-ACJLOTCBSA-N 1 2 295.361 3.675 20 30 CHEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1C#N ZINC000599310729 1127666590 /nfs/dbraw/zinc/66/65/90/1127666590.db2.gz BBKFOYBBCIUFLR-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1C#N ZINC000599310729 1127666593 /nfs/dbraw/zinc/66/65/93/1127666593.db2.gz BBKFOYBBCIUFLR-QGZVFWFLSA-N 1 2 298.411 3.502 20 30 CHEDLO NC(=[NH+]OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000007042375 1127674849 /nfs/dbraw/zinc/67/48/49/1127674849.db2.gz HDFGQFHFPGAJST-UHFFFAOYSA-N 1 2 295.169 3.831 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000442683609 1127907815 /nfs/dbraw/zinc/90/78/15/1127907815.db2.gz WDEAGGPSMVMJTO-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000442683609 1127907818 /nfs/dbraw/zinc/90/78/18/1127907818.db2.gz WDEAGGPSMVMJTO-GFCCVEGCSA-N 1 2 298.336 3.956 20 30 CHEDLO C=CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428796495 1127947326 /nfs/dbraw/zinc/94/73/26/1127947326.db2.gz YJKQSJMFTYTDGY-BXUZGUMPSA-N 1 2 285.309 3.653 20 30 CHEDLO C=CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428796495 1127947328 /nfs/dbraw/zinc/94/73/28/1127947328.db2.gz YJKQSJMFTYTDGY-BXUZGUMPSA-N 1 2 285.309 3.653 20 30 CHEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000544599983 1127978044 /nfs/dbraw/zinc/97/80/44/1127978044.db2.gz UYYIXSNZDNEEOP-CYBMUJFWSA-N 1 2 268.335 3.742 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000541770217 1128038624 /nfs/dbraw/zinc/03/86/24/1128038624.db2.gz DDPJYNJPNCCXBH-JDGPPOGSSA-N 1 2 276.330 3.602 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000541770217 1128038627 /nfs/dbraw/zinc/03/86/27/1128038627.db2.gz DDPJYNJPNCCXBH-JDGPPOGSSA-N 1 2 276.330 3.602 20 30 CHEDLO C=C1CCC(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000888267125 1128082081 /nfs/dbraw/zinc/08/20/81/1128082081.db2.gz QHJJOQVJCCPIGE-UHFFFAOYSA-N 1 2 281.359 3.557 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccsc1)c1cccc(C#N)c1O ZINC000924664541 1128109408 /nfs/dbraw/zinc/10/94/08/1128109408.db2.gz DGIWEQZLDBPUBJ-CQSZACIVSA-N 1 2 272.373 3.566 20 30 CHEDLO C=CC[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000777544036 1128120122 /nfs/dbraw/zinc/12/01/22/1128120122.db2.gz CNFNOFJRLHNVHZ-UHFFFAOYSA-N 1 2 268.769 3.692 20 30 CHEDLO C=CC[N@H+](C)Cn1c2cc(Cl)ccc2oc1=S ZINC000777544036 1128120123 /nfs/dbraw/zinc/12/01/23/1128120123.db2.gz CNFNOFJRLHNVHZ-UHFFFAOYSA-N 1 2 268.769 3.692 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1noc(-c2ccccc2)n1 ZINC000925273335 1128127549 /nfs/dbraw/zinc/12/75/49/1128127549.db2.gz FIIZAGNALCHENX-QWHCGFSZSA-N 1 2 298.390 3.716 20 30 CHEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000925600999 1128133458 /nfs/dbraw/zinc/13/34/58/1128133458.db2.gz IYVNGIOZWGDYHT-CVEARBPZSA-N 1 2 295.386 3.995 20 30 CHEDLO CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000926343480 1128167774 /nfs/dbraw/zinc/16/77/74/1128167774.db2.gz GESONWDIVYCMBA-FZMZJTMJSA-N 1 2 294.345 3.740 20 30 CHEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(-c2ccccc2)no1 ZINC000926873714 1128199059 /nfs/dbraw/zinc/19/90/59/1128199059.db2.gz IPNJRVIEGGDYAZ-GFCCVEGCSA-N 1 2 269.348 3.542 20 30 CHEDLO CCc1onc(C)c1C[N@@H+](CCC#N)CC(CC)CC ZINC000929782495 1128287013 /nfs/dbraw/zinc/28/70/13/1128287013.db2.gz ZKIYLIQKIRUJRO-UHFFFAOYSA-N 1 2 277.412 3.697 20 30 CHEDLO CCc1onc(C)c1C[N@H+](CCC#N)CC(CC)CC ZINC000929782495 1128287015 /nfs/dbraw/zinc/28/70/15/1128287015.db2.gz ZKIYLIQKIRUJRO-UHFFFAOYSA-N 1 2 277.412 3.697 20 30 CHEDLO C#CC[C@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1ccccc1 ZINC000930219066 1128308587 /nfs/dbraw/zinc/30/85/87/1128308587.db2.gz CXPTXEOIHKFFCC-INIZCTEOSA-N 1 2 282.387 3.826 20 30 CHEDLO C=C(C)c1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000934876509 1128471428 /nfs/dbraw/zinc/47/14/28/1128471428.db2.gz UGJIYRFIIODQHW-UHFFFAOYSA-N 1 2 298.390 3.518 20 30 CHEDLO Cc1ccccc1C[C@H](C)/[NH+]=C/c1ccccc1O ZINC000917557164 1128506912 /nfs/dbraw/zinc/50/69/12/1128506912.db2.gz ZQILPHYCZORLJZ-QCUKBLKESA-N 1 2 253.345 3.751 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000565843032 1128533556 /nfs/dbraw/zinc/53/35/56/1128533556.db2.gz WUPFOZMSVZMVBP-GHMZBOCLSA-N 1 2 292.333 3.774 20 30 CHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000565843034 1128533692 /nfs/dbraw/zinc/53/36/92/1128533692.db2.gz WUPFOZMSVZMVBP-QWRGUYRKSA-N 1 2 292.333 3.774 20 30 CHEDLO C[C@@H](N[NH+]=Cc1ccc(N2CCCCC2)o1)c1ccccc1 ZINC000920383185 1128679247 /nfs/dbraw/zinc/67/92/47/1128679247.db2.gz TXMJJHWOWLCGNB-OAHLLOKOSA-N 1 2 297.402 3.955 20 30 CHEDLO CCCCCCC[C@@H](C)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001258043835 1128685164 /nfs/dbraw/zinc/68/51/64/1128685164.db2.gz GYWSQGKJTWJMHC-KGLIPLIRSA-N 1 2 257.393 3.738 20 30 CHEDLO CCCCCCC[C@@H](C)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001258043835 1128685165 /nfs/dbraw/zinc/68/51/65/1128685165.db2.gz GYWSQGKJTWJMHC-KGLIPLIRSA-N 1 2 257.393 3.738 20 30 CHEDLO COc1cccc(/C=[NH+]\C[C@H](C)c2ccccc2)c1O ZINC000920943883 1128695666 /nfs/dbraw/zinc/69/56/66/1128695666.db2.gz CIGUGPMEGSWEDY-CYUIRQCWSA-N 1 2 269.344 3.623 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000072692957 1117805373 /nfs/dbraw/zinc/80/53/73/1117805373.db2.gz JFOQKNXCGNQKSZ-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000072692957 1117805381 /nfs/dbraw/zinc/80/53/81/1117805381.db2.gz JFOQKNXCGNQKSZ-UHFFFAOYSA-N 1 2 279.815 3.887 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1nc(CCC)no1)c1ccccc1 ZINC000180034648 1117920826 /nfs/dbraw/zinc/92/08/26/1117920826.db2.gz JGDRPZQALAQQSC-HNNXBMFYSA-N 1 2 285.391 3.819 20 30 CHEDLO COc1cc(C)[nH+]c(CSc2ccccc2C#N)c1 ZINC000339742350 1117971495 /nfs/dbraw/zinc/97/14/95/1117971495.db2.gz KBWBNYIQEWHSNP-UHFFFAOYSA-N 1 2 270.357 3.563 20 30 CHEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccc(F)nc1 ZINC001167273314 1118137420 /nfs/dbraw/zinc/13/74/20/1118137420.db2.gz BJOSJIOFAWZTOV-ZDUSSCGKSA-N 1 2 286.325 3.556 20 30 CHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccc(F)nc1 ZINC001167273314 1118137424 /nfs/dbraw/zinc/13/74/24/1118137424.db2.gz BJOSJIOFAWZTOV-ZDUSSCGKSA-N 1 2 286.325 3.556 20 30 CHEDLO C=CCc1cccc(C(C)C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000281812250 1118240016 /nfs/dbraw/zinc/24/00/16/1118240016.db2.gz KPMIEIHONJIPMK-UHFFFAOYSA-N 1 2 297.402 3.833 20 30 CHEDLO C=CCc1cccc(C(C)C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000281812250 1118240020 /nfs/dbraw/zinc/24/00/20/1118240020.db2.gz KPMIEIHONJIPMK-UHFFFAOYSA-N 1 2 297.402 3.833 20 30 CHEDLO CSc1cc(Nc2ccc(F)cc2C#N)cc[nH+]1 ZINC001210549612 1118323357 /nfs/dbraw/zinc/32/33/57/1118323357.db2.gz ADCXHYXGUGBDPN-UHFFFAOYSA-N 1 2 259.309 3.558 20 30 CHEDLO CCOc1cc(Nc2ccc(F)cc2C#N)cc(C)[nH+]1 ZINC001210550779 1118323585 /nfs/dbraw/zinc/32/35/85/1118323585.db2.gz LPULJARKPRCFNG-UHFFFAOYSA-N 1 2 271.295 3.543 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000047979393 1118412071 /nfs/dbraw/zinc/41/20/71/1118412071.db2.gz GYDAMZSIAKZKLV-VIFPVBQESA-N 1 2 257.164 3.585 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000047979393 1118412073 /nfs/dbraw/zinc/41/20/73/1118412073.db2.gz GYDAMZSIAKZKLV-VIFPVBQESA-N 1 2 257.164 3.585 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000054183621 1118467439 /nfs/dbraw/zinc/46/74/39/1118467439.db2.gz DASDTGOFZIYGBI-VIFPVBQESA-N 1 2 274.336 3.517 20 30 CHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Cl)s1 ZINC000255237278 1118517445 /nfs/dbraw/zinc/51/74/45/1118517445.db2.gz YZXRTBRFLHLVEH-PLNGDYQASA-N 1 2 288.759 3.945 20 30 CHEDLO Cc1cccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000180309602 1128785981 /nfs/dbraw/zinc/78/59/81/1128785981.db2.gz KIRSKLSEIUULKJ-CMDGGOBGSA-N 1 2 262.312 3.539 20 30 CHEDLO FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](CC2(F)CC2)C1 ZINC000684357040 1118646598 /nfs/dbraw/zinc/64/65/98/1118646598.db2.gz PCWGJGVFRIUQKT-HTQZYQBOSA-N 1 2 293.226 3.551 20 30 CHEDLO Oc1ccccc1/C=[NH+]\CC1(c2ccccc2)CCOCC1 ZINC000255362175 1118671756 /nfs/dbraw/zinc/67/17/56/1118671756.db2.gz KRIBJZWYGNJBJA-ZHZULCJRSA-N 1 2 295.382 3.560 20 30 CHEDLO C=CC[N@@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000121468122 1118699263 /nfs/dbraw/zinc/69/92/63/1118699263.db2.gz GOJSCXPVHDSPLQ-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO C=CC[N@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000121468122 1118699265 /nfs/dbraw/zinc/69/92/65/1118699265.db2.gz GOJSCXPVHDSPLQ-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC000891937572 1118856590 /nfs/dbraw/zinc/85/65/90/1118856590.db2.gz NLLXGBRLHFHHAE-UHFFFAOYSA-N 1 2 288.439 3.760 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC000891937572 1118856594 /nfs/dbraw/zinc/85/65/94/1118856594.db2.gz NLLXGBRLHFHHAE-UHFFFAOYSA-N 1 2 288.439 3.760 20 30 CHEDLO COCC[N@H+](CCC#N)Cc1c(C)c(C)c(C)c(C)c1C ZINC000610821143 1118898385 /nfs/dbraw/zinc/89/83/85/1118898385.db2.gz LPDJHDQNUWBDMH-UHFFFAOYSA-N 1 2 288.435 3.591 20 30 CHEDLO COCC[N@@H+](CCC#N)Cc1c(C)c(C)c(C)c(C)c1C ZINC000610821143 1118898388 /nfs/dbraw/zinc/89/83/88/1118898388.db2.gz LPDJHDQNUWBDMH-UHFFFAOYSA-N 1 2 288.435 3.591 20 30 CHEDLO Cc1cccc2[nH]cc(CC/[NH+]=C/c3cccc(O)c3O)c21 ZINC000728438250 1118944843 /nfs/dbraw/zinc/94/48/43/1118944843.db2.gz RAKRBTPDZMPPOY-VXLYETTFSA-N 1 2 294.354 3.549 20 30 CHEDLO Cc1cccc2[nH]cc(CC/[NH+]=C\c3ccccc3O)c21 ZINC000728437829 1118946672 /nfs/dbraw/zinc/94/66/72/1118946672.db2.gz KCHXYTKWPVJOCR-ODLFYWEKSA-N 1 2 278.355 3.844 20 30 CHEDLO Cc1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000051966059 1119246998 /nfs/dbraw/zinc/24/69/98/1119246998.db2.gz JXPXJKTUSMSTDU-UHFFFAOYSA-N 1 2 266.344 3.624 20 30 CHEDLO Cc1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)o1 ZINC000051966059 1119247000 /nfs/dbraw/zinc/24/70/00/1119247000.db2.gz JXPXJKTUSMSTDU-UHFFFAOYSA-N 1 2 266.344 3.624 20 30 CHEDLO C=CCCCCCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000156821955 1119373452 /nfs/dbraw/zinc/37/34/52/1119373452.db2.gz ASDYHRMZLWZCKW-UHFFFAOYSA-N 1 2 297.402 3.691 20 30 CHEDLO CC(C)(C#N)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000157459981 1119397918 /nfs/dbraw/zinc/39/79/18/1119397918.db2.gz QJZKZLRMUMNHCI-UHFFFAOYSA-N 1 2 272.348 3.815 20 30 CHEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000329432034 1119411942 /nfs/dbraw/zinc/41/19/42/1119411942.db2.gz KRURPZGANGILHY-DGCLKSJQSA-N 1 2 286.379 3.547 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn(C(C)C)nc1C ZINC000343525971 1119442773 /nfs/dbraw/zinc/44/27/73/1119442773.db2.gz YADDIVPJRRZFRZ-UHFFFAOYSA-N 1 2 290.455 3.924 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C(C)C)nc1C ZINC000343525971 1119442775 /nfs/dbraw/zinc/44/27/75/1119442775.db2.gz YADDIVPJRRZFRZ-UHFFFAOYSA-N 1 2 290.455 3.924 20 30 CHEDLO N#CC1(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000343579003 1119460276 /nfs/dbraw/zinc/46/02/76/1119460276.db2.gz GCDLORSJSRNQPQ-LBPRGKRZSA-N 1 2 286.272 3.713 20 30 CHEDLO C#Cc1cc(Nc2ccc(OCCCC)c(F)c2)cc[nH+]1 ZINC001211610141 1119478147 /nfs/dbraw/zinc/47/81/47/1119478147.db2.gz HHFBAYBBBZLMHC-UHFFFAOYSA-N 1 2 284.334 3.546 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000052869097 1119485752 /nfs/dbraw/zinc/48/57/52/1119485752.db2.gz QDXCDTDHFUKGPL-UHFFFAOYSA-N 1 2 286.419 3.597 20 30 CHEDLO Cc1[nH]c(/C=C2/C(=O)c3ccsc3S[C@H]2C)[nH+]c1C ZINC000901477995 1128863776 /nfs/dbraw/zinc/86/37/76/1128863776.db2.gz RIIULKIRNWGKNE-CAXXOGMASA-N 1 2 290.413 3.849 20 30 CHEDLO Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1C ZINC000255718184 1119733697 /nfs/dbraw/zinc/73/36/97/1119733697.db2.gz AOTXICKQHRXDFS-HJWRWDBZSA-N 1 2 276.339 3.847 20 30 CHEDLO CC[N@@H+](Cc1cc(C)ccc1OC(F)F)C[C@@H](C)C#N ZINC000091984032 1119766686 /nfs/dbraw/zinc/76/66/86/1119766686.db2.gz RTLMMTNTSPEDOM-LBPRGKRZSA-N 1 2 282.334 3.578 20 30 CHEDLO CC[N@H+](Cc1cc(C)ccc1OC(F)F)C[C@@H](C)C#N ZINC000091984032 1119766689 /nfs/dbraw/zinc/76/66/89/1119766689.db2.gz RTLMMTNTSPEDOM-LBPRGKRZSA-N 1 2 282.334 3.578 20 30 CHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(CCCC)no1 ZINC000065959538 1119796699 /nfs/dbraw/zinc/79/66/99/1119796699.db2.gz PYOAUEATCXPIED-UHFFFAOYSA-N 1 2 299.418 3.643 20 30 CHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(CCCC)no1 ZINC000065959538 1119796702 /nfs/dbraw/zinc/79/67/02/1119796702.db2.gz PYOAUEATCXPIED-UHFFFAOYSA-N 1 2 299.418 3.643 20 30 CHEDLO CC[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000926717168 1119847212 /nfs/dbraw/zinc/84/72/12/1119847212.db2.gz CVAPIMRONDXQPN-STQMWFEESA-N 1 2 294.345 3.596 20 30 CHEDLO CC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000926717167 1119847569 /nfs/dbraw/zinc/84/75/69/1119847569.db2.gz CVAPIMRONDXQPN-QWHCGFSZSA-N 1 2 294.345 3.596 20 30 CHEDLO CCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)s1 ZINC000181479380 1128882377 /nfs/dbraw/zinc/88/23/77/1128882377.db2.gz WPCWXEIMZURFNY-UHFFFAOYSA-N 1 2 296.399 3.992 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1csnn1 ZINC000414304432 1119972785 /nfs/dbraw/zinc/97/27/85/1119972785.db2.gz OSSTVYRJAGKJJL-XHDPSFHLSA-N 1 2 298.415 3.528 20 30 CHEDLO Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)s1 ZINC000180310763 1119980110 /nfs/dbraw/zinc/98/01/10/1119980110.db2.gz MHOZAIWLMHHXKP-VOTSOKGWSA-N 1 2 268.341 3.600 20 30 CHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1coc2ccccc12 ZINC000180319409 1119981551 /nfs/dbraw/zinc/98/15/51/1119981551.db2.gz DFGBKGDDFXUKKM-CMDGGOBGSA-N 1 2 288.306 3.977 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)oc1C ZINC000901504778 1128895521 /nfs/dbraw/zinc/89/55/21/1128895521.db2.gz OGVWDFOHKGSJSS-WAYWQWQTSA-N 1 2 258.321 3.570 20 30 CHEDLO Cc1ccc([C@H]([NH2+]CC(C)(C)C#N)c2cccnc2)cc1 ZINC000926873551 1120172870 /nfs/dbraw/zinc/17/28/70/1120172870.db2.gz GOKXMAUIGUXFNQ-KRWDZBQOSA-N 1 2 279.387 3.619 20 30 CHEDLO CC[C@H](C)C[C@@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168688860 1120253098 /nfs/dbraw/zinc/25/30/98/1120253098.db2.gz FBIINJBBSODRTB-QWHCGFSZSA-N 1 2 257.381 3.873 20 30 CHEDLO CC[C@H](C)C[C@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168688862 1120253128 /nfs/dbraw/zinc/25/31/28/1120253128.db2.gz FBIINJBBSODRTB-STQMWFEESA-N 1 2 257.381 3.873 20 30 CHEDLO C#CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccccc1 ZINC000921934502 1120289835 /nfs/dbraw/zinc/28/98/35/1120289835.db2.gz DVQHEMMPRDWVFK-OAHLLOKOSA-N 1 2 282.387 3.826 20 30 CHEDLO Cc1[nH]c(/C=C2/C[C@@H](C)c3ccsc3C2=O)[nH+]c1C ZINC000901516717 1128905222 /nfs/dbraw/zinc/90/52/22/1128905222.db2.gz FZFKXJIOLFXXGN-XNYAHFKXSA-N 1 2 272.373 3.862 20 30 CHEDLO C=CC[N@@H+](CCC#N)C[C@H](C)c1cccc(Cl)c1 ZINC000428846871 1120414242 /nfs/dbraw/zinc/41/42/42/1120414242.db2.gz SEDOQIIYGITIAB-ZDUSSCGKSA-N 1 2 262.784 3.845 20 30 CHEDLO C=CC[N@H+](CCC#N)C[C@H](C)c1cccc(Cl)c1 ZINC000428846871 1120414245 /nfs/dbraw/zinc/41/42/45/1120414245.db2.gz SEDOQIIYGITIAB-ZDUSSCGKSA-N 1 2 262.784 3.845 20 30 CHEDLO Cc1cnc(Cl)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000922250467 1120485922 /nfs/dbraw/zinc/48/59/22/1120485922.db2.gz ROIAJNFWICLNOC-UHFFFAOYSA-N 1 2 277.799 3.607 20 30 CHEDLO CC[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000925657083 1120527036 /nfs/dbraw/zinc/52/70/36/1120527036.db2.gz IDQDEEPYLMDIJO-AWEZNQCLSA-N 1 2 294.345 3.882 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCCC#N ZINC000111309944 1120635296 /nfs/dbraw/zinc/63/52/96/1120635296.db2.gz SHKLNCJBORZXEE-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCCC#N ZINC000111309944 1120635298 /nfs/dbraw/zinc/63/52/98/1120635298.db2.gz SHKLNCJBORZXEE-CJNGLKHVSA-N 1 2 292.810 3.796 20 30 CHEDLO CC(=NOCCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777456433 1120643655 /nfs/dbraw/zinc/64/36/55/1120643655.db2.gz ZALFHBUGKDFDSF-UHFFFAOYSA-N 1 2 297.280 3.565 20 30 CHEDLO CC[N@@H+](Cc1cc2c(ccc(C)c2C)[nH]1)C[C@H](C)C#N ZINC000473142545 1120806686 /nfs/dbraw/zinc/80/66/86/1120806686.db2.gz JJRVMNPSACDRKU-GFCCVEGCSA-N 1 2 269.392 3.766 20 30 CHEDLO CC[N@H+](Cc1cc2c(ccc(C)c2C)[nH]1)C[C@H](C)C#N ZINC000473142545 1120806688 /nfs/dbraw/zinc/80/66/88/1120806688.db2.gz JJRVMNPSACDRKU-GFCCVEGCSA-N 1 2 269.392 3.766 20 30 CHEDLO CC(C)(C)c1nc(C[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000343941841 1120983616 /nfs/dbraw/zinc/98/36/16/1120983616.db2.gz AOTOXWRHOATOGT-UHFFFAOYSA-N 1 2 291.445 3.664 20 30 CHEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000625702969 1121063392 /nfs/dbraw/zinc/06/33/92/1121063392.db2.gz IZOSMZGUVIUCOL-CYBMUJFWSA-N 1 2 275.396 3.515 20 30 CHEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000625702969 1121063400 /nfs/dbraw/zinc/06/34/00/1121063400.db2.gz IZOSMZGUVIUCOL-CYBMUJFWSA-N 1 2 275.396 3.515 20 30 CHEDLO C[N@H+](Cc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000026263171 1121073238 /nfs/dbraw/zinc/07/32/38/1121073238.db2.gz PGPHEVFWDNWGHW-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C[N@@H+](Cc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000026263171 1121073248 /nfs/dbraw/zinc/07/32/48/1121073248.db2.gz PGPHEVFWDNWGHW-UHFFFAOYSA-N 1 2 293.395 3.800 20 30 CHEDLO C=C(C)c1ccccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174978178 1121108346 /nfs/dbraw/zinc/10/83/46/1121108346.db2.gz SDLUMDSBGUFDJK-UHFFFAOYSA-N 1 2 295.386 3.695 20 30 CHEDLO C=CC(C)(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000701909615 1121174321 /nfs/dbraw/zinc/17/43/21/1121174321.db2.gz ZRIOLNDBXAKCRQ-UHFFFAOYSA-N 1 2 253.773 3.738 20 30 CHEDLO C=CCOc1ccc(CNc2ccc(C)[nH+]c2C)cc1 ZINC000094664670 1121219713 /nfs/dbraw/zinc/21/97/13/1121219713.db2.gz CRSPUCJTMRXZNZ-UHFFFAOYSA-N 1 2 268.360 3.875 20 30 CHEDLO Cc1cc(C#N)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175353208 1121294230 /nfs/dbraw/zinc/29/42/30/1121294230.db2.gz XDHFXUYIJLRYFY-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO CCC[N@H+](Cc1nc(C(C)C)c[nH]1)Cc1ccc(C#N)cc1 ZINC000893952914 1121446246 /nfs/dbraw/zinc/44/62/46/1121446246.db2.gz WJXXCMCUAPCSRD-UHFFFAOYSA-N 1 2 296.418 3.817 20 30 CHEDLO CCC[N@@H+](Cc1nc(C(C)C)c[nH]1)Cc1ccc(C#N)cc1 ZINC000893952914 1121446251 /nfs/dbraw/zinc/44/62/51/1121446251.db2.gz WJXXCMCUAPCSRD-UHFFFAOYSA-N 1 2 296.418 3.817 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](c2ccccc2)O1 ZINC000245566872 1121476599 /nfs/dbraw/zinc/47/65/99/1121476599.db2.gz TZVCYKPLCNWXSG-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](c2ccccc2)O1 ZINC000245566872 1121476603 /nfs/dbraw/zinc/47/66/03/1121476603.db2.gz TZVCYKPLCNWXSG-GUYCJALGSA-N 1 2 298.411 3.582 20 30 CHEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000614179257 1121505250 /nfs/dbraw/zinc/50/52/50/1121505250.db2.gz LLFJTRULXJOMCC-VIFPVBQESA-N 1 2 289.766 3.667 20 30 CHEDLO C=CC[N@@H+](Cc1cc(OC)ccc1Br)C1CC1 ZINC000543619600 1121528803 /nfs/dbraw/zinc/52/88/03/1121528803.db2.gz ICINYMRPHXYSSM-UHFFFAOYSA-N 1 2 296.208 3.608 20 30 CHEDLO C=CC[N@H+](Cc1cc(OC)ccc1Br)C1CC1 ZINC000543619600 1121528806 /nfs/dbraw/zinc/52/88/06/1121528806.db2.gz ICINYMRPHXYSSM-UHFFFAOYSA-N 1 2 296.208 3.608 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1ncc(C)o1 ZINC000411179587 1121535291 /nfs/dbraw/zinc/53/52/91/1121535291.db2.gz PBYLYEYLSUGYOV-AWEZNQCLSA-N 1 2 286.375 3.741 20 30 CHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1ncc(C)o1 ZINC000411179587 1121535298 /nfs/dbraw/zinc/53/52/98/1121535298.db2.gz PBYLYEYLSUGYOV-AWEZNQCLSA-N 1 2 286.375 3.741 20 30 CHEDLO Cc1cccc(C)c1OC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000411469303 1121590851 /nfs/dbraw/zinc/59/08/51/1121590851.db2.gz AIDSVYISXSXYCA-SFHVURJKSA-N 1 2 294.398 3.927 20 30 CHEDLO C=CCCCCC[N@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC001176334460 1121599489 /nfs/dbraw/zinc/59/94/89/1121599489.db2.gz JRSHVHXUMLFCQX-MRXNPFEDSA-N 1 2 293.407 3.546 20 30 CHEDLO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC001176334460 1121599497 /nfs/dbraw/zinc/59/94/97/1121599497.db2.gz JRSHVHXUMLFCQX-MRXNPFEDSA-N 1 2 293.407 3.546 20 30 CHEDLO C[N@H+](Cc1cc(F)cc(Br)c1)CC(C)(C)C#N ZINC000433312315 1121643455 /nfs/dbraw/zinc/64/34/55/1121643455.db2.gz QEOQZVPJTBECMV-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO C[N@@H+](Cc1cc(F)cc(Br)c1)CC(C)(C)C#N ZINC000433312315 1121643458 /nfs/dbraw/zinc/64/34/58/1121643458.db2.gz QEOQZVPJTBECMV-UHFFFAOYSA-N 1 2 299.187 3.570 20 30 CHEDLO CC(C)CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509799399 1121609476 /nfs/dbraw/zinc/60/94/76/1121609476.db2.gz NVASWUIJIYPTHS-HNNXBMFYSA-N 1 2 274.408 3.703 20 30 CHEDLO CC(C)CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509799399 1121609479 /nfs/dbraw/zinc/60/94/79/1121609479.db2.gz NVASWUIJIYPTHS-HNNXBMFYSA-N 1 2 274.408 3.703 20 30 CHEDLO CCCCCCCCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001176832561 1121697364 /nfs/dbraw/zinc/69/73/64/1121697364.db2.gz VSXNQVKFLFCDQS-UHFFFAOYSA-N 1 2 279.428 3.551 20 30 CHEDLO C=C(C)[C@@H]([NH2+]Cc1cnsc1)c1ccc(F)c(F)c1 ZINC001178524899 1121793811 /nfs/dbraw/zinc/79/38/11/1121793811.db2.gz PQMLMHQWAWPKMO-CQSZACIVSA-N 1 2 280.343 3.828 20 30 CHEDLO C[C@@H]1C[C@H]1c1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730147766 1121794748 /nfs/dbraw/zinc/79/47/48/1121794748.db2.gz JSHTXYXIQDVTPY-IUODEOHRSA-N 1 2 291.354 3.819 20 30 CHEDLO C=C(Br)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000730379084 1121805004 /nfs/dbraw/zinc/80/50/04/1121805004.db2.gz YLZZZTIKVGDCPN-NSHDSACASA-N 1 2 266.182 3.514 20 30 CHEDLO C=C(Br)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000730379084 1121805016 /nfs/dbraw/zinc/80/50/16/1121805016.db2.gz YLZZZTIKVGDCPN-NSHDSACASA-N 1 2 266.182 3.514 20 30 CHEDLO C=C1CC[NH+](CC(=O)Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000731032242 1121845063 /nfs/dbraw/zinc/84/50/63/1121845063.db2.gz FUOQEVNOGIAFNR-OAHLLOKOSA-N 1 2 286.419 3.791 20 30 CHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(-c2ccccc2)c1 ZINC000731159410 1121852587 /nfs/dbraw/zinc/85/25/87/1121852587.db2.gz QJRZJXRZYSQWCX-MDZDMXLPSA-N 1 2 274.323 3.973 20 30 CHEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000731318538 1121863993 /nfs/dbraw/zinc/86/39/93/1121863993.db2.gz KQDCEPHKUPEXTF-UHFFFAOYSA-N 1 2 298.365 3.657 20 30 CHEDLO N#CC1(C[NH2+]Cc2cncc(Cl)c2Cl)CCCCC1 ZINC001182929629 1122198041 /nfs/dbraw/zinc/19/80/41/1122198041.db2.gz DTVOXCPHLCSAJS-UHFFFAOYSA-N 1 2 298.217 3.952 20 30 CHEDLO N#Cc1cc(Cl)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968531 1122304136 /nfs/dbraw/zinc/30/41/36/1122304136.db2.gz OWBXJHOHHZVHBN-UHFFFAOYSA-N 1 2 298.777 3.950 20 30 CHEDLO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000425271200 1122432790 /nfs/dbraw/zinc/43/27/90/1122432790.db2.gz HRAHXAXEJYIMLK-WDEREUQCSA-N 1 2 271.751 3.992 20 30 CHEDLO CC(C)(C#N)CCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405148074 1122445152 /nfs/dbraw/zinc/44/51/52/1122445152.db2.gz OSSCPFRNAABITP-UHFFFAOYSA-N 1 2 267.376 3.594 20 30 CHEDLO CC(C)(C#N)CCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405148074 1122445158 /nfs/dbraw/zinc/44/51/58/1122445158.db2.gz OSSCPFRNAABITP-UHFFFAOYSA-N 1 2 267.376 3.594 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c2c(OC)cccc12 ZINC000435600606 1122479174 /nfs/dbraw/zinc/47/91/74/1122479174.db2.gz DQPGULARYAXTCW-UGSOOPFHSA-N 1 2 298.386 3.637 20 30 CHEDLO CCC#C[C@@H](C)[N@@H+]1CCc2cccc(Br)c2C1 ZINC001192225089 1122635719 /nfs/dbraw/zinc/63/57/19/1122635719.db2.gz YUCLCHGWUXQFMD-GFCCVEGCSA-N 1 2 292.220 3.609 20 30 CHEDLO CCC#C[C@@H](C)[N@H+]1CCc2cccc(Br)c2C1 ZINC001192225089 1122635720 /nfs/dbraw/zinc/63/57/20/1122635720.db2.gz YUCLCHGWUXQFMD-GFCCVEGCSA-N 1 2 292.220 3.609 20 30 CHEDLO C=C(C)C[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439463550 1122783835 /nfs/dbraw/zinc/78/38/35/1122783835.db2.gz BXPVTUIWFMMGDZ-UHFFFAOYSA-N 1 2 258.340 3.631 20 30 CHEDLO C=C(C)C[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439463550 1122783840 /nfs/dbraw/zinc/78/38/40/1122783840.db2.gz BXPVTUIWFMMGDZ-UHFFFAOYSA-N 1 2 258.340 3.631 20 30 CHEDLO CCC#C[C@H](C)[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC001194723027 1122798247 /nfs/dbraw/zinc/79/82/47/1122798247.db2.gz DLOFTKZUMNQGLJ-LBPRGKRZSA-N 1 2 277.795 3.509 20 30 CHEDLO CCC#C[C@H](C)[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC001194723027 1122798248 /nfs/dbraw/zinc/79/82/48/1122798248.db2.gz DLOFTKZUMNQGLJ-LBPRGKRZSA-N 1 2 277.795 3.509 20 30 CHEDLO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC#N ZINC000441064942 1123054050 /nfs/dbraw/zinc/05/40/50/1123054050.db2.gz INKXQKCAJJOGAW-BEFAXECRSA-N 1 2 276.383 3.589 20 30 CHEDLO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC#N ZINC000441064942 1123054056 /nfs/dbraw/zinc/05/40/56/1123054056.db2.gz INKXQKCAJJOGAW-BEFAXECRSA-N 1 2 276.383 3.589 20 30 CHEDLO Cc1cccc(C[N@H+](C)CC#Cc2ccccc2Cl)n1 ZINC000441225843 1123070602 /nfs/dbraw/zinc/07/06/02/1123070602.db2.gz DGLQDPIJDXNUIT-UHFFFAOYSA-N 1 2 284.790 3.527 20 30 CHEDLO Cc1cccc(C[N@@H+](C)CC#Cc2ccccc2Cl)n1 ZINC000441225843 1123070606 /nfs/dbraw/zinc/07/06/06/1123070606.db2.gz DGLQDPIJDXNUIT-UHFFFAOYSA-N 1 2 284.790 3.527 20 30 CHEDLO CCCCCCCCCCCN1CC[NH+](CCOC)CC1 ZINC001201631353 1123129949 /nfs/dbraw/zinc/12/99/49/1123129949.db2.gz REGIVHPYWHIQJX-UHFFFAOYSA-N 1 2 298.515 3.781 20 30 CHEDLO CCCCCCCCCC[N@@H+]1Cc2cncnc2C1 ZINC001201853004 1123152464 /nfs/dbraw/zinc/15/24/64/1123152464.db2.gz XCNDVAXOHHHVFX-UHFFFAOYSA-N 1 2 261.413 3.933 20 30 CHEDLO CCCCCCCCCC[N@H+]1Cc2cncnc2C1 ZINC001201853004 1123152466 /nfs/dbraw/zinc/15/24/66/1123152466.db2.gz XCNDVAXOHHHVFX-UHFFFAOYSA-N 1 2 261.413 3.933 20 30 CHEDLO C#CC[N@@H+](Cc1csc([C@H](C)OCC)n1)C1CCCC1 ZINC000155803560 1129106236 /nfs/dbraw/zinc/10/62/36/1129106236.db2.gz SQSGEHCBAJHDPW-ZDUSSCGKSA-N 1 2 292.448 3.618 20 30 CHEDLO C#CC[N@H+](Cc1csc([C@H](C)OCC)n1)C1CCCC1 ZINC000155803560 1129106237 /nfs/dbraw/zinc/10/62/37/1129106237.db2.gz SQSGEHCBAJHDPW-ZDUSSCGKSA-N 1 2 292.448 3.618 20 30 CHEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000183832724 1129108731 /nfs/dbraw/zinc/10/87/31/1129108731.db2.gz JUUWKFSAKVTRDR-QMMMGPOBSA-N 1 2 276.689 3.608 20 30 CHEDLO C=CCCSCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850503024 1123276416 /nfs/dbraw/zinc/27/64/16/1123276416.db2.gz ZXIZWLYODOORAK-JTQLQIEISA-N 1 2 287.375 3.630 20 30 CHEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(C)(C)C#N)CCCCC1 ZINC000776593838 1123404288 /nfs/dbraw/zinc/40/42/88/1123404288.db2.gz NEPNFOSHGFORLX-UHFFFAOYSA-N 1 2 294.439 3.560 20 30 CHEDLO C(=NNCCCn1cc[nH+]c1)c1cccc(C2CCCC2)c1 ZINC000853372528 1123437014 /nfs/dbraw/zinc/43/70/14/1123437014.db2.gz OQNXUNFYJKEZCJ-UHFFFAOYSA-N 1 2 296.418 3.555 20 30 CHEDLO C=CCCC(C)(C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000639335581 1123482343 /nfs/dbraw/zinc/48/23/43/1123482343.db2.gz UQYARABDPOEDLG-CQSZACIVSA-N 1 2 276.428 3.761 20 30 CHEDLO Cc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](C#N)C1 ZINC000895650860 1123499614 /nfs/dbraw/zinc/49/96/14/1123499614.db2.gz PHRUNXMGFDWCMB-CQSZACIVSA-N 1 2 265.360 3.592 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896501569 1123591478 /nfs/dbraw/zinc/59/14/78/1123591478.db2.gz ATHLEHLMUUUSPN-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896501569 1123591481 /nfs/dbraw/zinc/59/14/81/1123591481.db2.gz ATHLEHLMUUUSPN-CQSZACIVSA-N 1 2 280.371 3.584 20 30 CHEDLO C=C1CC(c2noc([C@H](c3ccccc3)[N@@H+](C)CC)n2)C1 ZINC000896877503 1123655784 /nfs/dbraw/zinc/65/57/84/1123655784.db2.gz SSSCWZBXAGHBPG-HNNXBMFYSA-N 1 2 283.375 3.544 20 30 CHEDLO C=C1CC(c2noc([C@H](c3ccccc3)[N@H+](C)CC)n2)C1 ZINC000896877503 1123655788 /nfs/dbraw/zinc/65/57/88/1123655788.db2.gz SSSCWZBXAGHBPG-HNNXBMFYSA-N 1 2 283.375 3.544 20 30 CHEDLO C#CC[N@@H+](Cc1nc(C)cs1)[C@@H]1CCc2ccccc21 ZINC000081665706 1129137062 /nfs/dbraw/zinc/13/70/62/1129137062.db2.gz RSRNBLKZYOGSIX-MRXNPFEDSA-N 1 2 282.412 3.574 20 30 CHEDLO C#CC[N@H+](Cc1nc(C)cs1)[C@@H]1CCc2ccccc21 ZINC000081665706 1129137063 /nfs/dbraw/zinc/13/70/63/1129137063.db2.gz RSRNBLKZYOGSIX-MRXNPFEDSA-N 1 2 282.412 3.574 20 30 CHEDLO CCc1nc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000346133303 1123666442 /nfs/dbraw/zinc/66/64/42/1123666442.db2.gz JKEDKHFBGXARPH-JTQLQIEISA-N 1 2 289.379 3.567 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(OC)c(OC)c1Cl ZINC000158145278 1129139932 /nfs/dbraw/zinc/13/99/32/1129139932.db2.gz NFKOUEJJMHITMD-UHFFFAOYSA-N 1 2 281.783 3.531 20 30 CHEDLO C=C1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000336335339 1123762094 /nfs/dbraw/zinc/76/20/94/1123762094.db2.gz FPIAPIAQAGEIDN-LLVKDONJSA-N 1 2 275.377 3.511 20 30 CHEDLO C=C(Br)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084501258 1129153184 /nfs/dbraw/zinc/15/31/84/1129153184.db2.gz SIEBBNLXKQHFIR-UHFFFAOYSA-N 1 2 286.135 3.559 20 30 CHEDLO C=C(Br)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084501258 1129153187 /nfs/dbraw/zinc/15/31/87/1129153187.db2.gz SIEBBNLXKQHFIR-UHFFFAOYSA-N 1 2 286.135 3.559 20 30 CHEDLO CC(C)(C)c1cn(Cc2ccc(Cl)cc2C#N)c[nH+]1 ZINC000865376133 1123976869 /nfs/dbraw/zinc/97/68/69/1123976869.db2.gz AMLZEOLLQNWFSY-UHFFFAOYSA-N 1 2 273.767 3.754 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3ccccn13)CC2 ZINC000179072072 1123998441 /nfs/dbraw/zinc/99/84/41/1123998441.db2.gz WCPUIDPNDJYZBF-RVDMUPIBSA-N 1 2 288.350 3.855 20 30 CHEDLO C=CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccncc1 ZINC000866268325 1124044572 /nfs/dbraw/zinc/04/45/72/1124044572.db2.gz SLNKVSDARDWYPH-SOLBZPMBSA-N 1 2 298.361 3.760 20 30 CHEDLO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866270582 1124044973 /nfs/dbraw/zinc/04/49/73/1124044973.db2.gz ZFPWTKYJXDCDNO-KWCYVHTRSA-N 1 2 290.432 3.589 20 30 CHEDLO CC#CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444701999 1124054514 /nfs/dbraw/zinc/05/45/14/1124054514.db2.gz XLGFLIPRLVUQCU-XJKSGUPXSA-N 1 2 277.795 3.515 20 30 CHEDLO CC#CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444701999 1124054517 /nfs/dbraw/zinc/05/45/17/1124054517.db2.gz XLGFLIPRLVUQCU-XJKSGUPXSA-N 1 2 277.795 3.515 20 30 CHEDLO Cc1ccsc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428466187 1124131377 /nfs/dbraw/zinc/13/13/77/1124131377.db2.gz WHUWBLZGNCVIHZ-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO Cc1ccsc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428466187 1124131378 /nfs/dbraw/zinc/13/13/78/1124131378.db2.gz WHUWBLZGNCVIHZ-UHFFFAOYSA-N 1 2 274.364 3.699 20 30 CHEDLO Cc1cc(F)cc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC001238781930 1131246988 /nfs/dbraw/zinc/24/69/88/1131246988.db2.gz XGJCMKCLRWJNBN-UHFFFAOYSA-N 1 2 266.747 3.523 20 30 CHEDLO C=CCCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000339090554 1124502170 /nfs/dbraw/zinc/50/21/70/1124502170.db2.gz GLQVIKDYVSAZEN-UHFFFAOYSA-N 1 2 258.390 3.990 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl ZINC000526083913 1124505606 /nfs/dbraw/zinc/50/56/06/1124505606.db2.gz QUKVOBUDCPRLEP-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl ZINC000526083913 1124505612 /nfs/dbraw/zinc/50/56/12/1124505612.db2.gz QUKVOBUDCPRLEP-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C=C(Br)C[NH2+]Cc1c(Cl)cccc1Cl ZINC000122713206 1124525879 /nfs/dbraw/zinc/52/58/79/1124525879.db2.gz XHWPLEOOBPJNST-UHFFFAOYSA-N 1 2 295.007 3.992 20 30 CHEDLO CC[N@@H+](Cc1cc2ccccc2cc1OC)C[C@@H](C)C#N ZINC000449014227 1124629685 /nfs/dbraw/zinc/62/96/85/1124629685.db2.gz HHJZIVLMBRZSJZ-AWEZNQCLSA-N 1 2 282.387 3.830 20 30 CHEDLO CC[N@H+](Cc1cc2ccccc2cc1OC)C[C@@H](C)C#N ZINC000449014227 1124629687 /nfs/dbraw/zinc/62/96/87/1124629687.db2.gz HHJZIVLMBRZSJZ-AWEZNQCLSA-N 1 2 282.387 3.830 20 30 CHEDLO C#CC[N@@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C1CC1 ZINC000805750376 1131293487 /nfs/dbraw/zinc/29/34/87/1131293487.db2.gz JKUFMEDAGFWXLF-UHFFFAOYSA-N 1 2 289.247 3.581 20 30 CHEDLO C#CC[N@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C1CC1 ZINC000805750376 1131293489 /nfs/dbraw/zinc/29/34/89/1131293489.db2.gz JKUFMEDAGFWXLF-UHFFFAOYSA-N 1 2 289.247 3.581 20 30 CHEDLO COC(=[NH2+])c1cccc(/C=C/c2ccc(C#N)cc2)c1 ZINC001239303749 1131313942 /nfs/dbraw/zinc/31/39/42/1131313942.db2.gz XBTGVOVQRKEUQC-PFVINCTPSA-N 1 2 262.312 3.700 20 30 CHEDLO C=CCC1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCC1 ZINC000449824682 1124879225 /nfs/dbraw/zinc/87/92/25/1124879225.db2.gz AGGSKKVLQAJQBS-UHFFFAOYSA-N 1 2 283.375 3.718 20 30 CHEDLO N#CCC[N@H+](CCC1=CCCCC1)Cc1ccccn1 ZINC000450471421 1125038361 /nfs/dbraw/zinc/03/83/61/1125038361.db2.gz KCKHELKDKURYHR-UHFFFAOYSA-N 1 2 269.392 3.688 20 30 CHEDLO N#CCC[N@@H+](CCC1=CCCCC1)Cc1ccccn1 ZINC000450471421 1125038370 /nfs/dbraw/zinc/03/83/70/1125038370.db2.gz KCKHELKDKURYHR-UHFFFAOYSA-N 1 2 269.392 3.688 20 30 CHEDLO C#C[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(Cl)cc1 ZINC000877540561 1125043377 /nfs/dbraw/zinc/04/33/77/1125043377.db2.gz CFTHERFOSGIVMP-SJKOYZFVSA-N 1 2 299.805 3.772 20 30 CHEDLO C[N@H+](Cc1ccc2ccc(Cl)cc2n1)CC(C)(C)C#N ZINC000878650275 1125170422 /nfs/dbraw/zinc/17/04/22/1125170422.db2.gz JFGJIIGGOHIBKA-UHFFFAOYSA-N 1 2 287.794 3.870 20 30 CHEDLO C[N@@H+](Cc1ccc2ccc(Cl)cc2n1)CC(C)(C)C#N ZINC000878650275 1125170427 /nfs/dbraw/zinc/17/04/27/1125170427.db2.gz JFGJIIGGOHIBKA-UHFFFAOYSA-N 1 2 287.794 3.870 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878813825 1125180537 /nfs/dbraw/zinc/18/05/37/1125180537.db2.gz REKSRGGKGHXMTG-AWEZNQCLSA-N 1 2 276.330 3.699 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000878813825 1125180541 /nfs/dbraw/zinc/18/05/41/1125180541.db2.gz REKSRGGKGHXMTG-AWEZNQCLSA-N 1 2 276.330 3.699 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000532344033 1125250073 /nfs/dbraw/zinc/25/00/73/1125250073.db2.gz BMJVJSGJANLOHS-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000532344033 1125250076 /nfs/dbraw/zinc/25/00/76/1125250076.db2.gz BMJVJSGJANLOHS-LBPRGKRZSA-N 1 2 298.336 3.956 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577299 1125280884 /nfs/dbraw/zinc/28/08/84/1125280884.db2.gz IRQDSFFQOQWDJG-OALUTQOASA-N 1 2 298.430 3.780 20 30 CHEDLO N#C[C@@H](c1ccccc1)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577299 1125280890 /nfs/dbraw/zinc/28/08/90/1125280890.db2.gz IRQDSFFQOQWDJG-OALUTQOASA-N 1 2 298.430 3.780 20 30 CHEDLO Cc1cc(N[C@H](C)c2ccc(OCC#N)cc2)c[nH+]c1C ZINC000883342395 1125398451 /nfs/dbraw/zinc/39/84/51/1125398451.db2.gz VTLSGBSRTJNVHU-CQSZACIVSA-N 1 2 281.359 3.774 20 30 CHEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2F)c[nH+]c1C ZINC000883342650 1125398914 /nfs/dbraw/zinc/39/89/14/1125398914.db2.gz GZPOSZHOOKHNFH-LBPRGKRZSA-N 1 2 269.323 3.882 20 30 CHEDLO O=C1c2c(Cl)sc(Cl)c2CC/C1=C/c1[nH]cc[nH+]1 ZINC000760263580 1125428033 /nfs/dbraw/zinc/42/80/33/1125428033.db2.gz FORMHFPEBJHENU-WAYWQWQTSA-N 1 2 299.182 3.991 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](c1nccn1C)C1CC1 ZINC000637870610 1129233044 /nfs/dbraw/zinc/23/30/44/1129233044.db2.gz DGLXBCRNOWPLMC-OAHLLOKOSA-N 1 2 287.432 3.621 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](c1nccn1C)C1CC1 ZINC000637870610 1129233046 /nfs/dbraw/zinc/23/30/46/1129233046.db2.gz DGLXBCRNOWPLMC-OAHLLOKOSA-N 1 2 287.432 3.621 20 30 CHEDLO CCOc1cccc(/C=[NH+]/CC2Cc3ccccc3C2)c1O ZINC000735228457 1129335097 /nfs/dbraw/zinc/33/50/97/1129335097.db2.gz BOVXPIWOPQSXBR-DEDYPNTBSA-N 1 2 295.382 3.625 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1C ZINC000640029558 1129345100 /nfs/dbraw/zinc/34/51/00/1129345100.db2.gz JEEXURAIDODTLZ-WMZOPIPTSA-N 1 2 298.430 3.939 20 30 CHEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1C ZINC000640029558 1129345103 /nfs/dbraw/zinc/34/51/03/1129345103.db2.gz JEEXURAIDODTLZ-WMZOPIPTSA-N 1 2 298.430 3.939 20 30 CHEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1C[C@H]1c1ccccc1 ZINC000093100516 1129417451 /nfs/dbraw/zinc/41/74/51/1129417451.db2.gz HDVYRUXCRZNPGE-MJGOQNOKSA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1C[C@H]1c1ccccc1 ZINC000093100516 1129417456 /nfs/dbraw/zinc/41/74/56/1129417456.db2.gz HDVYRUXCRZNPGE-MJGOQNOKSA-N 1 2 291.398 3.601 20 30 CHEDLO Cc1cccc([C@@H](C)C/[NH+]=C/c2ccccc2O)c1 ZINC000741165513 1129431202 /nfs/dbraw/zinc/43/12/02/1129431202.db2.gz NDLCEZNTKPUVDN-QCUKBLKESA-N 1 2 253.345 3.923 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C/c1c[nH+]c3c(C)cccn13)C2=O ZINC000741467508 1129436734 /nfs/dbraw/zinc/43/67/34/1129436734.db2.gz MPDFXJAEOLXXKT-GDNBJRDFSA-N 1 2 288.350 3.774 20 30 CHEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1 ZINC000766420511 1129665295 /nfs/dbraw/zinc/66/52/95/1129665295.db2.gz HYDTVTNVQIIDTI-LBPRGKRZSA-N 1 2 292.766 3.657 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1N[C@H](C)c1ccc(C)cn1 ZINC001168850331 1129679915 /nfs/dbraw/zinc/67/99/15/1129679915.db2.gz INHOMDLTVXGVKX-CQSZACIVSA-N 1 2 267.376 3.995 20 30 CHEDLO C#C[C@](C)(CC)Nc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001169698001 1129747775 /nfs/dbraw/zinc/74/77/75/1129747775.db2.gz PVAMFUIFMFJJOX-CYBMUJFWSA-N 1 2 292.180 3.539 20 30 CHEDLO C#C[C@](C)(CC)Nc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001169698001 1129747780 /nfs/dbraw/zinc/74/77/80/1129747780.db2.gz PVAMFUIFMFJJOX-CYBMUJFWSA-N 1 2 292.180 3.539 20 30 CHEDLO Cc1cc2cc(NC34CCC(C#N)(CC3)CC4)[nH+]cc2[nH]1 ZINC001169746991 1129752022 /nfs/dbraw/zinc/75/20/22/1129752022.db2.gz UTBMZTRYLSHXOE-UHFFFAOYSA-N 1 2 280.375 3.900 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC001169863951 1129762581 /nfs/dbraw/zinc/76/25/81/1129762581.db2.gz LZPYRXVHOPCBTQ-CYBMUJFWSA-N 1 2 285.309 3.968 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC001169863951 1129762586 /nfs/dbraw/zinc/76/25/86/1129762586.db2.gz LZPYRXVHOPCBTQ-CYBMUJFWSA-N 1 2 285.309 3.968 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2cc[nH+]c(C3CC3)c2)C1 ZINC001169953534 1129768223 /nfs/dbraw/zinc/76/82/23/1129768223.db2.gz WZOCFAHGHBDSLA-UHFFFAOYSA-N 1 2 256.349 3.644 20 30 CHEDLO Oc1ccc(/C=[NH+]/CCC2=CCCCCC2)c(O)c1O ZINC000767338717 1129785740 /nfs/dbraw/zinc/78/57/40/1129785740.db2.gz QTYMWPGVTJMQPU-GZTJUZNOSA-N 1 2 275.348 3.503 20 30 CHEDLO C[N@H+](CCC#N)Cc1ccc(OCc2ccccc2F)cc1 ZINC000768137629 1129835429 /nfs/dbraw/zinc/83/54/29/1129835429.db2.gz QBKKYXLZTHVIMO-UHFFFAOYSA-N 1 2 298.361 3.750 20 30 CHEDLO C[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2F)cc1 ZINC000768137629 1129835431 /nfs/dbraw/zinc/83/54/31/1129835431.db2.gz QBKKYXLZTHVIMO-UHFFFAOYSA-N 1 2 298.361 3.750 20 30 CHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c(F)c1 ZINC000901420704 1129923786 /nfs/dbraw/zinc/92/37/86/1129923786.db2.gz SVXSNHSPMHJGCF-QPJJXVBHSA-N 1 2 288.322 3.508 20 30 CHEDLO Cc1cccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901427477 1129924485 /nfs/dbraw/zinc/92/44/85/1129924485.db2.gz JNKBDAYAZRKGGV-FPLPWBNLSA-N 1 2 254.333 3.669 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(OC(C)C)cc1 ZINC000901437858 1129925570 /nfs/dbraw/zinc/92/55/70/1129925570.db2.gz INCDXIBUWSPVFE-JXMROGBWSA-N 1 2 284.359 3.586 20 30 CHEDLO Cc1[nH]c(/C=C2\COc3c(cccc3C(C)C)C2=O)[nH+]c1C ZINC000901486342 1129929496 /nfs/dbraw/zinc/92/94/96/1129929496.db2.gz CRIHHGPAMIUEST-MDWZMJQESA-N 1 2 296.370 3.809 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc2c(c1)CCCO2 ZINC000901540006 1129935053 /nfs/dbraw/zinc/93/50/53/1129935053.db2.gz LUYSVEKBEREHEX-SREVYHEPSA-N 1 2 296.370 3.685 20 30 CHEDLO Fc1cc(NN=Cc2cccc3[nH+]ccn32)ccc1Cl ZINC000771101391 1129972045 /nfs/dbraw/zinc/97/20/45/1129972045.db2.gz SMJZTVSUWZPLPF-UHFFFAOYSA-N 1 2 288.713 3.573 20 30 CHEDLO CSCc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000902066172 1129976643 /nfs/dbraw/zinc/97/66/43/1129976643.db2.gz CTPMBBMBSJYLJX-UHFFFAOYSA-N 1 2 283.400 3.623 20 30 CHEDLO CC[NH+](CC)c1ccc(C)c(NCCCS)c1 ZINC001171003150 1131411488 /nfs/dbraw/zinc/41/14/88/1131411488.db2.gz LFGVROMJPQKBTB-UHFFFAOYSA-N 1 2 252.427 3.573 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cn(CC)cn1)c1ccc(F)c(F)c1 ZINC000902489390 1130016448 /nfs/dbraw/zinc/01/64/48/1130016448.db2.gz PTHKBYUKPBBKEU-INIZCTEOSA-N 1 2 291.345 3.588 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cc(C#N)ccn1 ZINC000902898762 1130080364 /nfs/dbraw/zinc/08/03/64/1130080364.db2.gz UWGJNHJGIKLOOG-ZDUSSCGKSA-N 1 2 280.375 3.501 20 30 CHEDLO N#CC1(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CCC1 ZINC000903032262 1130102827 /nfs/dbraw/zinc/10/28/27/1130102827.db2.gz HXVKQLPMJQCSPG-QGZVFWFLSA-N 1 2 295.361 3.594 20 30 CHEDLO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1F)c1cc(C#N)ccn1 ZINC000903093561 1130111183 /nfs/dbraw/zinc/11/11/83/1130111183.db2.gz IWBDQIRJAFLRCN-XZOAIXRZSA-N 1 2 295.361 3.629 20 30 CHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1F)c1cc(C#N)ccn1 ZINC000903093558 1130111400 /nfs/dbraw/zinc/11/14/00/1130111400.db2.gz IWBDQIRJAFLRCN-BJOOFOGMSA-N 1 2 295.361 3.629 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(F)nc1C)Cc1ccccc1F ZINC000787129923 1130133461 /nfs/dbraw/zinc/13/34/61/1130133461.db2.gz XCPOYPPWFWAODG-UHFFFAOYSA-N 1 2 288.341 3.856 20 30 CHEDLO C=CC[N@H+](Cc1ccc(F)nc1C)Cc1ccccc1F ZINC000787129923 1130133463 /nfs/dbraw/zinc/13/34/63/1130133463.db2.gz XCPOYPPWFWAODG-UHFFFAOYSA-N 1 2 288.341 3.856 20 30 CHEDLO C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cccc(C#N)c1O ZINC000903284276 1130145882 /nfs/dbraw/zinc/14/58/82/1130145882.db2.gz WAOHSTZXUVWMIR-DGCLKSJQSA-N 1 2 290.432 3.589 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000787311679 1130147092 /nfs/dbraw/zinc/14/70/92/1130147092.db2.gz YDVMYDJKIRETRA-JTQLQIEISA-N 1 2 269.747 3.725 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000787311679 1130147093 /nfs/dbraw/zinc/14/70/93/1130147093.db2.gz YDVMYDJKIRETRA-JTQLQIEISA-N 1 2 269.747 3.725 20 30 CHEDLO N#Cc1c(F)cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC001239927880 1130155759 /nfs/dbraw/zinc/15/57/59/1130155759.db2.gz YBYWDOSCEHVFDC-UHFFFAOYSA-N 1 2 281.265 3.894 20 30 CHEDLO CCC(O)(CC)CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000788284036 1130181037 /nfs/dbraw/zinc/18/10/37/1130181037.db2.gz AOLGIQPLUJFUAW-UYRXBGFRSA-N 1 2 285.387 3.906 20 30 CHEDLO O=C1c2cc(Cl)ccc2SCC/C1=C\c1[nH]cc[nH+]1 ZINC000748441628 1130232755 /nfs/dbraw/zinc/23/27/55/1130232755.db2.gz LQFIDFCZHGSGKW-VQHVLOKHSA-N 1 2 290.775 3.825 20 30 CHEDLO Cc1cccnc1N[NH+]=Cc1ccccc1N1CCCCC1 ZINC000790193199 1130297586 /nfs/dbraw/zinc/29/75/86/1130297586.db2.gz XZQWIKOWIKZFDE-UHFFFAOYSA-N 1 2 294.402 3.826 20 30 CHEDLO N#Cc1c(-c2ccccc2)ccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497393 1130330093 /nfs/dbraw/zinc/33/00/93/1130330093.db2.gz YRKOGEKDAWVPMK-UHFFFAOYSA-N 1 2 296.333 3.935 20 30 CHEDLO C[Si](C)(C)C#Cc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240503331 1130333132 /nfs/dbraw/zinc/33/31/32/1130333132.db2.gz LJZOIXCYSLYLSX-UHFFFAOYSA-N 1 2 291.430 3.625 20 30 CHEDLO Cc1c(F)cccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240732279 1130444596 /nfs/dbraw/zinc/44/45/96/1130444596.db2.gz HOUDSIJBHHIEOH-RGVLZGJSSA-N 1 2 281.334 3.894 20 30 CHEDLO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@H](C#N)C1 ZINC001170288816 1130481042 /nfs/dbraw/zinc/48/10/42/1130481042.db2.gz XIEPTQFLXJKMDD-CHWSQXEVSA-N 1 2 262.784 3.507 20 30 CHEDLO C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H](C#N)C1 ZINC001170288816 1130481045 /nfs/dbraw/zinc/48/10/45/1130481045.db2.gz XIEPTQFLXJKMDD-CHWSQXEVSA-N 1 2 262.784 3.507 20 30 CHEDLO CC(C)(C)c1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)[nH]1 ZINC001137372050 1130523344 /nfs/dbraw/zinc/52/33/44/1130523344.db2.gz HBXAHHHHQMKOCE-UHFFFAOYSA-N 1 2 293.414 3.742 20 30 CHEDLO CC(C)(C)c1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)[nH]1 ZINC001137372050 1130523347 /nfs/dbraw/zinc/52/33/47/1130523347.db2.gz HBXAHHHHQMKOCE-UHFFFAOYSA-N 1 2 293.414 3.742 20 30 CHEDLO COc1cc(F)cc(N[NH+]=C(C)c2ccc(N)cc2C)c1 ZINC000758119765 1130598927 /nfs/dbraw/zinc/59/89/27/1130598927.db2.gz UKCYCIYSNCKPMO-UHFFFAOYSA-N 1 2 287.338 3.561 20 30 CHEDLO CC(C)CC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001256365346 1130622307 /nfs/dbraw/zinc/62/23/07/1130622307.db2.gz JCUQATKGKJZABA-OAHLLOKOSA-N 1 2 259.397 3.622 20 30 CHEDLO CC(C)CC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001256365346 1130622310 /nfs/dbraw/zinc/62/23/10/1130622310.db2.gz JCUQATKGKJZABA-OAHLLOKOSA-N 1 2 259.397 3.622 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(C)nc(Cl)c1)c1ccc(F)cc1 ZINC000812793187 1130717134 /nfs/dbraw/zinc/71/71/34/1130717134.db2.gz OAEIOIQLFVWLRH-OAHLLOKOSA-N 1 2 288.753 3.647 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc(C)ccc1F)c1ccc(F)cc1 ZINC000812794169 1130719021 /nfs/dbraw/zinc/71/90/21/1130719021.db2.gz TVTKYRNDEZWKTE-KRWDZBQOSA-N 1 2 271.310 3.737 20 30 CHEDLO Clc1ccsc1C=NNc1cc[nH+]c2ccccc12 ZINC000782232394 1130764906 /nfs/dbraw/zinc/76/49/06/1130764906.db2.gz XCMDWEBCODSDBF-UHFFFAOYSA-N 1 2 287.775 3.818 20 30 CHEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(F)c(C#N)c1 ZINC001235897555 1130796825 /nfs/dbraw/zinc/79/68/25/1130796825.db2.gz BGDUNWJIBZGTPV-UHFFFAOYSA-N 1 2 293.301 3.559 20 30 CHEDLO CCOc1ccc(/C=[NH+]/C[C@H](SC)C(C)(C)C)c(O)c1 ZINC000783681387 1130847154 /nfs/dbraw/zinc/84/71/54/1130847154.db2.gz FJBWJFLEBCSSKM-ADFUCPMPSA-N 1 2 295.448 3.988 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)c(Cl)c1)c1ccc(N)nc1 ZINC000814796640 1130912079 /nfs/dbraw/zinc/91/20/79/1130912079.db2.gz JTDXYIGOLOFERG-UHFFFAOYSA-N 1 2 295.173 3.807 20 30 CHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1cc(N)ccc1F ZINC000814812863 1130915891 /nfs/dbraw/zinc/91/58/91/1130915891.db2.gz BDGYHSPZAZEEIW-UHFFFAOYSA-N 1 2 279.265 3.522 20 30 CHEDLO CCCC(=NNc1cc[nH+]c2ccccc12)c1ccccn1 ZINC000814841880 1130922125 /nfs/dbraw/zinc/92/21/25/1130922125.db2.gz YFYGAQWGTISAIJ-UHFFFAOYSA-N 1 2 290.370 3.668 20 30 CHEDLO CC(=[NH+]NCc1cccc(Cl)c1)c1cc(N)ccc1F ZINC000814868317 1130927265 /nfs/dbraw/zinc/92/72/65/1130927265.db2.gz ZYUKECRSYIRSFR-UHFFFAOYSA-N 1 2 291.757 3.575 20 30 CHEDLO CCC(=[NH+]Nc1ccc([N+](=O)[O-])cc1C)c1cccc(N)c1 ZINC000814930968 1130939059 /nfs/dbraw/zinc/93/90/59/1130939059.db2.gz ADAOEVCIAPCJHO-UHFFFAOYSA-N 1 2 298.346 3.712 20 30 CHEDLO CC(=[NH+]Nc1cc(Cl)cc(Cl)c1)c1ccc(N)nc1 ZINC000814913368 1130941814 /nfs/dbraw/zinc/94/18/14/1130941814.db2.gz PFFSMWCRTNKEAV-UHFFFAOYSA-N 1 2 295.173 3.807 20 30 CHEDLO CC(=NNc1[nH+]ccn1C)c1ccc(F)c2ccccc12 ZINC000814918625 1130943027 /nfs/dbraw/zinc/94/30/27/1130943027.db2.gz XOXKRAKGBQSGTM-UHFFFAOYSA-N 1 2 282.322 3.549 20 30 CHEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000797785066 1131001904 /nfs/dbraw/zinc/00/19/04/1131001904.db2.gz SLGSOHSGDUZPGA-ONAJGUQWSA-N 1 2 295.382 3.946 20 30 CHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236796512 1131009825 /nfs/dbraw/zinc/00/98/25/1131009825.db2.gz PQNMGRUYLGJAKD-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236796512 1131009830 /nfs/dbraw/zinc/00/98/30/1131009830.db2.gz PQNMGRUYLGJAKD-SNVBAGLBSA-N 1 2 299.201 3.825 20 30 CHEDLO Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H](C#N)C3)cn2)c1C ZINC001236990383 1131034171 /nfs/dbraw/zinc/03/41/71/1131034171.db2.gz VCFVOVBXTXBCQG-MRXNPFEDSA-N 1 2 291.398 3.711 20 30 CHEDLO Cc1cccc(-c2ccc(C[N@H+]3CC[C@H](C#N)C3)cn2)c1C ZINC001236990383 1131034177 /nfs/dbraw/zinc/03/41/77/1131034177.db2.gz VCFVOVBXTXBCQG-MRXNPFEDSA-N 1 2 291.398 3.711 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236992907 1131034198 /nfs/dbraw/zinc/03/41/98/1131034198.db2.gz GHXAPXHIYXYHRW-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236992907 1131034202 /nfs/dbraw/zinc/03/42/02/1131034202.db2.gz GHXAPXHIYXYHRW-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)oc1C ZINC000799897664 1131114796 /nfs/dbraw/zinc/11/47/96/1131114796.db2.gz RUJDVWSXTPBEPK-BQYQJAHWSA-N 1 2 280.327 3.749 20 30 CHEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1OC(C)C ZINC001237729140 1131133594 /nfs/dbraw/zinc/13/35/94/1131133594.db2.gz YFSZHRYCOIIXLF-INIZCTEOSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1OC(C)C ZINC001237729140 1131133596 /nfs/dbraw/zinc/13/35/96/1131133596.db2.gz YFSZHRYCOIIXLF-INIZCTEOSA-N 1 2 272.392 3.518 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1cc(Cl)c(O)cc1F ZINC001238150384 1131174341 /nfs/dbraw/zinc/17/43/41/1131174341.db2.gz STYYGNWSXWRJFP-UHFFFAOYSA-N 1 2 271.763 3.973 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1cc(Cl)c(O)cc1F ZINC001238150384 1131174344 /nfs/dbraw/zinc/17/43/44/1131174344.db2.gz STYYGNWSXWRJFP-UHFFFAOYSA-N 1 2 271.763 3.973 20 30 CHEDLO CCCCCCCC[C@@H](C)C(=O)NCc1[nH]c[nH+]c1C ZINC000829492168 1131421684 /nfs/dbraw/zinc/42/16/84/1131421684.db2.gz AAOQYFKGFPJUAM-CYBMUJFWSA-N 1 2 279.428 3.721 20 30 CHEDLO CN(C)c1ccc([NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000823529135 1131430395 /nfs/dbraw/zinc/43/03/95/1131430395.db2.gz FRNOQNSKLGPURO-UHFFFAOYSA-N 1 2 257.381 3.637 20 30 CHEDLO C[NH+](C)c1ccc(NC2CCC(C)(C#N)CC2)cc1 ZINC000823529135 1131430396 /nfs/dbraw/zinc/43/03/96/1131430396.db2.gz FRNOQNSKLGPURO-UHFFFAOYSA-N 1 2 257.381 3.637 20 30 CHEDLO COc1ccc([N@H+](CCC(C)(C)C#N)CC2CC2)cc1 ZINC000831587972 1131491441 /nfs/dbraw/zinc/49/14/41/1131491441.db2.gz PIDQDIYJMKFRDZ-UHFFFAOYSA-N 1 2 272.392 3.851 20 30 CHEDLO COc1ccc([N@@H+](CCC(C)(C)C#N)CC2CC2)cc1 ZINC000831587972 1131491443 /nfs/dbraw/zinc/49/14/43/1131491443.db2.gz PIDQDIYJMKFRDZ-UHFFFAOYSA-N 1 2 272.392 3.851 20 30 CHEDLO N#CCC1C[NH+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143803806 1131535087 /nfs/dbraw/zinc/53/50/87/1131535087.db2.gz BDMZQVYZNYSZEM-UHFFFAOYSA-N 1 2 288.700 3.704 20 30 CHEDLO N#CCC1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143956384 1131558871 /nfs/dbraw/zinc/55/88/71/1131558871.db2.gz ATLQLUVOFXCOKS-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO CCCCOc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001138957998 1131565006 /nfs/dbraw/zinc/56/50/06/1131565006.db2.gz QJMUSBDWOOJTTM-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO CCCCOc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001138957998 1131565008 /nfs/dbraw/zinc/56/50/08/1131565008.db2.gz QJMUSBDWOOJTTM-QGZVFWFLSA-N 1 2 272.392 3.601 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(Cl)c(F)cc1F ZINC001144130212 1131590522 /nfs/dbraw/zinc/59/05/22/1131590522.db2.gz BETZDLPOFPOZIX-UHFFFAOYSA-N 1 2 257.711 3.792 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)nc1 ZINC001144163094 1131594003 /nfs/dbraw/zinc/59/40/03/1131594003.db2.gz LZSXXRLYAVKRCL-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)nc1 ZINC001144163094 1131594008 /nfs/dbraw/zinc/59/40/08/1131594008.db2.gz LZSXXRLYAVKRCL-QGZVFWFLSA-N 1 2 299.324 3.569 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2ccc(OC)cc2nc1Cl ZINC001139307817 1131601287 /nfs/dbraw/zinc/60/12/87/1131601287.db2.gz NYQJTMOCMJMABE-UHFFFAOYSA-N 1 2 276.767 3.515 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2ccc(OC)cc2nc1Cl ZINC001139307817 1131601289 /nfs/dbraw/zinc/60/12/89/1131601289.db2.gz NYQJTMOCMJMABE-UHFFFAOYSA-N 1 2 276.767 3.515 20 30 CHEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1C(C)C ZINC001139621922 1131623705 /nfs/dbraw/zinc/62/37/05/1131623705.db2.gz QXHQWKAYAOSPSH-OAHLLOKOSA-N 1 2 272.392 3.554 20 30 CHEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1C(C)C ZINC001139621922 1131623706 /nfs/dbraw/zinc/62/37/06/1131623706.db2.gz QXHQWKAYAOSPSH-OAHLLOKOSA-N 1 2 272.392 3.554 20 30 CHEDLO C=CCn1cc(C[N@@H+](C)[C@H](C)c2ccccc2Cl)cn1 ZINC001139771122 1131636588 /nfs/dbraw/zinc/63/65/88/1131636588.db2.gz OUGFBWWQSMHRGQ-CYBMUJFWSA-N 1 2 289.810 3.916 20 30 CHEDLO C=CCn1cc(C[N@H+](C)[C@H](C)c2ccccc2Cl)cn1 ZINC001139771122 1131636593 /nfs/dbraw/zinc/63/65/93/1131636593.db2.gz OUGFBWWQSMHRGQ-CYBMUJFWSA-N 1 2 289.810 3.916 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)c(F)c1 ZINC001140139972 1131666963 /nfs/dbraw/zinc/66/69/63/1131666963.db2.gz QYDYXSMDDVXXFY-UHFFFAOYSA-N 1 2 298.386 3.805 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)c(F)c1 ZINC001140139972 1131666964 /nfs/dbraw/zinc/66/69/64/1131666964.db2.gz QYDYXSMDDVXXFY-UHFFFAOYSA-N 1 2 298.386 3.805 20 30 CHEDLO CCCCCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000834701529 1131695666 /nfs/dbraw/zinc/69/56/66/1131695666.db2.gz DUKVWGSIVDMBLY-MRXNPFEDSA-N 1 2 290.386 3.593 20 30 CHEDLO CCCCCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000834701529 1131695668 /nfs/dbraw/zinc/69/56/68/1131695668.db2.gz DUKVWGSIVDMBLY-MRXNPFEDSA-N 1 2 290.386 3.593 20 30 CHEDLO CCCCCCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246596940 1131711414 /nfs/dbraw/zinc/71/14/14/1131711414.db2.gz ZRJFSSFYMBREQK-IRXDYDNUSA-N 1 2 279.472 3.703 20 30 CHEDLO C#CCCOc1ccc(CNc2ccc(C)[nH+]c2C)cc1 ZINC000772943475 1131716625 /nfs/dbraw/zinc/71/66/25/1131716625.db2.gz OPOZMHDQBPOCPS-UHFFFAOYSA-N 1 2 280.371 3.713 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1coc(CC)n1)c1ccco1 ZINC000834896786 1131721353 /nfs/dbraw/zinc/72/13/53/1131721353.db2.gz CTEZHUQFQLDHPZ-CYBMUJFWSA-N 1 2 260.337 3.627 20 30 CHEDLO C[N@H+](Cc1ccsc1)Cc1cc(C#N)ccc1Cl ZINC001140601540 1131823510 /nfs/dbraw/zinc/82/35/10/1131823510.db2.gz SHBLPQNPZGJVGZ-UHFFFAOYSA-N 1 2 276.792 3.905 20 30 CHEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1F ZINC001140755080 1131908283 /nfs/dbraw/zinc/90/82/83/1131908283.db2.gz SINXJVXLSFWBNB-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1F ZINC001140755080 1131908286 /nfs/dbraw/zinc/90/82/86/1131908286.db2.gz SINXJVXLSFWBNB-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141210509 1132043798 /nfs/dbraw/zinc/04/37/98/1132043798.db2.gz SEDIWPAJQMZELE-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141210509 1132043805 /nfs/dbraw/zinc/04/38/05/1132043805.db2.gz SEDIWPAJQMZELE-GOSISDBHSA-N 1 2 295.361 3.623 20 30 CHEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171918686 1132110335 /nfs/dbraw/zinc/11/03/35/1132110335.db2.gz MQSKFPVWCVBKAL-MQBCKMQZSA-N 1 2 294.439 3.559 20 30 CHEDLO CCCCCC[C@@H](CCC)[NH2+][C@@H](CS)C(=O)OCC ZINC001172379057 1132169886 /nfs/dbraw/zinc/16/98/86/1132169886.db2.gz QGGOMBUUFVQBOU-KGLIPLIRSA-N 1 2 289.485 3.577 20 30 CHEDLO C[C@H](CCCC#N)[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172507984 1132252734 /nfs/dbraw/zinc/25/27/34/1132252734.db2.gz AKTWPMXBYZBEHL-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@H](CCCC#N)[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001172507984 1132252739 /nfs/dbraw/zinc/25/27/39/1132252739.db2.gz AKTWPMXBYZBEHL-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO CCCCCCC[C@H](CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001172503682 1132252751 /nfs/dbraw/zinc/25/27/51/1132252751.db2.gz ZQPYLHVRBJXSQD-KBPBESRZSA-N 1 2 289.485 3.577 20 30 CHEDLO C=CC[C@H](C=C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083922 1132255063 /nfs/dbraw/zinc/25/50/63/1132255063.db2.gz PPHWTZPBIDKAMH-AWEZNQCLSA-N 1 2 254.333 3.597 20 30 CHEDLO CCCCCC[C@H](CCCC)[NH2+][C@@H](CS)C(=O)OC ZINC001172516676 1132260668 /nfs/dbraw/zinc/26/06/68/1132260668.db2.gz KWTLDIZRHXUCDD-KBPBESRZSA-N 1 2 289.485 3.577 20 30 CHEDLO O=C1C=C2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2S1 ZINC001172555580 1132266364 /nfs/dbraw/zinc/26/63/64/1132266364.db2.gz ARTOOBHRKZFITQ-OIISXLGYSA-N 1 2 299.439 3.597 20 30 CHEDLO O=C1C=C2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2S1 ZINC001172555580 1132266368 /nfs/dbraw/zinc/26/63/68/1132266368.db2.gz ARTOOBHRKZFITQ-OIISXLGYSA-N 1 2 299.439 3.597 20 30 CHEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCC[C@H]1CCOC1 ZINC000840708686 1132273002 /nfs/dbraw/zinc/27/30/02/1132273002.db2.gz DAGZOMXEXOPEHS-YQNUULROSA-N 1 2 283.371 3.781 20 30 CHEDLO N#CCC1C[NH+](Cc2ccc(F)c(Oc3ccccc3)c2)C1 ZINC001231537513 1132316239 /nfs/dbraw/zinc/31/62/39/1132316239.db2.gz ZPVNIFGIAJCBGX-UHFFFAOYSA-N 1 2 296.345 3.963 20 30 CHEDLO C#Cc1cccc(C[N@@H+]2CCc3c4ccccc4oc3C2)c1 ZINC001231660547 1132339128 /nfs/dbraw/zinc/33/91/28/1132339128.db2.gz HVBMFSIPBMHWCU-UHFFFAOYSA-N 1 2 287.362 3.972 20 30 CHEDLO C#Cc1cccc(C[N@H+]2CCc3c4ccccc4oc3C2)c1 ZINC001231660547 1132339136 /nfs/dbraw/zinc/33/91/36/1132339136.db2.gz HVBMFSIPBMHWCU-UHFFFAOYSA-N 1 2 287.362 3.972 20 30 CHEDLO C#Cc1cccc(C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001231660576 1132339197 /nfs/dbraw/zinc/33/91/97/1132339197.db2.gz IGAJIIQYWAUHOD-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO C#Cc1cccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001231660576 1132339203 /nfs/dbraw/zinc/33/92/03/1132339203.db2.gz IGAJIIQYWAUHOD-UHFFFAOYSA-N 1 2 267.759 3.837 20 30 CHEDLO Cc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1OC(C)C ZINC001232394308 1132464183 /nfs/dbraw/zinc/46/41/83/1132464183.db2.gz MZKABBRLXWRYRR-KRWDZBQOSA-N 1 2 272.392 3.518 20 30 CHEDLO Cc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1OC(C)C ZINC001232394308 1132464186 /nfs/dbraw/zinc/46/41/86/1132464186.db2.gz MZKABBRLXWRYRR-KRWDZBQOSA-N 1 2 272.392 3.518 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(C)c(F)c1 ZINC001232423795 1132468877 /nfs/dbraw/zinc/46/88/77/1132468877.db2.gz XHNNHODMNIDLOX-UHFFFAOYSA-N 1 2 266.335 3.789 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(C)c(F)c1 ZINC001232423795 1132468881 /nfs/dbraw/zinc/46/88/81/1132468881.db2.gz XHNNHODMNIDLOX-UHFFFAOYSA-N 1 2 266.335 3.789 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001232679840 1132504396 /nfs/dbraw/zinc/50/43/96/1132504396.db2.gz SYXROAJDBPYXJC-QGZVFWFLSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001232679840 1132504403 /nfs/dbraw/zinc/50/44/03/1132504403.db2.gz SYXROAJDBPYXJC-QGZVFWFLSA-N 1 2 296.345 3.740 20 30 CHEDLO CC1(C#N)C[NH+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173688405 1132510236 /nfs/dbraw/zinc/51/02/36/1132510236.db2.gz SOPPEDNKIHOYNS-UHFFFAOYSA-N 1 2 280.415 3.659 20 30 CHEDLO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC001232892647 1132538195 /nfs/dbraw/zinc/53/81/95/1132538195.db2.gz CMQIIMAQYRHREM-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC001232892647 1132538203 /nfs/dbraw/zinc/53/82/03/1132538203.db2.gz CMQIIMAQYRHREM-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO Cc1ccc(Nc2ccc(F)c(C#N)c2F)c(C)[nH+]1 ZINC001203375384 1132577357 /nfs/dbraw/zinc/57/73/57/1132577357.db2.gz WWLSJBWWJIKFJQ-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C=CCN(C(=O)c1c[nH]c2cc[nH+]cc12)C1CCCCC1 ZINC001152977375 1132587831 /nfs/dbraw/zinc/58/78/31/1132587831.db2.gz PJEXOOPVZDVHKY-UHFFFAOYSA-N 1 2 283.375 3.524 20 30 CHEDLO C=CCN(c1nc(C)[nH+]c2c1CCC2)C1CCCCC1 ZINC001157850002 1132749233 /nfs/dbraw/zinc/74/92/33/1132749233.db2.gz CNCGHHOPCNYZQO-UHFFFAOYSA-N 1 2 271.408 3.599 20 30 CHEDLO Cc1ccc([C@H](C)Nc2[nH+]ccc3ccc(C#N)cc32)nc1 ZINC001158012576 1132760225 /nfs/dbraw/zinc/76/02/25/1132760225.db2.gz BNYDJVPTTUXEOW-ZDUSSCGKSA-N 1 2 288.354 3.983 20 30 CHEDLO CCSc1cc[nH+]c(NCc2ccc(C#N)c(F)c2)c1 ZINC001159086974 1132806219 /nfs/dbraw/zinc/80/62/19/1132806219.db2.gz OPKGGSHBHVHYJN-UHFFFAOYSA-N 1 2 287.363 3.816 20 30 CHEDLO N#Cc1ccsc1N=C1CCC[N@H+](Cc2ccccc2)C1 ZINC001174392866 1132808507 /nfs/dbraw/zinc/80/85/07/1132808507.db2.gz LAVAOEDVFQXDNG-UHFFFAOYSA-N 1 2 295.411 3.821 20 30 CHEDLO N#Cc1ccsc1N=C1CCC[N@@H+](Cc2ccccc2)C1 ZINC001174392866 1132808512 /nfs/dbraw/zinc/80/85/12/1132808512.db2.gz LAVAOEDVFQXDNG-UHFFFAOYSA-N 1 2 295.411 3.821 20 30 CHEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(C2CC2)[nH+]1 ZINC001159919083 1132924802 /nfs/dbraw/zinc/92/48/02/1132924802.db2.gz QLJHEANXMIOQQZ-MRXNPFEDSA-N 1 2 290.370 3.634 20 30 CHEDLO Cc1cccc(CNc2[nH+]ccc3ccc(C#N)cc32)c1O ZINC001160769018 1132981246 /nfs/dbraw/zinc/98/12/46/1132981246.db2.gz HDNSTEWGBMBCGD-UHFFFAOYSA-N 1 2 289.338 3.733 20 30 CHEDLO Cc1ccc(C)c(Nc2cccc3[nH+]c[nH]c32)c1C#N ZINC001213034665 1133015992 /nfs/dbraw/zinc/01/59/92/1133015992.db2.gz WLLUZAHXSCMJJM-UHFFFAOYSA-N 1 2 262.316 3.795 20 30 CHEDLO Cn1c[nH+]cc1-c1cccc(N[C@H](C#N)c2ccccc2)c1 ZINC001161721665 1133020605 /nfs/dbraw/zinc/02/06/05/1133020605.db2.gz QDQQWYMESQOSRN-QGZVFWFLSA-N 1 2 288.354 3.764 20 30 CHEDLO N#CCc1cc[nH+]c(NCCc2cccc(Cl)c2F)c1 ZINC001161985514 1133046552 /nfs/dbraw/zinc/04/65/52/1133046552.db2.gz GZDKRHNJVXERED-UHFFFAOYSA-N 1 2 289.741 3.595 20 30 CHEDLO C=CC[C@@H](Nc1cc(CC#N)cc[nH+]1)c1ccccc1 ZINC001162906202 1133121156 /nfs/dbraw/zinc/12/11/56/1133121156.db2.gz ZEOLFKRKWULIRI-MRXNPFEDSA-N 1 2 263.344 3.877 20 30 CHEDLO C#C[C@@H](Nc1cc(CC)[nH+]c(CC)n1)c1ccc(F)cc1 ZINC001163363723 1133145199 /nfs/dbraw/zinc/14/51/99/1133145199.db2.gz MCVUPANNIUHSTG-OAHLLOKOSA-N 1 2 283.350 3.527 20 30 CHEDLO Cc1[nH+]c2ccc(NC3=CC(=O)CCC3)cc2n1C(C)C ZINC001163458103 1133151022 /nfs/dbraw/zinc/15/10/22/1133151022.db2.gz SMIUIMAXVZEDFJ-UHFFFAOYSA-N 1 2 283.375 3.974 20 30 CHEDLO C#C[C@@H](Nc1cc(C)[nH+]c(C2CCC2)n1)c1ccccc1 ZINC001163583859 1133161221 /nfs/dbraw/zinc/16/12/21/1133161221.db2.gz SFCDSUNAZNZTJG-MRXNPFEDSA-N 1 2 277.371 3.839 20 30 CHEDLO CC(C)c1ccc(N2CCc3cc(C#N)ccc3C2)[nH+]c1 ZINC001164481643 1133221934 /nfs/dbraw/zinc/22/19/34/1133221934.db2.gz GNRQOGRGIFBJSG-UHFFFAOYSA-N 1 2 277.371 3.639 20 30 CHEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166539709 1133269272 /nfs/dbraw/zinc/26/92/72/1133269272.db2.gz PWSFVVBOBNEWHE-UHFFFAOYSA-N 1 2 298.349 3.615 20 30 CHEDLO C[C@@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)[C@H]1C ZINC001166609237 1133273824 /nfs/dbraw/zinc/27/38/24/1133273824.db2.gz HBWQRJUNWROMOW-OLZOCXBDSA-N 1 2 265.360 3.731 20 30 CHEDLO C#C[C@H]1CCCN(c2cc(C)c3cccc(C)c3[nH+]2)C1 ZINC001167005638 1133299027 /nfs/dbraw/zinc/29/90/27/1133299027.db2.gz FEIVMUPXMDQCRE-HNNXBMFYSA-N 1 2 264.372 3.701 20 30 CHEDLO Cc1ccc(Nc2c(C)cc(C#N)cc2C)c(C)[nH+]1 ZINC001203374390 1133319672 /nfs/dbraw/zinc/31/96/72/1133319672.db2.gz JBKQIYZXEFWRSA-UHFFFAOYSA-N 1 2 251.333 3.931 20 30 CHEDLO Cc1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)ccc1C#N ZINC001203426966 1133326725 /nfs/dbraw/zinc/32/67/25/1133326725.db2.gz CBMWFOWFJLBWDO-KRWDZBQOSA-N 1 2 286.325 3.806 20 30 CHEDLO CCCCCCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001204366758 1133441080 /nfs/dbraw/zinc/44/10/80/1133441080.db2.gz NVRUUGPUSRLAKN-QGZVFWFLSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCCCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001204366758 1133441083 /nfs/dbraw/zinc/44/10/83/1133441083.db2.gz NVRUUGPUSRLAKN-QGZVFWFLSA-N 1 2 286.419 3.991 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1sccc1Cl)CC2 ZINC001205320426 1133560254 /nfs/dbraw/zinc/56/02/54/1133560254.db2.gz YJBFTDBKSDXEFX-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1sccc1Cl)CC2 ZINC001205320426 1133560256 /nfs/dbraw/zinc/56/02/56/1133560256.db2.gz YJBFTDBKSDXEFX-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C#CC[N@@H+](Cc1cnc(CC(C)C)s1)Cc1ccccc1 ZINC001205741154 1133608857 /nfs/dbraw/zinc/60/88/57/1133608857.db2.gz UHBMDHNBHCLUPL-UHFFFAOYSA-N 1 2 298.455 3.977 20 30 CHEDLO C#CC[N@H+](Cc1cnc(CC(C)C)s1)Cc1ccccc1 ZINC001205741154 1133608862 /nfs/dbraw/zinc/60/88/62/1133608862.db2.gz UHBMDHNBHCLUPL-UHFFFAOYSA-N 1 2 298.455 3.977 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@H+](C/C=C\c1ccc(F)c(F)c1)C2 ZINC001206456634 1133704266 /nfs/dbraw/zinc/70/42/66/1133704266.db2.gz OFDADSNTEKSXOZ-UPHRSURJSA-N 1 2 296.320 3.865 20 30 CHEDLO N#Cc1ccc2c(c1)C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C2 ZINC001206456634 1133704271 /nfs/dbraw/zinc/70/42/71/1133704271.db2.gz OFDADSNTEKSXOZ-UPHRSURJSA-N 1 2 296.320 3.865 20 30 CHEDLO O=C1C=C2C[N@@H+](CCCC3CCCCC3)CC[C@H]2S1 ZINC001207607257 1133828549 /nfs/dbraw/zinc/82/85/49/1133828549.db2.gz MRXSPLYGORTBHG-OAHLLOKOSA-N 1 2 279.449 3.621 20 30 CHEDLO O=C1C=C2C[N@H+](CCCC3CCCCC3)CC[C@H]2S1 ZINC001207607257 1133828556 /nfs/dbraw/zinc/82/85/56/1133828556.db2.gz MRXSPLYGORTBHG-OAHLLOKOSA-N 1 2 279.449 3.621 20 30 CHEDLO C=CCCCCCCCCC[N@@H+]1CCCC(=O)C1 ZINC001207898646 1133857470 /nfs/dbraw/zinc/85/74/70/1133857470.db2.gz BYPKPGBNIGGUIN-UHFFFAOYSA-N 1 2 251.414 3.958 20 30 CHEDLO C=CCCCCCCCCC[N@H+]1CCCC(=O)C1 ZINC001207898646 1133857478 /nfs/dbraw/zinc/85/74/78/1133857478.db2.gz BYPKPGBNIGGUIN-UHFFFAOYSA-N 1 2 251.414 3.958 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ccc(Cl)c(OC)c1F ZINC001209700784 1134051432 /nfs/dbraw/zinc/05/14/32/1134051432.db2.gz MTKOSMNLOHDSIU-UHFFFAOYSA-N 1 2 269.747 3.662 20 30 CHEDLO CC1(C)CC(=O)C=C(Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC001210152170 1134157657 /nfs/dbraw/zinc/15/76/57/1134157657.db2.gz ZVTNKQJOUIGXFE-UHFFFAOYSA-N 1 2 284.403 3.972 20 30 CHEDLO N#Cc1cc(O)ccc1Nc1cccc2cc[nH+]cc21 ZINC001210230919 1134173686 /nfs/dbraw/zinc/17/36/86/1134173686.db2.gz ISHRLRMKVGLCFK-UHFFFAOYSA-N 1 2 261.284 3.556 20 30 CHEDLO CCOc1cc(Nc2cc(C)cc(C#N)c2)cc(C)[nH+]1 ZINC001210388863 1134206397 /nfs/dbraw/zinc/20/63/97/1134206397.db2.gz TZSYYDAUXUXHNE-UHFFFAOYSA-N 1 2 267.332 3.712 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001210497459 1134229723 /nfs/dbraw/zinc/22/97/23/1134229723.db2.gz BHLYNSSNNIENPT-UHFFFAOYSA-N 1 2 292.386 3.996 20 30 CHEDLO Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(C#N)c1 ZINC001210566354 1134251213 /nfs/dbraw/zinc/25/12/13/1134251213.db2.gz ZSJRPSRMKJDCSH-UHFFFAOYSA-N 1 2 282.734 3.911 20 30 CHEDLO N#Cc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001210739087 1134286966 /nfs/dbraw/zinc/28/69/66/1134286966.db2.gz MMPSMVNVTASFTE-UHFFFAOYSA-N 1 2 274.327 3.547 20 30 CHEDLO COc1cc(Nc2cccc(C(C)(C)C#N)c2)cc(C)[nH+]1 ZINC001210780506 1134295117 /nfs/dbraw/zinc/29/51/17/1134295117.db2.gz BHSBPUCGIBZOKV-UHFFFAOYSA-N 1 2 281.359 3.943 20 30 CHEDLO COc1ccc(C#N)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089923 1134425795 /nfs/dbraw/zinc/42/57/95/1134425795.db2.gz LKPMRYQRPWSEDM-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO N#CCc1ccccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089868 1134425894 /nfs/dbraw/zinc/42/58/94/1134425894.db2.gz IRMDZHBKUVQWJW-UHFFFAOYSA-N 1 2 274.327 3.886 20 30 CHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1F ZINC001213089117 1134426041 /nfs/dbraw/zinc/42/60/41/1134426041.db2.gz VBWVSJAQVGZZMQ-UHFFFAOYSA-N 1 2 278.290 3.831 20 30 CHEDLO N#Cc1c(F)ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1F ZINC001213090200 1134426096 /nfs/dbraw/zinc/42/60/96/1134426096.db2.gz ZMWRQRNJHFPPTF-UHFFFAOYSA-N 1 2 296.280 3.970 20 30 CHEDLO Cc1c[nH+]cc(Nc2c(Cl)cccc2C#N)c1C ZINC001213530664 1134461417 /nfs/dbraw/zinc/46/14/17/1134461417.db2.gz JYEAUYRTBFBRPT-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1cn2cccc(Nc3c(C)cc(C#N)cc3C)c2[nH+]1 ZINC001215645486 1134655162 /nfs/dbraw/zinc/65/51/62/1134655162.db2.gz OGNCTOIBBVAJSU-UHFFFAOYSA-N 1 2 276.343 3.875 20 30 CHEDLO CCc1cccc(Nc2c(C)cc(C#N)cc2C)[nH+]1 ZINC001215645879 1134655261 /nfs/dbraw/zinc/65/52/61/1134655261.db2.gz ZSPSNCUHEGEVPD-UHFFFAOYSA-N 1 2 251.333 3.876 20 30 CHEDLO Cc1cc(C#N)cc(C)c1Nc1ccc2c(c1)[nH+]cn2C ZINC001215646854 1134656229 /nfs/dbraw/zinc/65/62/29/1134656229.db2.gz JRNFTYDGBNHNIE-UHFFFAOYSA-N 1 2 276.343 3.805 20 30 CHEDLO C=CCCCCCCCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217854368 1135010028 /nfs/dbraw/zinc/01/00/28/1135010028.db2.gz GISHKCFYBZFARO-CQSZACIVSA-N 1 2 275.383 3.917 20 30 CHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1Cl ZINC000352810126 533469747 /nfs/dbraw/zinc/46/97/47/533469747.db2.gz LRHSGQIPCQMPHR-MRVPVSSYSA-N 1 2 295.770 3.658 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC000043687117 175094566 /nfs/dbraw/zinc/09/45/66/175094566.db2.gz KOVNJDCUKHLTLE-UHFFFAOYSA-N 1 2 287.226 3.635 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC000043687117 175094568 /nfs/dbraw/zinc/09/45/68/175094568.db2.gz KOVNJDCUKHLTLE-UHFFFAOYSA-N 1 2 287.226 3.635 20 30 CHEDLO N#Cc1cccc(OCC[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347406298 226147390 /nfs/dbraw/zinc/14/73/90/226147390.db2.gz ASKUDKZBYRANBF-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO N#Cc1cccc(OCC[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347406298 226147391 /nfs/dbraw/zinc/14/73/91/226147391.db2.gz ASKUDKZBYRANBF-UHFFFAOYSA-N 1 2 298.773 3.606 20 30 CHEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nc(C(C)C)no1 ZINC000298300471 260149574 /nfs/dbraw/zinc/14/95/74/260149574.db2.gz GJSPLQPNCDDULM-CQSZACIVSA-N 1 2 285.391 3.942 20 30 CHEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nc(C(C)C)no1 ZINC000298300471 260149576 /nfs/dbraw/zinc/14/95/76/260149576.db2.gz GJSPLQPNCDDULM-CQSZACIVSA-N 1 2 285.391 3.942 20 30 CHEDLO Cc1cc2[nH+]cn(CCCC(C)(C)C#N)c2cc1C ZINC000087608810 260215591 /nfs/dbraw/zinc/21/55/91/260215591.db2.gz DCCAOAKMQQQOQB-UHFFFAOYSA-N 1 2 255.365 3.983 20 30 CHEDLO CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(C#N)c1 ZINC000090207949 260239277 /nfs/dbraw/zinc/23/92/77/260239277.db2.gz ISVSOAGWKKRTRG-UHFFFAOYSA-N 1 2 274.755 3.601 20 30 CHEDLO C[N@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccc(C#N)cc1 ZINC000154369689 261091171 /nfs/dbraw/zinc/09/11/71/261091171.db2.gz XUOBIWBNHBRHDY-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[N@@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccc(C#N)cc1 ZINC000154369689 261091172 /nfs/dbraw/zinc/09/11/72/261091172.db2.gz XUOBIWBNHBRHDY-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO N#CCC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000164303707 261347321 /nfs/dbraw/zinc/34/73/21/261347321.db2.gz KXAIZIZOLSUFSD-OAHLLOKOSA-N 1 2 278.359 3.811 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000184089524 262008196 /nfs/dbraw/zinc/00/81/96/262008196.db2.gz RUYNNQGIOXQINV-LLVKDONJSA-N 1 2 287.190 3.784 20 30 CHEDLO COc1cccc2c(NCC(C)(C)CC#N)cc[nH+]c12 ZINC000413408836 262763699 /nfs/dbraw/zinc/76/36/99/262763699.db2.gz NFVWMMJNEPWZKB-UHFFFAOYSA-N 1 2 269.348 3.595 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000272609598 263007667 /nfs/dbraw/zinc/00/76/67/263007667.db2.gz SFVIRUIJYJEYES-UHFFFAOYSA-N 1 2 287.388 3.529 20 30 CHEDLO CC(C)(C#N)CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000277873769 263044234 /nfs/dbraw/zinc/04/42/34/263044234.db2.gz YTWUPAVAQVYUEM-UHFFFAOYSA-N 1 2 284.407 3.517 20 30 CHEDLO CC(C)(C#N)CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000277873769 263044235 /nfs/dbraw/zinc/04/42/35/263044235.db2.gz YTWUPAVAQVYUEM-UHFFFAOYSA-N 1 2 284.407 3.517 20 30 CHEDLO Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C)[nH+]1 ZINC000279822905 263057557 /nfs/dbraw/zinc/05/75/57/263057557.db2.gz IKLOWKJYEYQQEN-UHFFFAOYSA-N 1 2 293.370 3.752 20 30 CHEDLO Cc1ccc(C)c([N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000281871304 263072524 /nfs/dbraw/zinc/07/25/24/263072524.db2.gz CGMYWUHPGLZAOS-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO Cc1ccc(C)c([N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000281871304 263072525 /nfs/dbraw/zinc/07/25/25/263072525.db2.gz CGMYWUHPGLZAOS-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO Cn1c2ccccc2[nH+]c1CCSCCC(C)(C)C#N ZINC000289382315 263109751 /nfs/dbraw/zinc/10/97/51/263109751.db2.gz KRWDLKLAECEMBF-UHFFFAOYSA-N 1 2 287.432 3.789 20 30 CHEDLO Cc1[nH+]cn(-c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)c1C ZINC000291235298 263120812 /nfs/dbraw/zinc/12/08/12/263120812.db2.gz KTYYKRNQMVMECO-RDJZCZTQSA-N 1 2 294.402 3.983 20 30 CHEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000292038491 263127593 /nfs/dbraw/zinc/12/75/93/263127593.db2.gz AFXGHLWLIXSIBO-QGZVFWFLSA-N 1 2 272.392 3.554 20 30 CHEDLO C=CC[N@H+](CCC#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000292038491 263127594 /nfs/dbraw/zinc/12/75/94/263127594.db2.gz AFXGHLWLIXSIBO-QGZVFWFLSA-N 1 2 272.392 3.554 20 30 CHEDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000296970321 263199307 /nfs/dbraw/zinc/19/93/07/263199307.db2.gz RMQNVOIZIHGUGW-ZBFHGGJFSA-N 1 2 282.391 3.599 20 30 CHEDLO Cc1ccn(-c2ccc([NH2+]CCCC(C)(C)C#N)cc2)n1 ZINC000340613886 263228039 /nfs/dbraw/zinc/22/80/39/263228039.db2.gz HKWSZMCWWVLDER-UHFFFAOYSA-N 1 2 282.391 3.923 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000299175937 263233576 /nfs/dbraw/zinc/23/35/76/263233576.db2.gz XDNCMPVLSXSCKH-VHSXEESVSA-N 1 2 254.736 3.632 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000299175937 263233577 /nfs/dbraw/zinc/23/35/77/263233577.db2.gz XDNCMPVLSXSCKH-VHSXEESVSA-N 1 2 254.736 3.632 20 30 CHEDLO C=CC[N@H+](Cc1nc2cccnc2s1)Cc1ccccc1 ZINC000341584176 263343729 /nfs/dbraw/zinc/34/37/29/263343729.db2.gz LTJQAWURXIRPJO-UHFFFAOYSA-N 1 2 295.411 3.880 20 30 CHEDLO C=CC[N@@H+](Cc1nc2cccnc2s1)Cc1ccccc1 ZINC000341584176 263343731 /nfs/dbraw/zinc/34/37/31/263343731.db2.gz LTJQAWURXIRPJO-UHFFFAOYSA-N 1 2 295.411 3.880 20 30 CHEDLO CC[C@H](C)[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331342778 264196012 /nfs/dbraw/zinc/19/60/12/264196012.db2.gz TZKOTLPDVDEXDA-CABZTGNLSA-N 1 2 263.385 3.767 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000072938963 264281360 /nfs/dbraw/zinc/28/13/60/264281360.db2.gz QBUJKMYTMLDYFU-UHFFFAOYSA-N 1 2 292.810 3.569 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cn(C)nc1C ZINC000162786561 264334848 /nfs/dbraw/zinc/33/48/48/264334848.db2.gz LJDQPFXOUWJPGI-UHFFFAOYSA-N 1 2 295.839 3.632 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cn(C)nc1C ZINC000162786561 264334849 /nfs/dbraw/zinc/33/48/49/264334849.db2.gz LJDQPFXOUWJPGI-UHFFFAOYSA-N 1 2 295.839 3.632 20 30 CHEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000367566664 267100318 /nfs/dbraw/zinc/10/03/18/267100318.db2.gz WCCVYRBDSBBXIO-UHFFFAOYSA-N 1 2 272.323 3.631 20 30 CHEDLO C=CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000367566664 267100321 /nfs/dbraw/zinc/10/03/21/267100321.db2.gz WCCVYRBDSBBXIO-UHFFFAOYSA-N 1 2 272.323 3.631 20 30 CHEDLO CCSCc1cc[nH+]c(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185872990 327849200 /nfs/dbraw/zinc/84/92/00/327849200.db2.gz PAVLMTDLEWJWJJ-GXTWGEPZSA-N 1 2 275.421 3.829 20 30 CHEDLO N#CCC[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccccc1 ZINC000413197131 328142130 /nfs/dbraw/zinc/14/21/30/328142130.db2.gz FLWNLYXBFKGCCA-HNNXBMFYSA-N 1 2 293.374 3.508 20 30 CHEDLO N#CCC[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccccc1 ZINC000413197131 328142132 /nfs/dbraw/zinc/14/21/32/328142132.db2.gz FLWNLYXBFKGCCA-HNNXBMFYSA-N 1 2 293.374 3.508 20 30 CHEDLO C=CCCC[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000343318776 328531408 /nfs/dbraw/zinc/53/14/08/328531408.db2.gz KPFQZEYVLMLXQN-LBPRGKRZSA-N 1 2 286.379 3.509 20 30 CHEDLO C=C(C)CN(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000181722408 327212824 /nfs/dbraw/zinc/21/28/24/327212824.db2.gz NFSSDEGVLMDCDI-UHFFFAOYSA-N 1 2 297.358 3.914 20 30 CHEDLO C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)C#N ZINC000560569855 327326257 /nfs/dbraw/zinc/32/62/57/327326257.db2.gz UVHNLZALUCGJGX-UHFFFAOYSA-N 1 2 288.288 3.826 20 30 CHEDLO C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)C#N ZINC000560569855 327326258 /nfs/dbraw/zinc/32/62/58/327326258.db2.gz UVHNLZALUCGJGX-UHFFFAOYSA-N 1 2 288.288 3.826 20 30 CHEDLO Cc1ccc(C#N)c(Nc2ccc([NH+]3CCCC3)cc2C)n1 ZINC000561083168 327364225 /nfs/dbraw/zinc/36/42/25/327364225.db2.gz OAKVPPAWNUSOTM-UHFFFAOYSA-N 1 2 292.386 3.914 20 30 CHEDLO C=CCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000377944997 329035523 /nfs/dbraw/zinc/03/55/23/329035523.db2.gz LLGNGWHYIUQESX-UHFFFAOYSA-N 1 2 283.375 3.988 20 30 CHEDLO CC[C@H](CC#N)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000583033023 329305443 /nfs/dbraw/zinc/30/54/43/329305443.db2.gz AWZKRHIWHKCAEC-BXUZGUMPSA-N 1 2 252.308 3.698 20 30 CHEDLO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(F)F)s1 ZINC000421866498 330099249 /nfs/dbraw/zinc/09/92/49/330099249.db2.gz BAWFUUQHBKWYKY-CQSZACIVSA-N 1 2 292.354 3.586 20 30 CHEDLO C=C(C)C[N@H+](Cc1cscn1)Cc1ccccc1 ZINC000279273017 330122870 /nfs/dbraw/zinc/12/28/70/330122870.db2.gz JKHDCSOCGJUVIU-UHFFFAOYSA-N 1 2 258.390 3.721 20 30 CHEDLO C=C(C)C[N@@H+](Cc1cscn1)Cc1ccccc1 ZINC000279273017 330122872 /nfs/dbraw/zinc/12/28/72/330122872.db2.gz JKHDCSOCGJUVIU-UHFFFAOYSA-N 1 2 258.390 3.721 20 30 CHEDLO C=C(C)C[N@H+](Cc1nccs1)Cc1ccccc1 ZINC000279326651 330123090 /nfs/dbraw/zinc/12/30/90/330123090.db2.gz OMEBPDZGKVUDHX-UHFFFAOYSA-N 1 2 258.390 3.721 20 30 CHEDLO C=C(C)C[N@@H+](Cc1nccs1)Cc1ccccc1 ZINC000279326651 330123092 /nfs/dbraw/zinc/12/30/92/330123092.db2.gz OMEBPDZGKVUDHX-UHFFFAOYSA-N 1 2 258.390 3.721 20 30 CHEDLO Cc1cc(C)c(CNc2nc(C)c(C#N)cc2Cl)c[nH+]1 ZINC000397020263 330236002 /nfs/dbraw/zinc/23/60/02/330236002.db2.gz RBEZRFPBCSGBGC-UHFFFAOYSA-N 1 2 286.766 3.539 20 30 CHEDLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(C#N)cc1F ZINC000528036432 330302906 /nfs/dbraw/zinc/30/29/06/330302906.db2.gz RVJICHSXXLEVLI-QWRGUYRKSA-N 1 2 287.313 3.643 20 30 CHEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1c(F)cccc1F ZINC000537026077 330385596 /nfs/dbraw/zinc/38/55/96/330385596.db2.gz TXLXVWYORDWMHW-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO CCC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000514932727 330468148 /nfs/dbraw/zinc/46/81/48/330468148.db2.gz KZEBVAUCFMQQEW-LRDDRELGSA-N 1 2 291.345 3.839 20 30 CHEDLO Cc1cccn2cc(CSc3cccc(F)c3C#N)[nH+]c12 ZINC000515362830 330476106 /nfs/dbraw/zinc/47/61/06/330476106.db2.gz KLUKMSAUHZNDEP-UHFFFAOYSA-N 1 2 297.358 3.946 20 30 CHEDLO C=C1CC[NH+](Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000459334623 331276521 /nfs/dbraw/zinc/27/65/21/331276521.db2.gz MFBNKWLJXCEZRH-UHFFFAOYSA-N 1 2 281.783 3.596 20 30 CHEDLO CC1(C)CCC[N@H+](CC2CCC(F)(F)CC2)[C@H]1C#N ZINC000459424184 331280906 /nfs/dbraw/zinc/28/09/06/331280906.db2.gz LCBZAIUNPFLESH-ZDUSSCGKSA-N 1 2 270.367 3.826 20 30 CHEDLO CC1(C)CCC[N@@H+](CC2CCC(F)(F)CC2)[C@H]1C#N ZINC000459424184 331280907 /nfs/dbraw/zinc/28/09/07/331280907.db2.gz LCBZAIUNPFLESH-ZDUSSCGKSA-N 1 2 270.367 3.826 20 30 CHEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459493128 331284887 /nfs/dbraw/zinc/28/48/87/331284887.db2.gz OSVVYSRGBGZGLG-AWEZNQCLSA-N 1 2 254.377 3.638 20 30 CHEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459493128 331284888 /nfs/dbraw/zinc/28/48/88/331284888.db2.gz OSVVYSRGBGZGLG-AWEZNQCLSA-N 1 2 254.377 3.638 20 30 CHEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000459698713 331294924 /nfs/dbraw/zinc/29/49/24/331294924.db2.gz REJRCBFVLZIORM-ZDUSSCGKSA-N 1 2 298.361 3.865 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000489488518 332056055 /nfs/dbraw/zinc/05/60/55/332056055.db2.gz AGQNVYRQUUTDFC-ZDUSSCGKSA-N 1 2 274.389 3.944 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000489488518 332056056 /nfs/dbraw/zinc/05/60/56/332056056.db2.gz AGQNVYRQUUTDFC-ZDUSSCGKSA-N 1 2 274.389 3.944 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000491692457 332289130 /nfs/dbraw/zinc/28/91/30/332289130.db2.gz HLFGMOKRDMUELP-MRXNPFEDSA-N 1 2 275.273 3.568 20 30 CHEDLO C=CC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000188907097 333175768 /nfs/dbraw/zinc/17/57/68/333175768.db2.gz SCHGCQYHUDQUEQ-MRXNPFEDSA-N 1 2 266.344 3.688 20 30 CHEDLO Cc1ccn2cc(CNc3cc(Cl)ccc3C#N)[nH+]c2c1 ZINC000521916511 333223189 /nfs/dbraw/zinc/22/31/89/333223189.db2.gz BGBVYTQFGPHDGP-UHFFFAOYSA-N 1 2 296.761 3.780 20 30 CHEDLO Cc1cccn2cc(COc3cc(Cl)ccc3C#N)[nH+]c12 ZINC000521949782 333225798 /nfs/dbraw/zinc/22/57/98/333225798.db2.gz NBVCCALDTJRCCL-UHFFFAOYSA-N 1 2 297.745 3.747 20 30 CHEDLO C#CC[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000192234657 333233385 /nfs/dbraw/zinc/23/33/85/333233385.db2.gz NLCOWUKFCTUDRG-UHFFFAOYSA-N 1 2 276.792 3.529 20 30 CHEDLO C#CC[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000192234657 333233386 /nfs/dbraw/zinc/23/33/86/333233386.db2.gz NLCOWUKFCTUDRG-UHFFFAOYSA-N 1 2 276.792 3.529 20 30 CHEDLO CC[N@@H+](Cc1ccc(C)cc1Cl)C[C@H](C)C#N ZINC000233466899 333352752 /nfs/dbraw/zinc/35/27/52/333352752.db2.gz CUFFDUMVIDXCEB-GFCCVEGCSA-N 1 2 250.773 3.630 20 30 CHEDLO CC[N@H+](Cc1ccc(C)cc1Cl)C[C@H](C)C#N ZINC000233466899 333352753 /nfs/dbraw/zinc/35/27/53/333352753.db2.gz CUFFDUMVIDXCEB-GFCCVEGCSA-N 1 2 250.773 3.630 20 30 CHEDLO N#CC1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000539450180 333671938 /nfs/dbraw/zinc/67/19/38/333671938.db2.gz JSGLINNIJHULPB-QGZVFWFLSA-N 1 2 280.346 3.808 20 30 CHEDLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000134429292 334090333 /nfs/dbraw/zinc/09/03/33/334090333.db2.gz GHVXCDYTKLUSRQ-UHFFFAOYSA-N 1 2 296.761 3.710 20 30 CHEDLO CC(C)COc1ccccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000549159356 334186689 /nfs/dbraw/zinc/18/66/89/334186689.db2.gz SOZQHGBUCWEQAX-OAHLLOKOSA-N 1 2 286.419 3.845 20 30 CHEDLO CC(C)COc1ccccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000549159356 334186691 /nfs/dbraw/zinc/18/66/91/334186691.db2.gz SOZQHGBUCWEQAX-OAHLLOKOSA-N 1 2 286.419 3.845 20 30 CHEDLO N#CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000551428664 334250067 /nfs/dbraw/zinc/25/00/67/334250067.db2.gz WKHXHQBENWLSAC-GJZGRUSLSA-N 1 2 262.784 3.869 20 30 CHEDLO CCOc1c(Cl)cccc1C[N@H+](C)CC(C)(C)C#N ZINC000552316633 334316347 /nfs/dbraw/zinc/31/63/47/334316347.db2.gz HPTAIJYGTQHCON-UHFFFAOYSA-N 1 2 280.799 3.720 20 30 CHEDLO CCOc1c(Cl)cccc1C[N@@H+](C)CC(C)(C)C#N ZINC000552316633 334316348 /nfs/dbraw/zinc/31/63/48/334316348.db2.gz HPTAIJYGTQHCON-UHFFFAOYSA-N 1 2 280.799 3.720 20 30 CHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000552503853 334332389 /nfs/dbraw/zinc/33/23/89/334332389.db2.gz SRIWKBDTNQBJED-CYBMUJFWSA-N 1 2 292.810 3.649 20 30 CHEDLO C[C@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)c1ccc(F)cc1 ZINC000577179956 335317220 /nfs/dbraw/zinc/31/72/20/335317220.db2.gz SWGNMFIMSSJBTN-CZUORRHYSA-N 1 2 274.383 3.943 20 30 CHEDLO C[C@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)c1ccc(F)cc1 ZINC000577179956 335317221 /nfs/dbraw/zinc/31/72/21/335317221.db2.gz SWGNMFIMSSJBTN-CZUORRHYSA-N 1 2 274.383 3.943 20 30 CHEDLO C=C[C@@](C)(CC)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000577420341 335351079 /nfs/dbraw/zinc/35/10/79/335351079.db2.gz DPCGVXKWUHQIDB-KRWDZBQOSA-N 1 2 294.358 3.776 20 30 CHEDLO CCC[N@H+](CC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000264904759 521594756 /nfs/dbraw/zinc/59/47/56/521594756.db2.gz ITDAXQPDCAPWLY-NSHDSACASA-N 1 2 252.308 3.596 20 30 CHEDLO CCC[N@@H+](CC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000264904759 521594762 /nfs/dbraw/zinc/59/47/62/521594762.db2.gz ITDAXQPDCAPWLY-NSHDSACASA-N 1 2 252.308 3.596 20 30 CHEDLO C[N@H+](Cc1csc(C(C)(C)C)n1)Cc1cccc(C#N)c1 ZINC000029723854 523525148 /nfs/dbraw/zinc/52/51/48/523525148.db2.gz NJBPADJQWVZZRM-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1cccc(C#N)c1 ZINC000029723854 523525158 /nfs/dbraw/zinc/52/51/58/523525158.db2.gz NJBPADJQWVZZRM-UHFFFAOYSA-N 1 2 299.443 3.944 20 30 CHEDLO C[C@H]1c2ccccc2C[N@H+]1Cc1cccc(C#N)c1F ZINC000340875561 525123828 /nfs/dbraw/zinc/12/38/28/525123828.db2.gz AAGHDUXZLWWYHT-LBPRGKRZSA-N 1 2 266.319 3.774 20 30 CHEDLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cccc(C#N)c1F ZINC000340875561 525123831 /nfs/dbraw/zinc/12/38/31/525123831.db2.gz AAGHDUXZLWWYHT-LBPRGKRZSA-N 1 2 266.319 3.774 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(C#N)c1F ZINC000223517772 525131377 /nfs/dbraw/zinc/13/13/77/525131377.db2.gz GCQNXSSJXXUMMU-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223517772 525131384 /nfs/dbraw/zinc/13/13/84/525131384.db2.gz GCQNXSSJXXUMMU-NSHDSACASA-N 1 2 286.375 3.878 20 30 CHEDLO Cc1cc(Nc2snc(Cl)c2C#N)ccc1[NH+](C)C ZINC000301925240 525308538 /nfs/dbraw/zinc/30/85/38/525308538.db2.gz ILQJNRIXSSOFPA-UHFFFAOYSA-N 1 2 292.795 3.786 20 30 CHEDLO C=C(C)CCc1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000347217532 526463957 /nfs/dbraw/zinc/46/39/57/526463957.db2.gz NXQIKXHOODTTCF-UHFFFAOYSA-N 1 2 294.358 3.739 20 30 CHEDLO C=CCCOCCNc1[nH+]cccc1OCc1ccccc1 ZINC000354587205 527369853 /nfs/dbraw/zinc/36/98/53/527369853.db2.gz BVSYAJAOVFPEEZ-UHFFFAOYSA-N 1 2 298.386 3.665 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1ccco1 ZINC000356093613 527449659 /nfs/dbraw/zinc/44/96/59/527449659.db2.gz OQPKAOYLIGTQAJ-OAHLLOKOSA-N 1 2 287.407 3.929 20 30 CHEDLO CC[N@@H+](Cc1cscc1C(F)(F)F)C[C@@H](C)C#N ZINC000356084855 528880650 /nfs/dbraw/zinc/88/06/50/528880650.db2.gz LTRMLJFBQLWYDT-VIFPVBQESA-N 1 2 276.327 3.748 20 30 CHEDLO CC[N@H+](Cc1cscc1C(F)(F)F)C[C@@H](C)C#N ZINC000356084855 528880653 /nfs/dbraw/zinc/88/06/53/528880653.db2.gz LTRMLJFBQLWYDT-VIFPVBQESA-N 1 2 276.327 3.748 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878187892 1125129233 /nfs/dbraw/zinc/12/92/33/1125129233.db2.gz APGMSGNLZXRLMQ-NSHDSACASA-N 1 2 273.767 3.622 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878187892 1125129236 /nfs/dbraw/zinc/12/92/36/1125129236.db2.gz APGMSGNLZXRLMQ-NSHDSACASA-N 1 2 273.767 3.622 20 30 CHEDLO C=CCOc1ccc(C[N@H+](CC)CCC#N)cc1Cl ZINC000127587997 1125347181 /nfs/dbraw/zinc/34/71/81/1125347181.db2.gz PTFRRLLVAPORRH-UHFFFAOYSA-N 1 2 278.783 3.640 20 30 CHEDLO C=CCOc1ccc(C[N@@H+](CC)CCC#N)cc1Cl ZINC000127587997 1125347182 /nfs/dbraw/zinc/34/71/82/1125347182.db2.gz PTFRRLLVAPORRH-UHFFFAOYSA-N 1 2 278.783 3.640 20 30 CHEDLO Cc1cc(C[N@H+](CCC#N)C2CCCC2)cnc1Cl ZINC001139543712 1131615897 /nfs/dbraw/zinc/61/58/97/1131615897.db2.gz HBONLYWCMKDQGO-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)cnc1Cl ZINC001139543712 1131615901 /nfs/dbraw/zinc/61/59/01/1131615901.db2.gz HBONLYWCMKDQGO-UHFFFAOYSA-N 1 2 277.799 3.702 20 30 CHEDLO C=CCCCC[N@@H+](C)Cc1c(Cl)ccnc1F ZINC001232620039 1132495969 /nfs/dbraw/zinc/49/59/69/1132495969.db2.gz KOSNMKNZVWSAGC-UHFFFAOYSA-N 1 2 256.752 3.662 20 30 CHEDLO C=CCCCC[N@H+](C)Cc1c(Cl)ccnc1F ZINC001232620039 1132495974 /nfs/dbraw/zinc/49/59/74/1132495974.db2.gz KOSNMKNZVWSAGC-UHFFFAOYSA-N 1 2 256.752 3.662 20 30 CHEDLO CCCCCCC/C=C/C[N@@H+]1CCCN(CC)CC1 ZINC001208120896 1133881117 /nfs/dbraw/zinc/88/11/17/1133881117.db2.gz VUUUGPGQKVTQKX-ZHACJKMWSA-N 1 2 266.473 3.931 20 30 CHEDLO CCCCCCC/C=C/C[N@H+]1CCCN(CC)CC1 ZINC001208120896 1133881122 /nfs/dbraw/zinc/88/11/22/1133881122.db2.gz VUUUGPGQKVTQKX-ZHACJKMWSA-N 1 2 266.473 3.931 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120582905 1125549413 /nfs/dbraw/zinc/54/94/13/1125549413.db2.gz ZPFUWBGHHUZSMD-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120582905 1125549422 /nfs/dbraw/zinc/54/94/22/1125549422.db2.gz ZPFUWBGHHUZSMD-CXAGYDPISA-N 1 2 298.411 3.582 20 30 CHEDLO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H](C#N)CCC#N ZINC000073895257 1125639905 /nfs/dbraw/zinc/63/99/05/1125639905.db2.gz HSLCZTMYXPCMOE-GFCCVEGCSA-N 1 2 295.308 3.581 20 30 CHEDLO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H](C#N)CCC#N ZINC000073895257 1125639909 /nfs/dbraw/zinc/63/99/09/1125639909.db2.gz HSLCZTMYXPCMOE-GFCCVEGCSA-N 1 2 295.308 3.581 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000161807770 1125713658 /nfs/dbraw/zinc/71/36/58/1125713658.db2.gz HTNNNAGWDBCNCW-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000161807770 1125713666 /nfs/dbraw/zinc/71/36/66/1125713666.db2.gz HTNNNAGWDBCNCW-SNVBAGLBSA-N 1 2 287.190 3.606 20 30 CHEDLO C[N@@H+](CCC#N)CCSc1cc(Cl)ccc1Cl ZINC000078637604 1125727169 /nfs/dbraw/zinc/72/71/69/1125727169.db2.gz WKNXZEDCXCGYEG-UHFFFAOYSA-N 1 2 289.231 3.931 20 30 CHEDLO C[N@H+](CCC#N)CCSc1cc(Cl)ccc1Cl ZINC000078637604 1125727174 /nfs/dbraw/zinc/72/71/74/1125727174.db2.gz WKNXZEDCXCGYEG-UHFFFAOYSA-N 1 2 289.231 3.931 20 30 CHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(N)s1 ZINC000261725565 1125740247 /nfs/dbraw/zinc/74/02/47/1125740247.db2.gz GKMSFBQRFLMCGW-UHFFFAOYSA-N 1 2 299.852 3.628 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(N)s1 ZINC000261725565 1125740254 /nfs/dbraw/zinc/74/02/54/1125740254.db2.gz GKMSFBQRFLMCGW-UHFFFAOYSA-N 1 2 299.852 3.628 20 30 CHEDLO CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC(F)F ZINC000092737526 1125761724 /nfs/dbraw/zinc/76/17/24/1125761724.db2.gz JHFLASHORYQPGB-UHFFFAOYSA-N 1 2 295.377 3.514 20 30 CHEDLO CCC[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC(F)F ZINC000092737526 1125761727 /nfs/dbraw/zinc/76/17/27/1125761727.db2.gz JHFLASHORYQPGB-UHFFFAOYSA-N 1 2 295.377 3.514 20 30 CHEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1Cl ZINC000093090436 1125763837 /nfs/dbraw/zinc/76/38/37/1125763837.db2.gz WYLPVIKGCVXKAQ-GFCCVEGCSA-N 1 2 278.783 3.639 20 30 CHEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1Cl ZINC000093090436 1125763842 /nfs/dbraw/zinc/76/38/42/1125763842.db2.gz WYLPVIKGCVXKAQ-GFCCVEGCSA-N 1 2 278.783 3.639 20 30 CHEDLO COc1ccc([N@H+](CCCC#N)CCC(C)C)cc1 ZINC000796503047 1129762848 /nfs/dbraw/zinc/76/28/48/1129762848.db2.gz GUUPCNPTHCQIIP-UHFFFAOYSA-N 1 2 260.381 3.851 20 30 CHEDLO COc1ccc([N@@H+](CCCC#N)CCC(C)C)cc1 ZINC000796503047 1129762851 /nfs/dbraw/zinc/76/28/51/1129762851.db2.gz GUUPCNPTHCQIIP-UHFFFAOYSA-N 1 2 260.381 3.851 20 30 CHEDLO C[C@H]([NH2+]CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000338400110 1126739777 /nfs/dbraw/zinc/73/97/77/1126739777.db2.gz QVCXFWBNFQOVMS-AWEZNQCLSA-N 1 2 293.370 3.503 20 30 CHEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000483072763 1126766584 /nfs/dbraw/zinc/76/65/84/1126766584.db2.gz WJHREIFMOVFGNN-SCLBCKFNSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1c1ccccc1 ZINC000483072763 1126766587 /nfs/dbraw/zinc/76/65/87/1126766587.db2.gz WJHREIFMOVFGNN-SCLBCKFNSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000176298247 1126789400 /nfs/dbraw/zinc/78/94/00/1126789400.db2.gz AXVZVHKCJKEZGY-HNNXBMFYSA-N 1 2 268.360 3.799 20 30 CHEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000176298247 1126789403 /nfs/dbraw/zinc/78/94/03/1126789403.db2.gz AXVZVHKCJKEZGY-HNNXBMFYSA-N 1 2 268.360 3.799 20 30 CHEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000483947489 1126806893 /nfs/dbraw/zinc/80/68/93/1126806893.db2.gz XWDRMNVNLJCPMC-PXNSSMCTSA-N 1 2 291.394 3.500 20 30 CHEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)[C@H](c2ccccc2)CO1 ZINC000483947489 1126806895 /nfs/dbraw/zinc/80/68/95/1126806895.db2.gz XWDRMNVNLJCPMC-PXNSSMCTSA-N 1 2 291.394 3.500 20 30 CHEDLO Cc1csc([C@H]([NH2+]Cc2ccccc2C#N)C2CC2)n1 ZINC000179093473 1126823292 /nfs/dbraw/zinc/82/32/92/1126823292.db2.gz REDNFWWQWFDPPG-OAHLLOKOSA-N 1 2 283.400 3.564 20 30 CHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271121324 1127069446 /nfs/dbraw/zinc/06/94/46/1127069446.db2.gz HYMRLUWMDXDKLK-LBPRGKRZSA-N 1 2 272.323 3.677 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000271121324 1127069447 /nfs/dbraw/zinc/06/94/47/1127069447.db2.gz HYMRLUWMDXDKLK-LBPRGKRZSA-N 1 2 272.323 3.677 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170904 1127117623 /nfs/dbraw/zinc/11/76/23/1127117623.db2.gz JJHSSOQRWXUHEE-LYRGGWFBSA-N 1 2 294.320 3.528 20 30 CHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170904 1127117627 /nfs/dbraw/zinc/11/76/27/1127117627.db2.gz JJHSSOQRWXUHEE-LYRGGWFBSA-N 1 2 294.320 3.528 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170910 1127117955 /nfs/dbraw/zinc/11/79/55/1127117955.db2.gz JJHSSOQRWXUHEE-XFBWCDHKSA-N 1 2 294.320 3.528 20 30 CHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@](F)(c3cc(F)cc(F)c3)C2)C1 ZINC000339170910 1127117956 /nfs/dbraw/zinc/11/79/56/1127117956.db2.gz JJHSSOQRWXUHEE-XFBWCDHKSA-N 1 2 294.320 3.528 20 30 CHEDLO N#CC1(F)CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000348714002 1127125111 /nfs/dbraw/zinc/12/51/11/1127125111.db2.gz XLTNPJMKVAPHOE-UHFFFAOYSA-N 1 2 293.411 3.628 20 30 CHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccccc3)n2c1 ZINC000151374575 1127133648 /nfs/dbraw/zinc/13/36/48/1127133648.db2.gz FUTLKRNTZBWLLT-CMDGGOBGSA-N 1 2 262.312 3.539 20 30 CHEDLO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000798936872 1131063257 /nfs/dbraw/zinc/06/32/57/1131063257.db2.gz MEJWDVACIACELR-ONGXEEELSA-N 1 2 255.308 3.676 20 30 CHEDLO CC(C)c1[nH+]c(C=NOC(C)(C)C)c2ccccn21 ZINC001116408372 1131142960 /nfs/dbraw/zinc/14/29/60/1131142960.db2.gz AVQVMKHHJWUWAW-UHFFFAOYSA-N 1 2 259.353 3.607 20 30 CHEDLO N#Cc1c(F)cccc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000589988662 1127243674 /nfs/dbraw/zinc/24/36/74/1127243674.db2.gz WZQNKBCGTDGHRD-UHFFFAOYSA-N 1 2 298.336 3.511 20 30 CHEDLO COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590648880 1127266592 /nfs/dbraw/zinc/26/65/92/1127266592.db2.gz IUYKQSSREOCYOF-IBGZPJMESA-N 1 2 294.398 3.974 20 30 CHEDLO COc1cc2ccccc2cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590648880 1127266594 /nfs/dbraw/zinc/26/65/94/1127266594.db2.gz IUYKQSSREOCYOF-IBGZPJMESA-N 1 2 294.398 3.974 20 30 CHEDLO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000590778702 1127272054 /nfs/dbraw/zinc/27/20/54/1127272054.db2.gz NBRKNTCVOCJASZ-UONOGXRCSA-N 1 2 264.319 3.569 20 30 CHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2c1 ZINC000591026516 1127284276 /nfs/dbraw/zinc/28/42/76/1127284276.db2.gz IUZHGOKYNKLWCP-SFHVURJKSA-N 1 2 279.387 3.669 20 30 CHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2c1 ZINC000591026516 1127284279 /nfs/dbraw/zinc/28/42/79/1127284279.db2.gz IUZHGOKYNKLWCP-SFHVURJKSA-N 1 2 279.387 3.669 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000354025296 1127286136 /nfs/dbraw/zinc/28/61/36/1127286136.db2.gz BFNQKEHVWKEQLW-NSHDSACASA-N 1 2 272.323 3.696 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000354025296 1127286137 /nfs/dbraw/zinc/28/61/37/1127286137.db2.gz BFNQKEHVWKEQLW-NSHDSACASA-N 1 2 272.323 3.696 20 30 CHEDLO N#Cc1cnccc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000592068567 1127334486 /nfs/dbraw/zinc/33/44/86/1127334486.db2.gz COKCELNGPYTJIQ-MRXNPFEDSA-N 1 2 281.359 3.664 20 30 CHEDLO N#Cc1cnccc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000592068567 1127334489 /nfs/dbraw/zinc/33/44/89/1127334489.db2.gz COKCELNGPYTJIQ-MRXNPFEDSA-N 1 2 281.359 3.664 20 30 CHEDLO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccncc1C#N ZINC000592066247 1127334729 /nfs/dbraw/zinc/33/47/29/1127334729.db2.gz UJQXDYPSJBVSOC-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccncc1C#N ZINC000592066247 1127334734 /nfs/dbraw/zinc/33/47/34/1127334734.db2.gz UJQXDYPSJBVSOC-UHFFFAOYSA-N 1 2 283.350 3.503 20 30 CHEDLO C=C(C)CCc1noc([C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000289319586 1127380737 /nfs/dbraw/zinc/38/07/37/1127380737.db2.gz YHNMXVKKTSAYFR-MRXNPFEDSA-N 1 2 285.391 3.619 20 30 CHEDLO C=C(C)CCc1noc([C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000289319586 1127380741 /nfs/dbraw/zinc/38/07/41/1127380741.db2.gz YHNMXVKKTSAYFR-MRXNPFEDSA-N 1 2 285.391 3.619 20 30 CHEDLO N#CC1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCCC1 ZINC000593649463 1127393606 /nfs/dbraw/zinc/39/36/06/1127393606.db2.gz HNBQFFVEUQGDKF-UHFFFAOYSA-N 1 2 297.427 3.984 20 30 CHEDLO CC[N@H+](CCC#N)Cc1ccc(SC(C)C)cc1 ZINC000358038302 1127397450 /nfs/dbraw/zinc/39/74/50/1127397450.db2.gz SBTGXFMNXILLSW-UHFFFAOYSA-N 1 2 262.422 3.923 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1ccc(SC(C)C)cc1 ZINC000358038302 1127397452 /nfs/dbraw/zinc/39/74/52/1127397452.db2.gz SBTGXFMNXILLSW-UHFFFAOYSA-N 1 2 262.422 3.923 20 30 CHEDLO CN(C)c1ccc(NCc2ccc(C(C)(C)C#N)cc2)c[nH+]1 ZINC000593945045 1127400240 /nfs/dbraw/zinc/40/02/40/1127400240.db2.gz FHYAZSXVRICQFZ-UHFFFAOYSA-N 1 2 294.402 3.561 20 30 CHEDLO N#Cc1ccc(CNc2c[nH+]cc3c2CCCC3)s1 ZINC000594744358 1127431171 /nfs/dbraw/zinc/43/11/71/1127431171.db2.gz YTVSRWKCIGNELC-UHFFFAOYSA-N 1 2 269.373 3.506 20 30 CHEDLO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(Cl)c1 ZINC000594994795 1127444503 /nfs/dbraw/zinc/44/45/03/1127444503.db2.gz LVSWOAGPDLBOSE-UHFFFAOYSA-N 1 2 292.810 3.912 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000595614521 1127471115 /nfs/dbraw/zinc/47/11/15/1127471115.db2.gz DDHRNTCDSRDHEX-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000595614521 1127471118 /nfs/dbraw/zinc/47/11/18/1127471118.db2.gz DDHRNTCDSRDHEX-LLVKDONJSA-N 1 2 298.308 3.553 20 30 CHEDLO N#Cc1cccc2c1C[N@H+](CCCCOc1ccccc1)C2 ZINC000593119910 1127475214 /nfs/dbraw/zinc/47/52/14/1127475214.db2.gz JUXBZPJNLBJPBL-UHFFFAOYSA-N 1 2 292.382 3.733 20 30 CHEDLO N#Cc1cccc2c1C[N@@H+](CCCCOc1ccccc1)C2 ZINC000593119910 1127475215 /nfs/dbraw/zinc/47/52/15/1127475215.db2.gz JUXBZPJNLBJPBL-UHFFFAOYSA-N 1 2 292.382 3.733 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000595839604 1127477437 /nfs/dbraw/zinc/47/74/37/1127477437.db2.gz KDNQLWZMJCDKHD-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000595839604 1127477440 /nfs/dbraw/zinc/47/74/40/1127477440.db2.gz KDNQLWZMJCDKHD-INIZCTEOSA-N 1 2 285.778 3.624 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000595844443 1127478272 /nfs/dbraw/zinc/47/82/72/1127478272.db2.gz SSKKBSDTSRKQSR-FAAWYNLUSA-N 1 2 260.768 3.589 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000595844443 1127478274 /nfs/dbraw/zinc/47/82/74/1127478274.db2.gz SSKKBSDTSRKQSR-FAAWYNLUSA-N 1 2 260.768 3.589 20 30 CHEDLO N#CC[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000596326523 1127492907 /nfs/dbraw/zinc/49/29/07/1127492907.db2.gz URXHWBARGLAHAO-GFCCVEGCSA-N 1 2 269.323 3.504 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000596994550 1127524603 /nfs/dbraw/zinc/52/46/03/1127524603.db2.gz CXEHIACYAKZYLU-GFCCVEGCSA-N 1 2 285.416 3.853 20 30 CHEDLO Cc1ncsc1-c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000596994550 1127524604 /nfs/dbraw/zinc/52/46/04/1127524604.db2.gz CXEHIACYAKZYLU-GFCCVEGCSA-N 1 2 285.416 3.853 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000597176291 1127532344 /nfs/dbraw/zinc/53/23/44/1127532344.db2.gz HJZIRHQQZOZRHE-JTQLQIEISA-N 1 2 288.338 3.893 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000597176291 1127532346 /nfs/dbraw/zinc/53/23/46/1127532346.db2.gz HJZIRHQQZOZRHE-JTQLQIEISA-N 1 2 288.338 3.893 20 30 CHEDLO CCc1cccc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)oc21 ZINC000597230711 1127535183 /nfs/dbraw/zinc/53/51/83/1127535183.db2.gz IGUCLJMWGDUQCP-QGZVFWFLSA-N 1 2 268.360 3.731 20 30 CHEDLO CCc1cccc2cc(C[N@H+]3CC[C@](C)(C#N)C3)oc21 ZINC000597230711 1127535184 /nfs/dbraw/zinc/53/51/84/1127535184.db2.gz IGUCLJMWGDUQCP-QGZVFWFLSA-N 1 2 268.360 3.731 20 30 CHEDLO CCSc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597232729 1127535906 /nfs/dbraw/zinc/53/59/06/1127535906.db2.gz WNRFWLXEISULTK-HNNXBMFYSA-N 1 2 260.406 3.534 20 30 CHEDLO CCSc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597232729 1127535908 /nfs/dbraw/zinc/53/59/08/1127535908.db2.gz WNRFWLXEISULTK-HNNXBMFYSA-N 1 2 260.406 3.534 20 30 CHEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361308548 1127555308 /nfs/dbraw/zinc/55/53/08/1127555308.db2.gz AJPHCGBAAWJEHY-OALUTQOASA-N 1 2 291.398 3.601 20 30 CHEDLO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361308548 1127555313 /nfs/dbraw/zinc/55/53/13/1127555313.db2.gz AJPHCGBAAWJEHY-OALUTQOASA-N 1 2 291.398 3.601 20 30 CHEDLO C[C@H](CCC#N)CNc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000602490032 1127585603 /nfs/dbraw/zinc/58/56/03/1127585603.db2.gz HENUIZDFVGIIQX-GFCCVEGCSA-N 1 2 288.782 3.877 20 30 CHEDLO Cc1nc2ccccc2nc1C[NH2+]CC1(C#N)CCCCC1 ZINC000602719399 1127608766 /nfs/dbraw/zinc/60/87/66/1127608766.db2.gz PPZSCTMSGUOCQB-UHFFFAOYSA-N 1 2 294.402 3.502 20 30 CHEDLO Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)on2)cc1 ZINC000602975507 1127624942 /nfs/dbraw/zinc/62/49/42/1127624942.db2.gz BYVGMCOLXCRCRG-CRAIPNDOSA-N 1 2 295.386 3.774 20 30 CHEDLO Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)on2)cc1 ZINC000602975507 1127624943 /nfs/dbraw/zinc/62/49/43/1127624943.db2.gz BYVGMCOLXCRCRG-CRAIPNDOSA-N 1 2 295.386 3.774 20 30 CHEDLO CCOc1cncc(C[N@H+](CCC#N)CC(CC)CC)c1 ZINC000598670799 1127631746 /nfs/dbraw/zinc/63/17/46/1127631746.db2.gz QRNSWIJCPKMALS-UHFFFAOYSA-N 1 2 289.423 3.632 20 30 CHEDLO CCOc1cncc(C[N@@H+](CCC#N)CC(CC)CC)c1 ZINC000598670799 1127631748 /nfs/dbraw/zinc/63/17/48/1127631748.db2.gz QRNSWIJCPKMALS-UHFFFAOYSA-N 1 2 289.423 3.632 20 30 CHEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104627 1127690825 /nfs/dbraw/zinc/69/08/25/1127690825.db2.gz UQZPPRVYWJTGEI-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000364104627 1127690828 /nfs/dbraw/zinc/69/08/28/1127690828.db2.gz UQZPPRVYWJTGEI-FZKQIMNGSA-N 1 2 295.361 3.675 20 30 CHEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000411159963 1127844955 /nfs/dbraw/zinc/84/49/55/1127844955.db2.gz ASJXAHVCYNQFMQ-NSHDSACASA-N 1 2 275.377 3.533 20 30 CHEDLO C[C@@H](CCC#N)[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000411673595 1127869714 /nfs/dbraw/zinc/86/97/14/1127869714.db2.gz LAJOCEQTRJSXAW-LBPRGKRZSA-N 1 2 285.366 3.747 20 30 CHEDLO C[C@@H](CCC#N)[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000411673595 1127869717 /nfs/dbraw/zinc/86/97/17/1127869717.db2.gz LAJOCEQTRJSXAW-LBPRGKRZSA-N 1 2 285.366 3.747 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000491737978 1128076045 /nfs/dbraw/zinc/07/60/45/1128076045.db2.gz ONGUQZBEIPABFP-HNNXBMFYSA-N 1 2 259.736 3.706 20 30 CHEDLO CC[C@@H]([NH2+]Cc1ccccc1C)c1cccc(C#N)c1O ZINC000924561069 1128104513 /nfs/dbraw/zinc/10/45/13/1128104513.db2.gz QHWWQPZSQOCNPF-QGZVFWFLSA-N 1 2 280.371 3.813 20 30 CHEDLO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925560942 1128132317 /nfs/dbraw/zinc/13/23/17/1128132317.db2.gz AJZIHJRNFWCFEV-TZMCWYRMSA-N 1 2 294.345 3.882 20 30 CHEDLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000925600669 1128133547 /nfs/dbraw/zinc/13/35/47/1128133547.db2.gz IGGHUDLWVASUGL-ZBFHGGJFSA-N 1 2 297.406 3.555 20 30 CHEDLO C[C@@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000930202097 1128306752 /nfs/dbraw/zinc/30/67/52/1128306752.db2.gz JZVXVDGIMFYARL-GFCCVEGCSA-N 1 2 283.375 3.695 20 30 CHEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)sc1C(C)(C)C ZINC000930921774 1128340758 /nfs/dbraw/zinc/34/07/58/1128340758.db2.gz HLMKXDLTYDWRSS-CYBMUJFWSA-N 1 2 291.464 3.875 20 30 CHEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)sc1C(C)(C)C ZINC000930921774 1128340763 /nfs/dbraw/zinc/34/07/63/1128340763.db2.gz HLMKXDLTYDWRSS-CYBMUJFWSA-N 1 2 291.464 3.875 20 30 CHEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156318 1128396822 /nfs/dbraw/zinc/39/68/22/1128396822.db2.gz AUYTUUZFKKSCMS-VXGBXAGGSA-N 1 2 280.318 3.585 20 30 CHEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000932156318 1128396826 /nfs/dbraw/zinc/39/68/26/1128396826.db2.gz AUYTUUZFKKSCMS-VXGBXAGGSA-N 1 2 280.318 3.585 20 30 CHEDLO Cc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917022583 1128468640 /nfs/dbraw/zinc/46/86/40/1128468640.db2.gz GCEGSXHHJOWTJA-UHFFFAOYSA-N 1 2 276.343 3.627 20 30 CHEDLO CCCCOc1ccc(C[N@H+](CC)CCC#N)cc1OC ZINC000127651924 1128481009 /nfs/dbraw/zinc/48/10/09/1128481009.db2.gz ZMYLYLUJYDPLDS-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO CCCCOc1ccc(C[N@@H+](CC)CCC#N)cc1OC ZINC000127651924 1128481010 /nfs/dbraw/zinc/48/10/10/1128481010.db2.gz ZMYLYLUJYDPLDS-UHFFFAOYSA-N 1 2 290.407 3.610 20 30 CHEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000563840486 1128481436 /nfs/dbraw/zinc/48/14/36/1128481436.db2.gz FGZLALAVZKQTFV-AWEZNQCLSA-N 1 2 275.783 3.929 20 30 CHEDLO C=C(C)C[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000563840486 1128481437 /nfs/dbraw/zinc/48/14/37/1128481437.db2.gz FGZLALAVZKQTFV-AWEZNQCLSA-N 1 2 275.783 3.929 20 30 CHEDLO Oc1ccc(/C=[NH+]\CC2CCCCCCC2)c(O)c1O ZINC000917557863 1128507637 /nfs/dbraw/zinc/50/76/37/1128507637.db2.gz DEWLICGMEDVUHO-BOPFTXTBSA-N 1 2 277.364 3.583 20 30 CHEDLO N#C[C@H]1CC=C(Nc2cc(OC(F)(F)F)cc[nH+]2)CC1 ZINC001212859135 1128636971 /nfs/dbraw/zinc/63/69/71/1128636971.db2.gz BAKFUPAZDLOXDM-VIFPVBQESA-N 1 2 283.253 3.600 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCCc2ccccc2)c1O ZINC000920943227 1128695580 /nfs/dbraw/zinc/69/55/80/1128695580.db2.gz SUGKQKSZVCQLHS-RGEXLXHISA-N 1 2 283.371 3.843 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCC2=CCCCC2)c1 ZINC000920944787 1128696436 /nfs/dbraw/zinc/69/64/36/1128696436.db2.gz KOGSMMJTFRQABR-ATVHPVEESA-N 1 2 259.349 3.710 20 30 CHEDLO CCOc1ccc(/C=[NH+]/C[C@H]2CC=CCC2)c(O)c1 ZINC000920990844 1128697092 /nfs/dbraw/zinc/69/70/92/1128697092.db2.gz GAHBMSJTDDMYGA-VLURKWGBSA-N 1 2 259.349 3.566 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCCOc1ccc(Cl)cc1 ZINC000578109414 1128707395 /nfs/dbraw/zinc/70/73/95/1128707395.db2.gz LMYRNBCGKDEBGX-UHFFFAOYSA-N 1 2 278.783 3.511 20 30 CHEDLO C=CC[N@H+](CCC#N)CCCOc1ccc(Cl)cc1 ZINC000578109414 1128707398 /nfs/dbraw/zinc/70/73/98/1128707398.db2.gz LMYRNBCGKDEBGX-UHFFFAOYSA-N 1 2 278.783 3.511 20 30 CHEDLO CNc1ccc(C#N)cc1Nc1cc(C2CC2)c[nH+]c1C ZINC001213501279 1117784981 /nfs/dbraw/zinc/78/49/81/1117784981.db2.gz QKMBFQWTISXHQQ-UHFFFAOYSA-N 1 2 278.359 3.924 20 30 CHEDLO C=CC[N@@H+](C)Cc1ccc(Cl)cc1Br ZINC000082146256 1117792148 /nfs/dbraw/zinc/79/21/48/1117792148.db2.gz UQJKIGZKSFHWFD-UHFFFAOYSA-N 1 2 274.589 3.720 20 30 CHEDLO C=CC[N@H+](C)Cc1ccc(Cl)cc1Br ZINC000082146256 1117792153 /nfs/dbraw/zinc/79/21/53/1117792153.db2.gz UQJKIGZKSFHWFD-UHFFFAOYSA-N 1 2 274.589 3.720 20 30 CHEDLO Cc1ccc(C)c(OCCC[N@H+](CC#N)C2CCCC2)c1 ZINC000610012791 1128735740 /nfs/dbraw/zinc/73/57/40/1128735740.db2.gz HUDMNFUBBBGGHL-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO Cc1ccc(C)c(OCCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000610012791 1128735741 /nfs/dbraw/zinc/73/57/41/1128735741.db2.gz HUDMNFUBBBGGHL-UHFFFAOYSA-N 1 2 286.419 3.841 20 30 CHEDLO C#CC[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000763956436 1117864740 /nfs/dbraw/zinc/86/47/40/1117864740.db2.gz NWGQPUNUVSLLKE-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C#CC[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000763956436 1117864743 /nfs/dbraw/zinc/86/47/43/1117864743.db2.gz NWGQPUNUVSLLKE-UHFFFAOYSA-N 1 2 286.762 3.593 20 30 CHEDLO C[N@H+](Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000073342230 1117984174 /nfs/dbraw/zinc/98/41/74/1117984174.db2.gz HAVKFWJMGMQCRC-UHFFFAOYSA-N 1 2 281.384 3.504 20 30 CHEDLO C[N@@H+](Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000073342230 1117984177 /nfs/dbraw/zinc/98/41/77/1117984177.db2.gz HAVKFWJMGMQCRC-UHFFFAOYSA-N 1 2 281.384 3.504 20 30 CHEDLO C=C(Cl)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120791091 1118047103 /nfs/dbraw/zinc/04/71/03/1118047103.db2.gz VIHQPFQGIQGSIN-UHFFFAOYSA-N 1 2 287.737 3.561 20 30 CHEDLO C(=[NH+]O[C@@H]1CCCCO1)c1ccc(N2CCCCC2)s1 ZINC000755822823 1118150033 /nfs/dbraw/zinc/15/00/33/1118150033.db2.gz VLCMINOELIYQAX-OAHLLOKOSA-N 1 2 294.420 3.616 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1csc(C)n1)c1ccco1 ZINC000671741956 1118330046 /nfs/dbraw/zinc/33/00/46/1118330046.db2.gz ALAXXASUDYSVRT-ZDUSSCGKSA-N 1 2 262.378 3.842 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1F ZINC000616758889 1118404432 /nfs/dbraw/zinc/40/44/32/1118404432.db2.gz HUQLKDPBTGVTTO-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1F ZINC000616758889 1118404434 /nfs/dbraw/zinc/40/44/34/1118404434.db2.gz HUQLKDPBTGVTTO-QGZVFWFLSA-N 1 2 284.309 3.783 20 30 CHEDLO C=C(CC)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684208671 1118568377 /nfs/dbraw/zinc/56/83/77/1118568377.db2.gz QNWSOGOJYAUKNR-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO C=C(CC)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684208671 1118568381 /nfs/dbraw/zinc/56/83/81/1118568381.db2.gz QNWSOGOJYAUKNR-UHFFFAOYSA-N 1 2 296.208 3.610 20 30 CHEDLO C=CCCCCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC001167461797 1118593997 /nfs/dbraw/zinc/59/39/97/1118593997.db2.gz SIYHHEJIXORWPY-INIZCTEOSA-N 1 2 293.382 3.718 20 30 CHEDLO C=CCCCCC[N@H+](C)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC001167461797 1118593998 /nfs/dbraw/zinc/59/39/98/1118593998.db2.gz SIYHHEJIXORWPY-INIZCTEOSA-N 1 2 293.382 3.718 20 30 CHEDLO CCO[C@H](CC/[NH+]=C\c1ccccc1O)C1CCCC1 ZINC000255355406 1118662637 /nfs/dbraw/zinc/66/26/37/1118662637.db2.gz LKWOKGLKZVFZCF-GFWHJHDHSA-N 1 2 275.392 3.797 20 30 CHEDLO CC[N@H+](CCC#N)Cc1cccc(Oc2ccccn2)c1 ZINC000891577837 1118713477 /nfs/dbraw/zinc/71/34/77/1118713477.db2.gz GYOUGGSGZAOALL-UHFFFAOYSA-N 1 2 281.359 3.609 20 30 CHEDLO CC[N@@H+](CCC#N)Cc1cccc(Oc2ccccn2)c1 ZINC000891577837 1118713480 /nfs/dbraw/zinc/71/34/80/1118713480.db2.gz GYOUGGSGZAOALL-UHFFFAOYSA-N 1 2 281.359 3.609 20 30 CHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C(F)F)c(F)c1 ZINC000891693213 1118744771 /nfs/dbraw/zinc/74/47/71/1118744771.db2.gz DFFFQTGDVAWHTE-UHFFFAOYSA-N 1 2 270.298 3.887 20 30 CHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C(F)F)c(F)c1 ZINC000891693213 1118744776 /nfs/dbraw/zinc/74/47/76/1118744776.db2.gz DFFFQTGDVAWHTE-UHFFFAOYSA-N 1 2 270.298 3.887 20 30 CHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1Cl ZINC000098059966 1118771262 /nfs/dbraw/zinc/77/12/62/1118771262.db2.gz SDWGZSRQKXGBPP-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1Cl ZINC000098059966 1118771264 /nfs/dbraw/zinc/77/12/64/1118771264.db2.gz SDWGZSRQKXGBPP-UHFFFAOYSA-N 1 2 288.753 3.983 20 30 CHEDLO CC[N@@H+](Cc1cc(C)c(C)cc1OC(F)F)C[C@@H](C)C#N ZINC000091984007 1118838214 /nfs/dbraw/zinc/83/82/14/1118838214.db2.gz RJMXGWHPBWTNQC-NSHDSACASA-N 1 2 296.361 3.886 20 30 CHEDLO CC[N@H+](Cc1cc(C)c(C)cc1OC(F)F)C[C@@H](C)C#N ZINC000091984007 1118838222 /nfs/dbraw/zinc/83/82/22/1118838222.db2.gz RJMXGWHPBWTNQC-NSHDSACASA-N 1 2 296.361 3.886 20 30 CHEDLO COc1ccc(O)c(/C=[NH+]\CCCOC2CCCCC2)c1 ZINC000255412908 1118860940 /nfs/dbraw/zinc/86/09/40/1118860940.db2.gz AFPGESDAUPQYJJ-AQTBWJFISA-N 1 2 291.391 3.559 20 30 CHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000127506532 1119063984 /nfs/dbraw/zinc/06/39/84/1119063984.db2.gz XGQYOWJSCZYPRN-VXGBXAGGSA-N 1 2 298.390 3.651 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1c(F)cccc1OC ZINC001167606331 1119173415 /nfs/dbraw/zinc/17/34/15/1119173415.db2.gz GRBHWEGHMJKZGI-UHFFFAOYSA-N 1 2 286.350 3.878 20 30 CHEDLO C=C1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000342938086 1119255913 /nfs/dbraw/zinc/25/59/13/1119255913.db2.gz JLPDOKNBAXXFDP-UHFFFAOYSA-N 1 2 270.401 3.962 20 30 CHEDLO CC#CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000525633265 1119275175 /nfs/dbraw/zinc/27/51/75/1119275175.db2.gz YQITYHWTKQGNFS-UHFFFAOYSA-N 1 2 296.183 3.576 20 30 CHEDLO CC#CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000525633265 1119275178 /nfs/dbraw/zinc/27/51/78/1119275178.db2.gz YQITYHWTKQGNFS-UHFFFAOYSA-N 1 2 296.183 3.576 20 30 CHEDLO N#CC1(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC000343145777 1119328925 /nfs/dbraw/zinc/32/89/25/1119328925.db2.gz CXUXMMOEHXNOTN-UHFFFAOYSA-N 1 2 294.320 3.974 20 30 CHEDLO N#CC1(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC000343145777 1119328929 /nfs/dbraw/zinc/32/89/29/1119328929.db2.gz CXUXMMOEHXNOTN-UHFFFAOYSA-N 1 2 294.320 3.974 20 30 CHEDLO Cc1cc(C#N)cc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089758 1119391012 /nfs/dbraw/zinc/39/10/12/1119391012.db2.gz CKKNAKNFJMPNON-UHFFFAOYSA-N 1 2 299.337 3.872 20 30 CHEDLO N#CCc1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000343561322 1119454409 /nfs/dbraw/zinc/45/44/09/1119454409.db2.gz FVWJRNNGWVNSJA-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO N#CCc1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000343561322 1119454410 /nfs/dbraw/zinc/45/44/10/1119454410.db2.gz FVWJRNNGWVNSJA-UHFFFAOYSA-N 1 2 298.336 3.589 20 30 CHEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000158888008 1119588655 /nfs/dbraw/zinc/58/86/55/1119588655.db2.gz YWNYHTZNEOEQTL-UHFFFAOYSA-N 1 2 276.343 3.540 20 30 CHEDLO Fc1cc(C[NH+]2CCC(S)CC2)c(F)cc1Cl ZINC001140702248 1119635381 /nfs/dbraw/zinc/63/53/81/1119635381.db2.gz KTIRGLLBIDYDKQ-UHFFFAOYSA-N 1 2 277.767 3.512 20 30 CHEDLO CCOc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255757003 1119738658 /nfs/dbraw/zinc/73/86/58/1119738658.db2.gz RHLFEXJPFFHGMR-FLIBITNWSA-N 1 2 292.338 3.629 20 30 CHEDLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161789 1119738665 /nfs/dbraw/zinc/73/86/65/1119738665.db2.gz ACEKHOKBCLOCCY-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO CC(C)Oc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161789 1119738669 /nfs/dbraw/zinc/73/86/69/1119738669.db2.gz ACEKHOKBCLOCCY-QGZVFWFLSA-N 1 2 272.392 3.599 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165183 1119738919 /nfs/dbraw/zinc/73/89/19/1119738919.db2.gz LACGUTIKZBJHNN-CZUORRHYSA-N 1 2 287.363 3.590 20 30 CHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165183 1119738923 /nfs/dbraw/zinc/73/89/23/1119738923.db2.gz LACGUTIKZBJHNN-CZUORRHYSA-N 1 2 287.363 3.590 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612406628 1119782985 /nfs/dbraw/zinc/78/29/85/1119782985.db2.gz QKHRJDKLYFKQLS-SFHVURJKSA-N 1 2 294.402 3.511 20 30 CHEDLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612406628 1119782988 /nfs/dbraw/zinc/78/29/88/1119782988.db2.gz QKHRJDKLYFKQLS-SFHVURJKSA-N 1 2 294.402 3.511 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000612406840 1119784127 /nfs/dbraw/zinc/78/41/27/1119784127.db2.gz VJTZCTUQTXLJAE-CQSZACIVSA-N 1 2 298.308 3.711 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000612406840 1119784128 /nfs/dbraw/zinc/78/41/28/1119784128.db2.gz VJTZCTUQTXLJAE-CQSZACIVSA-N 1 2 298.308 3.711 20 30 CHEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000153631858 1120115009 /nfs/dbraw/zinc/11/50/09/1120115009.db2.gz OWKMQDLYQGASTK-ZDUSSCGKSA-N 1 2 298.361 3.899 20 30 CHEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000153631858 1120115010 /nfs/dbraw/zinc/11/50/10/1120115010.db2.gz OWKMQDLYQGASTK-ZDUSSCGKSA-N 1 2 298.361 3.899 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1/C(=O)c2ccccc2[C@@H]1C ZINC000901506411 1128897010 /nfs/dbraw/zinc/89/70/10/1128897010.db2.gz LWVVPRMVXQBKPK-WIJRQFRKSA-N 1 2 266.344 3.847 20 30 CHEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccccc2C#N)sc1C ZINC000072866055 1120203403 /nfs/dbraw/zinc/20/34/03/1120203403.db2.gz QXIDOUNHXMHTQW-UHFFFAOYSA-N 1 2 285.416 3.657 20 30 CHEDLO CCC(CC)c1cc(C[NH2+]Cc2csc(C#N)c2)on1 ZINC000921785164 1120211591 /nfs/dbraw/zinc/21/15/91/1120211591.db2.gz JORLIQNWEQAQEO-UHFFFAOYSA-N 1 2 289.404 3.801 20 30 CHEDLO CC(C)[C@@H](C/[NH+]=C/c1ccccc1O)c1cccnc1 ZINC000177545099 1120218818 /nfs/dbraw/zinc/21/88/18/1120218818.db2.gz BPVPRKVISWZPAH-YDDPGSGASA-N 1 2 268.360 3.646 20 30 CHEDLO C=CCOc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000672319416 1120288670 /nfs/dbraw/zinc/28/86/70/1120288670.db2.gz PFUZJNPJBZOASP-UHFFFAOYSA-N 1 2 279.343 3.740 20 30 CHEDLO COc1ccsc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000184768218 1120361694 /nfs/dbraw/zinc/36/16/94/1120361694.db2.gz FTHYCWZHQMSCFP-AATRIKPKSA-N 1 2 298.367 3.609 20 30 CHEDLO CC1(C)CCC[N@H+](CCCCC2CCOCC2)[C@H]1C#N ZINC000499730080 1120493214 /nfs/dbraw/zinc/49/32/14/1120493214.db2.gz BGESHGOLSDZQQZ-INIZCTEOSA-N 1 2 278.440 3.597 20 30 CHEDLO CC1(C)CCC[N@@H+](CCCCC2CCOCC2)[C@H]1C#N ZINC000499730080 1120493217 /nfs/dbraw/zinc/49/32/17/1120493217.db2.gz BGESHGOLSDZQQZ-INIZCTEOSA-N 1 2 278.440 3.597 20 30 CHEDLO N#CCc1ccc(NCCc2ccc3ccccc3c2)[nH+]c1 ZINC001168726952 1120542346 /nfs/dbraw/zinc/54/23/46/1120542346.db2.gz GKFFSUDGPHMPGC-UHFFFAOYSA-N 1 2 287.366 3.955 20 30 CHEDLO Cc1ccc(NCc2ccc(F)c(C#N)c2Cl)c(C)[nH+]1 ZINC000428872655 1120545676 /nfs/dbraw/zinc/54/56/76/1120545676.db2.gz RPEFFYJCIIMJMJ-UHFFFAOYSA-N 1 2 289.741 3.975 20 30 CHEDLO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000509149494 1120674986 /nfs/dbraw/zinc/67/49/86/1120674986.db2.gz DHESGNNKKPWWBF-OAHLLOKOSA-N 1 2 283.774 3.819 20 30 CHEDLO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000509149494 1120674988 /nfs/dbraw/zinc/67/49/88/1120674988.db2.gz DHESGNNKKPWWBF-OAHLLOKOSA-N 1 2 283.774 3.819 20 30 CHEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000162856605 1120694864 /nfs/dbraw/zinc/69/48/64/1120694864.db2.gz VAOMKMNFZNVECF-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000162856605 1120694867 /nfs/dbraw/zinc/69/48/67/1120694867.db2.gz VAOMKMNFZNVECF-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C=CC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)C(C)(C)C ZINC000661756618 1120809131 /nfs/dbraw/zinc/80/91/31/1120809131.db2.gz STIASDZTQHRDJZ-ZDUSSCGKSA-N 1 2 295.427 3.590 20 30 CHEDLO C=CC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)C(C)(C)C ZINC000661756618 1120809133 /nfs/dbraw/zinc/80/91/33/1120809133.db2.gz STIASDZTQHRDJZ-ZDUSSCGKSA-N 1 2 295.427 3.590 20 30 CHEDLO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)C#N ZINC000356078712 1121284371 /nfs/dbraw/zinc/28/43/71/1121284371.db2.gz ABOLFJUJTJYBSJ-LLVKDONJSA-N 1 2 295.308 3.559 20 30 CHEDLO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)C#N ZINC000356078712 1121284375 /nfs/dbraw/zinc/28/43/75/1121284375.db2.gz ABOLFJUJTJYBSJ-LLVKDONJSA-N 1 2 295.308 3.559 20 30 CHEDLO N#Cc1cc(F)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001175685276 1121432821 /nfs/dbraw/zinc/43/28/21/1121432821.db2.gz NYTAPOAMMJLGSX-UHFFFAOYSA-N 1 2 292.317 3.686 20 30 CHEDLO Cc1cccc(C#N)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714914 1121435423 /nfs/dbraw/zinc/43/54/23/1121435423.db2.gz YWZOFRVHHOXVRP-UHFFFAOYSA-N 1 2 292.264 3.606 20 30 CHEDLO Fc1ccc(C#CC[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000676627080 1121450763 /nfs/dbraw/zinc/45/07/63/1121450763.db2.gz MNGYGSFOGIHIMI-GOSISDBHSA-N 1 2 283.321 3.763 20 30 CHEDLO Fc1ccc(C#CC[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000676627080 1121450771 /nfs/dbraw/zinc/45/07/71/1121450771.db2.gz MNGYGSFOGIHIMI-GOSISDBHSA-N 1 2 283.321 3.763 20 30 CHEDLO C[N@H+](Cc1nccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169114 1121500089 /nfs/dbraw/zinc/50/00/89/1121500089.db2.gz VBWIXMNKPCXLNW-UHFFFAOYSA-N 1 2 285.416 3.576 20 30 CHEDLO C[N@@H+](Cc1nccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169114 1121500097 /nfs/dbraw/zinc/50/00/97/1121500097.db2.gz VBWIXMNKPCXLNW-UHFFFAOYSA-N 1 2 285.416 3.576 20 30 CHEDLO C#Cc1cc(Nc2ccc(F)c3ccccc23)cc[nH+]1 ZINC001175954704 1121517057 /nfs/dbraw/zinc/51/70/57/1121517057.db2.gz ZNCPRTLPJNPCRQ-UHFFFAOYSA-N 1 2 262.287 3.521 20 30 CHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000509783560 1121577867 /nfs/dbraw/zinc/57/78/67/1121577867.db2.gz QQLXQJWJAQGAIR-LLVKDONJSA-N 1 2 290.313 3.816 20 30 CHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000509783560 1121577875 /nfs/dbraw/zinc/57/78/75/1121577875.db2.gz QQLXQJWJAQGAIR-LLVKDONJSA-N 1 2 290.313 3.816 20 30 CHEDLO CC(C)c1ccc[nH+]c1Nc1ccc(F)c(C#N)c1 ZINC001176614574 1121660534 /nfs/dbraw/zinc/66/05/34/1121660534.db2.gz OOAGOWLLHBSILO-UHFFFAOYSA-N 1 2 255.296 3.959 20 30 CHEDLO Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001176751038 1121688210 /nfs/dbraw/zinc/68/82/10/1121688210.db2.gz SWEVFIOLPVTTGD-UHFFFAOYSA-N 1 2 278.359 3.606 20 30 CHEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000397592705 1121689283 /nfs/dbraw/zinc/68/92/83/1121689283.db2.gz COMVLXHGPBEEEC-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000397592705 1121689281 /nfs/dbraw/zinc/68/92/81/1121689281.db2.gz COMVLXHGPBEEEC-SNVBAGLBSA-N 1 2 299.237 3.636 20 30 CHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000397680762 1121693620 /nfs/dbraw/zinc/69/36/20/1121693620.db2.gz INAUJPNFNSEHJR-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000397680762 1121693623 /nfs/dbraw/zinc/69/36/23/1121693623.db2.gz INAUJPNFNSEHJR-NSHDSACASA-N 1 2 266.747 3.605 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1C ZINC000730147754 1121794285 /nfs/dbraw/zinc/79/42/85/1121794285.db2.gz RWUSJZIEGOYHPI-UHFFFAOYSA-N 1 2 275.355 3.801 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(O)c(C)c1 ZINC000730148151 1121794353 /nfs/dbraw/zinc/79/43/53/1121794353.db2.gz YDALOPMHFHJOOC-UHFFFAOYSA-N 1 2 291.354 3.507 20 30 CHEDLO Cc1ccc(C=NNc2cc[nH+]c3ccccc23)c(C)c1 ZINC000730147990 1121794444 /nfs/dbraw/zinc/79/44/44/1121794444.db2.gz MAUFQJUGCHAIPW-UHFFFAOYSA-N 1 2 275.355 3.720 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(F)c1 ZINC000730148475 1121794710 /nfs/dbraw/zinc/79/47/10/1121794710.db2.gz UOWZEWNXZLDTBA-UHFFFAOYSA-N 1 2 279.318 3.632 20 30 CHEDLO C[C@H]1C[C@@H]1c1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730147770 1121794783 /nfs/dbraw/zinc/79/47/83/1121794783.db2.gz JSHTXYXIQDVTPY-WFASDCNBSA-N 1 2 291.354 3.819 20 30 CHEDLO CSc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730148098 1121794958 /nfs/dbraw/zinc/79/49/58/1121794958.db2.gz ODPHXIHEITZRRR-UHFFFAOYSA-N 1 2 293.395 3.825 20 30 CHEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccc(O)cc1 ZINC000730147430 1121795177 /nfs/dbraw/zinc/79/51/77/1121795177.db2.gz FLSWIGGTLOJJDM-UHFFFAOYSA-N 1 2 291.354 3.589 20 30 CHEDLO C(=NNc1cc[nH+]c2ccccc12)c1c[nH]c2ccccc12 ZINC000730147966 1121795276 /nfs/dbraw/zinc/79/52/76/1121795276.db2.gz LMKMXYSCGSHWTR-UHFFFAOYSA-N 1 2 286.338 3.584 20 30 CHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1F ZINC000730148498 1121795350 /nfs/dbraw/zinc/79/53/50/1121795350.db2.gz VJDFFIVPIYKELH-UHFFFAOYSA-N 1 2 279.318 3.632 20 30 CHEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCc2ccccc21 ZINC000731938517 1121897632 /nfs/dbraw/zinc/89/76/32/1121897632.db2.gz UDCNPQQUUMPHOZ-CRRKTRLDSA-N 1 2 251.329 3.541 20 30 CHEDLO C=C(Br)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000733614297 1122000875 /nfs/dbraw/zinc/00/08/75/1122000875.db2.gz KOXOIDUDJMOTGM-UHFFFAOYSA-N 1 2 288.616 3.723 20 30 CHEDLO C=C(Br)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000733614297 1122000877 /nfs/dbraw/zinc/00/08/77/1122000877.db2.gz KOXOIDUDJMOTGM-UHFFFAOYSA-N 1 2 288.616 3.723 20 30 CHEDLO COc1cc(F)cc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774387904 1122163530 /nfs/dbraw/zinc/16/35/30/1122163530.db2.gz KKZABJDQMIICRH-UHFFFAOYSA-N 1 2 299.349 3.856 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434624967 1122385241 /nfs/dbraw/zinc/38/52/41/1122385241.db2.gz SBBUUDLFNZMNCR-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434624967 1122385246 /nfs/dbraw/zinc/38/52/46/1122385246.db2.gz SBBUUDLFNZMNCR-ZDUSSCGKSA-N 1 2 296.345 3.653 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc2cc(OC)ccc2c1 ZINC000430090751 1122399636 /nfs/dbraw/zinc/39/96/36/1122399636.db2.gz PBUKTXYOHKOIND-UHFFFAOYSA-N 1 2 280.371 3.750 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc2cc(OC)ccc2c1 ZINC000430090751 1122399640 /nfs/dbraw/zinc/39/96/40/1122399640.db2.gz PBUKTXYOHKOIND-UHFFFAOYSA-N 1 2 280.371 3.750 20 30 CHEDLO C=CC[N@@H+](CCC#N)CCCc1c(F)cccc1Cl ZINC000430104963 1122402671 /nfs/dbraw/zinc/40/26/71/1122402671.db2.gz KLOKMQOWOHOOHX-UHFFFAOYSA-N 1 2 280.774 3.813 20 30 CHEDLO C=CC[N@H+](CCC#N)CCCc1c(F)cccc1Cl ZINC000430104963 1122402674 /nfs/dbraw/zinc/40/26/74/1122402674.db2.gz KLOKMQOWOHOOHX-UHFFFAOYSA-N 1 2 280.774 3.813 20 30 CHEDLO Cc1sc(Nc2cc(C)c[nH+]c2C)c(C#N)c1C ZINC001203654098 1122418984 /nfs/dbraw/zinc/41/89/84/1122418984.db2.gz DAICQFYSXHHGPA-UHFFFAOYSA-N 1 2 257.362 3.992 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(F)c(CC#N)c2)c1 ZINC001203670077 1122444625 /nfs/dbraw/zinc/44/46/25/1122444625.db2.gz ZOOUKYQZFHPPNJ-UHFFFAOYSA-N 1 2 255.296 3.647 20 30 CHEDLO C=CCC[C@H](CC)[NH2+]Cc1cccc(Br)c1O ZINC000775146776 1122445416 /nfs/dbraw/zinc/44/54/16/1122445416.db2.gz QKSQOBDIRZTRHI-LBPRGKRZSA-N 1 2 298.224 3.989 20 30 CHEDLO C=CCN(Cc1c[nH+]cn1C(C)C)Cc1ccccc1F ZINC000425329819 1122454957 /nfs/dbraw/zinc/45/49/57/1122454957.db2.gz UPDOYLJZCFNVMQ-UHFFFAOYSA-N 1 2 287.382 3.791 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000505690012 1122464711 /nfs/dbraw/zinc/46/47/11/1122464711.db2.gz LAJREUIARJOHSP-HNNXBMFYSA-N 1 2 282.387 3.630 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000505690012 1122464713 /nfs/dbraw/zinc/46/47/13/1122464713.db2.gz LAJREUIARJOHSP-HNNXBMFYSA-N 1 2 282.387 3.630 20 30 CHEDLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000775164207 1122465259 /nfs/dbraw/zinc/46/52/59/1122465259.db2.gz WPCWYIXVVANVBP-GFCCVEGCSA-N 1 2 269.348 3.520 20 30 CHEDLO CCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000514932726 1122465528 /nfs/dbraw/zinc/46/55/28/1122465528.db2.gz KZEBVAUCFMQQEW-BLLLJJGKSA-N 1 2 291.345 3.839 20 30 CHEDLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000775164242 1122465641 /nfs/dbraw/zinc/46/56/41/1122465641.db2.gz WPCWYIXVVANVBP-LBPRGKRZSA-N 1 2 269.348 3.520 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1Cl ZINC000775184055 1122471095 /nfs/dbraw/zinc/47/10/95/1122471095.db2.gz UJJGAUQTVCXLNM-QMMMGPOBSA-N 1 2 260.139 3.586 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(Cl)c1Cl ZINC000775184055 1122471096 /nfs/dbraw/zinc/47/10/96/1122471096.db2.gz UJJGAUQTVCXLNM-QMMMGPOBSA-N 1 2 260.139 3.586 20 30 CHEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000775184469 1122471162 /nfs/dbraw/zinc/47/11/62/1122471162.db2.gz WIUJVRHTYIJTDN-VIFPVBQESA-N 1 2 275.701 3.812 20 30 CHEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000775184469 1122471163 /nfs/dbraw/zinc/47/11/63/1122471163.db2.gz WIUJVRHTYIJTDN-VIFPVBQESA-N 1 2 275.701 3.812 20 30 CHEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccco1)c1ccc(F)cc1 ZINC000437595482 1122642496 /nfs/dbraw/zinc/64/24/96/1122642496.db2.gz YVMHWANJMDYWFR-AWEZNQCLSA-N 1 2 286.350 3.938 20 30 CHEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccc(F)cc1 ZINC000437595482 1122642498 /nfs/dbraw/zinc/64/24/98/1122642498.db2.gz YVMHWANJMDYWFR-AWEZNQCLSA-N 1 2 286.350 3.938 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CC2)c(Cl)c1 ZINC000439439087 1122780031 /nfs/dbraw/zinc/78/00/31/1122780031.db2.gz LGFDBEOMKRLFCY-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)c(Cl)c1 ZINC000439439087 1122780035 /nfs/dbraw/zinc/78/00/35/1122780035.db2.gz LGFDBEOMKRLFCY-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1c(F)cccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000506877642 1122908904 /nfs/dbraw/zinc/90/89/04/1122908904.db2.gz WMFHOZZPDZFWRH-UHFFFAOYSA-N 1 2 296.349 3.826 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000334406015 1123007969 /nfs/dbraw/zinc/00/79/69/1123007969.db2.gz GLQQTSLBPLOZLI-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO C=C(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776090039 1123054866 /nfs/dbraw/zinc/05/48/66/1123054866.db2.gz ZULQWLQBUFEZMC-UHFFFAOYSA-N 1 2 291.753 3.988 20 30 CHEDLO CC(C)[NH2+]c1ccc(Nc2cnccc2C#N)cc1 ZINC001201488241 1123107861 /nfs/dbraw/zinc/10/78/61/1123107861.db2.gz BOGRRKMQYRESFF-UHFFFAOYSA-N 1 2 252.321 3.517 20 30 CHEDLO O=C1c2cc(F)ccc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000776192376 1123120414 /nfs/dbraw/zinc/12/04/14/1123120414.db2.gz JGPNHZILAFMDEX-RAXLEYEMSA-N 1 2 292.313 3.686 20 30 CHEDLO COc1ccc(C#N)cc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001201581799 1123127389 /nfs/dbraw/zinc/12/73/89/1123127389.db2.gz DGIIARVLQNJPCR-UHFFFAOYSA-N 1 2 298.733 3.612 20 30 CHEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000428217587 1123282383 /nfs/dbraw/zinc/28/23/83/1123282383.db2.gz KBTIGPAJWBZHFM-ACJLOTCBSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC000428217587 1123282384 /nfs/dbraw/zinc/28/23/84/1123282384.db2.gz KBTIGPAJWBZHFM-ACJLOTCBSA-N 1 2 280.346 3.890 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000852684372 1123411583 /nfs/dbraw/zinc/41/15/83/1123411583.db2.gz FSCMWTATFGZAES-AWEZNQCLSA-N 1 2 282.359 3.737 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000852684372 1123411585 /nfs/dbraw/zinc/41/15/85/1123411585.db2.gz FSCMWTATFGZAES-AWEZNQCLSA-N 1 2 282.359 3.737 20 30 CHEDLO CCCCCCCC[N@H+](C)Cc1nnc(C)s1 ZINC000852746283 1123415043 /nfs/dbraw/zinc/41/50/43/1123415043.db2.gz LEJGDMXNNNIQFF-UHFFFAOYSA-N 1 2 255.431 3.639 20 30 CHEDLO CCCCCCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000852746283 1123415044 /nfs/dbraw/zinc/41/50/44/1123415044.db2.gz LEJGDMXNNNIQFF-UHFFFAOYSA-N 1 2 255.431 3.639 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000335797374 1123431873 /nfs/dbraw/zinc/43/18/73/1123431873.db2.gz PYVLQVZHGORLFS-UHFFFAOYSA-N 1 2 299.349 3.606 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895451301 1123481675 /nfs/dbraw/zinc/48/16/75/1123481675.db2.gz VYIWTWLAMGLVLZ-SFHVURJKSA-N 1 2 293.370 3.609 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895451301 1123481676 /nfs/dbraw/zinc/48/16/76/1123481676.db2.gz VYIWTWLAMGLVLZ-SFHVURJKSA-N 1 2 293.370 3.609 20 30 CHEDLO CCc1ccc2[nH+]ccc(N3CCC[C@@H](C#N)C3)c2c1 ZINC000895647419 1123499854 /nfs/dbraw/zinc/49/98/54/1123499854.db2.gz BFCWJSGXGIBIOB-AWEZNQCLSA-N 1 2 265.360 3.537 20 30 CHEDLO C=C1CCC(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000896021178 1123542705 /nfs/dbraw/zinc/54/27/05/1123542705.db2.gz YDWYTAVMZAGFNY-UHFFFAOYSA-N 1 2 281.359 3.762 20 30 CHEDLO Cc1cc([NH+](C)C)ccc1N[C@H](C#N)C1CCCCC1 ZINC000115606057 1123620251 /nfs/dbraw/zinc/62/02/51/1123620251.db2.gz DIIOWNAECUCHNW-QGZVFWFLSA-N 1 2 271.408 3.945 20 30 CHEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1 ZINC000777036665 1123662416 /nfs/dbraw/zinc/66/24/16/1123662416.db2.gz MAADYQDXHSFXRR-LBPRGKRZSA-N 1 2 292.766 3.657 20 30 CHEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)no1 ZINC000859059687 1123681849 /nfs/dbraw/zinc/68/18/49/1123681849.db2.gz ISBBJAQRTGTVID-KRWDZBQOSA-N 1 2 281.359 3.500 20 30 CHEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)no1 ZINC000859059687 1123681850 /nfs/dbraw/zinc/68/18/50/1123681850.db2.gz ISBBJAQRTGTVID-KRWDZBQOSA-N 1 2 281.359 3.500 20 30 CHEDLO C=CC[NH+](CC=C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639450534 1123718635 /nfs/dbraw/zinc/71/86/35/1123718635.db2.gz RDWSEOGXWMLRKW-BETUJISGSA-N 1 2 289.341 3.598 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC=C(Br)C1 ZINC000281658601 1123736097 /nfs/dbraw/zinc/73/60/97/1123736097.db2.gz OIJGMYSRTNHXTB-NSHDSACASA-N 1 2 291.192 3.604 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC=C(Br)C1 ZINC000281658601 1123736100 /nfs/dbraw/zinc/73/61/00/1123736100.db2.gz OIJGMYSRTNHXTB-NSHDSACASA-N 1 2 291.192 3.604 20 30 CHEDLO N#CC(CCn1cc[nH+]c1)(c1ccccc1)c1ccccc1 ZINC000193068731 1124025798 /nfs/dbraw/zinc/02/57/98/1124025798.db2.gz IVKGVHVWAKEBKF-UHFFFAOYSA-N 1 2 287.366 3.783 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866249402 1124041335 /nfs/dbraw/zinc/04/13/35/1124041335.db2.gz JXZTWIIGQCQPIU-APPDUMDISA-N 1 2 296.345 3.741 20 30 CHEDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc(C#N)c1O ZINC000866249117 1124041671 /nfs/dbraw/zinc/04/16/71/1124041671.db2.gz HWVGRAAJPFXRDF-APPDUMDISA-N 1 2 296.345 3.741 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccc(C#N)c1O ZINC000866348775 1124055594 /nfs/dbraw/zinc/05/55/94/1124055594.db2.gz VALOVNCBUDCBNY-ZDUSSCGKSA-N 1 2 292.382 3.992 20 30 CHEDLO Cc1ccc(F)c(C[N@H+](C)CC#Cc2ccccc2)c1 ZINC000444742867 1124059091 /nfs/dbraw/zinc/05/90/91/1124059091.db2.gz HBHJLPIJVXZCEX-UHFFFAOYSA-N 1 2 267.347 3.618 20 30 CHEDLO Cc1ccc(F)c(C[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000444742867 1124059095 /nfs/dbraw/zinc/05/90/95/1124059095.db2.gz HBHJLPIJVXZCEX-UHFFFAOYSA-N 1 2 267.347 3.618 20 30 CHEDLO CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866381525 1124060209 /nfs/dbraw/zinc/06/02/09/1124060209.db2.gz MTHRHPOTBIBHTR-KCPJHIHWSA-N 1 2 290.432 3.589 20 30 CHEDLO C=CC[N@H+](Cc1cccs1)Cc1oc(CC)nc1C ZINC000428458760 1124127290 /nfs/dbraw/zinc/12/72/90/1124127290.db2.gz JDIXVANCJSEWLC-UHFFFAOYSA-N 1 2 276.405 3.795 20 30 CHEDLO C=CC[N@@H+](Cc1cccs1)Cc1oc(CC)nc1C ZINC000428458760 1124127292 /nfs/dbraw/zinc/12/72/92/1124127292.db2.gz JDIXVANCJSEWLC-UHFFFAOYSA-N 1 2 276.405 3.795 20 30 CHEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc2ccccc21 ZINC000449021483 1124639215 /nfs/dbraw/zinc/63/92/15/1124639215.db2.gz CQMKZWFXUDZSER-CYBMUJFWSA-N 1 2 268.360 3.582 20 30 CHEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc2ccccc21 ZINC000449021483 1124639219 /nfs/dbraw/zinc/63/92/19/1124639219.db2.gz CQMKZWFXUDZSER-CYBMUJFWSA-N 1 2 268.360 3.582 20 30 CHEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(C)(F)F ZINC000449415235 1124724358 /nfs/dbraw/zinc/72/43/58/1124724358.db2.gz ODOKJKJYXLQLRV-LBPRGKRZSA-N 1 2 282.334 3.502 20 30 CHEDLO CCCNc1cc(C)[nH+]c(/C=C/c2ccc(C#N)cc2)n1 ZINC001239275726 1131310138 /nfs/dbraw/zinc/31/01/38/1131310138.db2.gz XNOQMXYSNYXNIR-CMDGGOBGSA-N 1 2 278.359 3.649 20 30 CHEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(F)c3)c[nH+]c12 ZINC000125215020 1124870498 /nfs/dbraw/zinc/87/04/98/1124870498.db2.gz BUEOUHLXDAJDJM-BQYQJAHWSA-N 1 2 280.302 3.678 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529539541 1124986187 /nfs/dbraw/zinc/98/61/87/1124986187.db2.gz CBULBTYJFPFKNA-UHFFFAOYSA-N 1 2 288.338 3.893 20 30 CHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878187890 1125129414 /nfs/dbraw/zinc/12/94/14/1125129414.db2.gz APGMSGNLZXRLMQ-LLVKDONJSA-N 1 2 273.767 3.622 20 30 CHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878187890 1125129418 /nfs/dbraw/zinc/12/94/18/1125129418.db2.gz APGMSGNLZXRLMQ-LLVKDONJSA-N 1 2 273.767 3.622 20 30 CHEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127331406 1125178614 /nfs/dbraw/zinc/17/86/14/1125178614.db2.gz WFRBNFPAGNVWIT-NSHDSACASA-N 1 2 269.797 3.538 20 30 CHEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000127331406 1125178618 /nfs/dbraw/zinc/17/86/18/1125178618.db2.gz WFRBNFPAGNVWIT-NSHDSACASA-N 1 2 269.797 3.538 20 30 CHEDLO C=CC[N@@H+](Cc1ccc(C)nc1)Cc1ccccc1F ZINC000122409939 1125191167 /nfs/dbraw/zinc/19/11/67/1125191167.db2.gz MAFUTIZMXFFDDJ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@H+](Cc1ccc(C)nc1)Cc1ccccc1F ZINC000122409939 1125191170 /nfs/dbraw/zinc/19/11/70/1125191170.db2.gz MAFUTIZMXFFDDJ-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CCCC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000880389098 1125270849 /nfs/dbraw/zinc/27/08/49/1125270849.db2.gz RJPOOPVJQBRJAM-HNNXBMFYSA-N 1 2 271.364 3.565 20 30 CHEDLO C#CCCC[NH2+][C@H](c1cccc(Cl)c1)C(F)F ZINC000880534837 1125277975 /nfs/dbraw/zinc/27/79/75/1125277975.db2.gz VOCKDIRORCPYSM-GFCCVEGCSA-N 1 2 257.711 3.649 20 30 CHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170971131 1131344562 /nfs/dbraw/zinc/34/45/62/1131344562.db2.gz OAJFHYVXOQGJSU-CQSZACIVSA-N 1 2 273.326 3.970 20 30 CHEDLO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000883274707 1125390677 /nfs/dbraw/zinc/39/06/77/1125390677.db2.gz RZKRDZSDEHLMMM-AAEUAGOBSA-N 1 2 294.345 3.740 20 30 CHEDLO Cc1cc(N[C@H](C)c2ccc(C#N)c(F)c2)c[nH+]c1C ZINC000883342113 1125398926 /nfs/dbraw/zinc/39/89/26/1125398926.db2.gz KXCKTOCBCCGKTB-GFCCVEGCSA-N 1 2 269.323 3.882 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2cccnc2Cl)C2CC2)cc1 ZINC000171080385 1125401672 /nfs/dbraw/zinc/40/16/72/1125401672.db2.gz FLKZBSPMASTCAU-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2cccnc2Cl)C2CC2)cc1 ZINC000171080385 1125401677 /nfs/dbraw/zinc/40/16/77/1125401677.db2.gz FLKZBSPMASTCAU-UHFFFAOYSA-N 1 2 297.789 3.771 20 30 CHEDLO Cc1ccc2c(Nc3ccc(C#N)nc3C)cccc2[nH+]1 ZINC001212795956 1125418381 /nfs/dbraw/zinc/41/83/81/1125418381.db2.gz KXIOCLIVDJHVFC-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO COc1cccc(/C=[NH+]\CCc2cc(C)cc(C)c2)c1O ZINC000740763611 1129418829 /nfs/dbraw/zinc/41/88/29/1129418829.db2.gz MOHNDMDWVHHBFR-UNOMPAQXSA-N 1 2 283.371 3.679 20 30 CHEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093478574 1129424776 /nfs/dbraw/zinc/42/47/76/1129424776.db2.gz IAZXLCRNKWIYTK-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093478574 1129424777 /nfs/dbraw/zinc/42/47/77/1129424777.db2.gz IAZXLCRNKWIYTK-KRWDZBQOSA-N 1 2 298.411 3.502 20 30 CHEDLO Oc1ccccc1/C=[NH+]/CCc1ccc2ccccc2n1 ZINC000743538862 1129530865 /nfs/dbraw/zinc/53/08/65/1129530865.db2.gz QTIDHQWSCLPGLP-CPNJWEJPSA-N 1 2 276.339 3.602 20 30 CHEDLO C=C(Cl)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970878 1129580499 /nfs/dbraw/zinc/58/04/99/1129580499.db2.gz ZQOSAEWUZCKXNO-UHFFFAOYSA-N 1 2 277.751 3.740 20 30 CHEDLO C=C(Cl)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970878 1129580502 /nfs/dbraw/zinc/58/05/02/1129580502.db2.gz ZQOSAEWUZCKXNO-UHFFFAOYSA-N 1 2 277.751 3.740 20 30 CHEDLO C=C(C)C[N@@H+](C/C=C/Cl)Cc1cnn(C(C)C)c1 ZINC000796452634 1129728768 /nfs/dbraw/zinc/72/87/68/1129728768.db2.gz WDRGUJNTWPNNFE-AATRIKPKSA-N 1 2 267.804 3.595 20 30 CHEDLO C=C(C)C[N@H+](C/C=C/Cl)Cc1cnn(C(C)C)c1 ZINC000796452634 1129728770 /nfs/dbraw/zinc/72/87/70/1129728770.db2.gz WDRGUJNTWPNNFE-AATRIKPKSA-N 1 2 267.804 3.595 20 30 CHEDLO COc1cccc(/C=[NH+]/CCCc2cccs2)c1O ZINC000769549773 1129917117 /nfs/dbraw/zinc/91/71/17/1129917117.db2.gz VVMKJAYUSHAUGD-LFIBNONCSA-N 1 2 275.373 3.514 20 30 CHEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1N1CCCCC1)C1CC1 ZINC000769545241 1129917304 /nfs/dbraw/zinc/91/73/04/1129917304.db2.gz MWKLTZXPWLJUQT-INIZCTEOSA-N 1 2 297.446 3.801 20 30 CHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1N1CCCCC1)C1CC1 ZINC000769545241 1129917306 /nfs/dbraw/zinc/91/73/06/1129917306.db2.gz MWKLTZXPWLJUQT-INIZCTEOSA-N 1 2 297.446 3.801 20 30 CHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1ccccc1N(C)C ZINC000769570505 1129918011 /nfs/dbraw/zinc/91/80/11/1129918011.db2.gz PWCBVUJJEWNADR-UHFFFAOYSA-N 1 2 289.329 3.867 20 30 CHEDLO Cc1ccc2c(c1)C/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901465735 1129927641 /nfs/dbraw/zinc/92/76/41/1129927641.db2.gz YHIZPHMEKLXDOJ-RIYZIHGNSA-N 1 2 266.344 3.595 20 30 CHEDLO Cc1[nH]c(/C=C2/COc3ccc(C(C)C)cc3C2=O)[nH+]c1C ZINC000901465617 1129927790 /nfs/dbraw/zinc/92/77/90/1129927790.db2.gz VBTBMGIWOGGRKA-ZSOIEALJSA-N 1 2 296.370 3.809 20 30 CHEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)C2 ZINC000901473307 1129928292 /nfs/dbraw/zinc/92/82/92/1129928292.db2.gz BECWHUZYVSYEKR-RIYZIHGNSA-N 1 2 266.344 3.595 20 30 CHEDLO Cc1ccsc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901473882 1129928356 /nfs/dbraw/zinc/92/83/56/1129928356.db2.gz DVLFTJWWZSHYMW-SNAWJCMRSA-N 1 2 260.362 3.730 20 30 CHEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2cc(Cl)ccc2C1=O ZINC000901480498 1129929173 /nfs/dbraw/zinc/92/91/73/1129929173.db2.gz KDRXAXHYAHLGTQ-KPKJPENVSA-N 1 2 286.762 3.940 20 30 CHEDLO Cc1[nH]c(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)[nH+]c1C ZINC000901488801 1129930365 /nfs/dbraw/zinc/93/03/65/1129930365.db2.gz HUDXSCPIKKAIPH-GULXKOIASA-N 1 2 278.355 3.726 20 30 CHEDLO C=CC[C@@H]1[N@@H+](CC(F)(F)C(F)F)CCCC1(C)C ZINC000769954665 1129931936 /nfs/dbraw/zinc/93/19/36/1129931936.db2.gz WGENHTSKXHHDDR-JTQLQIEISA-N 1 2 267.310 3.954 20 30 CHEDLO C=CC[C@@H]1[N@H+](CC(F)(F)C(F)F)CCCC1(C)C ZINC000769954665 1129931940 /nfs/dbraw/zinc/93/19/40/1129931940.db2.gz WGENHTSKXHHDDR-JTQLQIEISA-N 1 2 267.310 3.954 20 30 CHEDLO COc1cccc2c1CC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901504873 1129932243 /nfs/dbraw/zinc/93/22/43/1129932243.db2.gz PFZHRGBLWZQZHP-LCYFTJDESA-N 1 2 296.370 3.685 20 30 CHEDLO CCn1c[nH+]cc1/C=C1\CCc2ccc(SC)cc2C1=O ZINC000901522558 1129933059 /nfs/dbraw/zinc/93/30/59/1129933059.db2.gz HOYJKHAJPMMNBZ-MDWZMJQESA-N 1 2 298.411 3.837 20 30 CHEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cccc(C(C)C)c1 ZINC000901543033 1129935476 /nfs/dbraw/zinc/93/54/76/1129935476.db2.gz JVZMCFRKBQOEFZ-CMDGGOBGSA-N 1 2 268.360 3.923 20 30 CHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785999596 1130072540 /nfs/dbraw/zinc/07/25/40/1130072540.db2.gz WRNWNEBNCWLMGW-CYBMUJFWSA-N 1 2 280.755 3.789 20 30 CHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785999596 1130072546 /nfs/dbraw/zinc/07/25/46/1130072546.db2.gz WRNWNEBNCWLMGW-CYBMUJFWSA-N 1 2 280.755 3.789 20 30 CHEDLO CC[C@@H](Nc1cc(COC)cc[nH+]1)c1cccc(C#N)c1 ZINC000903043280 1130103856 /nfs/dbraw/zinc/10/38/56/1130103856.db2.gz UQNVQUNVXUNYTP-MRXNPFEDSA-N 1 2 281.359 3.663 20 30 CHEDLO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(Cl)c1O ZINC000903101114 1130112187 /nfs/dbraw/zinc/11/21/87/1130112187.db2.gz ABFHHNCCZOKMKO-GFCCVEGCSA-N 1 2 266.772 3.636 20 30 CHEDLO N#CC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCC1 ZINC000903109291 1130115025 /nfs/dbraw/zinc/11/50/25/1130115025.db2.gz MMZAKSVBNKRXGQ-OAHLLOKOSA-N 1 2 286.423 3.705 20 30 CHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903220736 1130132572 /nfs/dbraw/zinc/13/25/72/1130132572.db2.gz NQCAJJOLCKCDMK-ZDUSSCGKSA-N 1 2 290.794 3.619 20 30 CHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)on2)c1 ZINC000788642020 1130199023 /nfs/dbraw/zinc/19/90/23/1130199023.db2.gz GQYZPQJBAXYRBS-ZFWWWQNUSA-N 1 2 299.374 3.515 20 30 CHEDLO N#CCc1cc2ccccc2nc1-c1ccc2[nH+]ccn2c1 ZINC001240216341 1130235065 /nfs/dbraw/zinc/23/50/65/1130235065.db2.gz FUXOIIKYRATEGB-UHFFFAOYSA-N 1 2 284.322 3.616 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccs3)n21 ZINC000748994888 1130258461 /nfs/dbraw/zinc/25/84/61/1130258461.db2.gz UNBWTHIQNZPIFE-BQYQJAHWSA-N 1 2 268.341 3.600 20 30 CHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(F)c(F)c3)n21 ZINC000748997199 1130259012 /nfs/dbraw/zinc/25/90/12/1130259012.db2.gz AVAKJWKJFYOWHE-VURMDHGXSA-N 1 2 298.292 3.817 20 30 CHEDLO O=C1c2c([nH]c3ccc(Cl)cc32)CC/C1=C/c1[nH]cc[nH+]1 ZINC000790604461 1130322289 /nfs/dbraw/zinc/32/22/89/1130322289.db2.gz VFEYWRNVIPSYTE-CLFYSBASSA-N 1 2 297.745 3.757 20 30 CHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000678537126 1130425644 /nfs/dbraw/zinc/42/56/44/1130425644.db2.gz HPPYXNSYKOIHOP-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO C=CC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000678537126 1130425648 /nfs/dbraw/zinc/42/56/48/1130425648.db2.gz HPPYXNSYKOIHOP-UHFFFAOYSA-N 1 2 289.766 3.540 20 30 CHEDLO COc1cccc2[nH+]c(NCc3ccc(C#N)s3)ccc21 ZINC001170199834 1130462596 /nfs/dbraw/zinc/46/25/96/1130462596.db2.gz ZYOOJKNJNIZYAT-UHFFFAOYSA-N 1 2 295.367 3.789 20 30 CHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(F)c2Cl)C1 ZINC001137358359 1130478649 /nfs/dbraw/zinc/47/86/49/1130478649.db2.gz KMJLZNSVEVCLEB-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)ccc(F)c2Cl)C1 ZINC001137358359 1130478652 /nfs/dbraw/zinc/47/86/52/1130478652.db2.gz KMJLZNSVEVCLEB-JTQLQIEISA-N 1 2 286.177 3.978 20 30 CHEDLO CC(C)(S)CNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001170306874 1130482887 /nfs/dbraw/zinc/48/28/87/1130482887.db2.gz FBKOVUBTPDPLNV-UHFFFAOYSA-N 1 2 276.449 3.506 20 30 CHEDLO CC(C)(S)C[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001170306874 1130482890 /nfs/dbraw/zinc/48/28/90/1130482890.db2.gz FBKOVUBTPDPLNV-UHFFFAOYSA-N 1 2 276.449 3.506 20 30 CHEDLO Cc1cccc(F)c1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792642305 1130486109 /nfs/dbraw/zinc/48/61/09/1130486109.db2.gz LZGKILCYMBRGQQ-UHFFFAOYSA-N 1 2 297.377 3.938 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC(F)(F)F)ccc1F ZINC001255155014 1130491620 /nfs/dbraw/zinc/49/16/20/1130491620.db2.gz KDSNVNJKQJJMSD-JTQLQIEISA-N 1 2 290.260 3.506 20 30 CHEDLO Fc1ccc2c[nH+]c(NCC#Cc3ccccc3)cc2c1 ZINC001170425824 1130519833 /nfs/dbraw/zinc/51/98/33/1130519833.db2.gz GFLFSHXYWZMIIK-UHFFFAOYSA-N 1 2 276.314 3.838 20 30 CHEDLO Cc1cc(-c2cccc(Cl)c2C#N)c2[nH+]ccn2c1 ZINC001244724089 1130609518 /nfs/dbraw/zinc/60/95/18/1130609518.db2.gz NPUZEHIAQFCKGI-UHFFFAOYSA-N 1 2 267.719 3.835 20 30 CHEDLO C[C@]1(C#N)CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000811489191 1130613570 /nfs/dbraw/zinc/61/35/70/1130613570.db2.gz YZDHZIRMFXPNLM-OAHLLOKOSA-N 1 2 280.774 3.647 20 30 CHEDLO C[C@]1(C#N)CCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000811489191 1130613571 /nfs/dbraw/zinc/61/35/71/1130613571.db2.gz YZDHZIRMFXPNLM-OAHLLOKOSA-N 1 2 280.774 3.647 20 30 CHEDLO CCC(=[NH+]Nc1ccnc(F)c1)c1ccc(N(C)C)cc1 ZINC000781134286 1130705177 /nfs/dbraw/zinc/70/51/77/1130705177.db2.gz ZTPFJRLUVHYPFH-UHFFFAOYSA-N 1 2 286.354 3.513 20 30 CHEDLO N#C[C@@H]1CC[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001235187309 1130720712 /nfs/dbraw/zinc/72/07/12/1130720712.db2.gz WIEPLSOMKIDMAV-NSHDSACASA-N 1 2 274.414 3.822 20 30 CHEDLO N#C[C@@H]1CC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001235187309 1130720715 /nfs/dbraw/zinc/72/07/15/1130720715.db2.gz WIEPLSOMKIDMAV-NSHDSACASA-N 1 2 274.414 3.822 20 30 CHEDLO C#CC[NH+](CC#C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235596243 1130757723 /nfs/dbraw/zinc/75/77/23/1130757723.db2.gz AKSAXBMISBPHHF-UHFFFAOYSA-N 1 2 286.589 3.715 20 30 CHEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N)cc1Cl ZINC000782906245 1130790471 /nfs/dbraw/zinc/79/04/71/1130790471.db2.gz JUHXJHDTOBIBSX-UHFFFAOYSA-N 1 2 295.173 3.807 20 30 CHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1 ZINC000783696128 1130848854 /nfs/dbraw/zinc/84/88/54/1130848854.db2.gz DXEHRBDYTJAKQC-PLNGDYQASA-N 1 2 298.342 3.969 20 30 CHEDLO Fc1cccc(N2CCCC2)c1C=[NH+]OCCC1CC1 ZINC000814247031 1130849671 /nfs/dbraw/zinc/84/96/71/1130849671.db2.gz NSMLWGYTBSONIL-UHFFFAOYSA-N 1 2 276.355 3.577 20 30 CHEDLO CC(=[NH+]Nc1ccccc1C(F)(F)F)c1ccc(N)nc1 ZINC000814688957 1130901263 /nfs/dbraw/zinc/90/12/63/1130901263.db2.gz QGYYAMDMWJAIMH-UHFFFAOYSA-N 1 2 294.280 3.519 20 30 CHEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(Cl)c(N)c1 ZINC000814789286 1130911193 /nfs/dbraw/zinc/91/11/93/1130911193.db2.gz DMLYWRLRJQWDHN-UHFFFAOYSA-N 1 2 277.730 3.897 20 30 CHEDLO COc1ccc(C#N)cc1-c1ccc(-c2c[nH+]cn2C)cc1 ZINC001236546183 1130971145 /nfs/dbraw/zinc/97/11/45/1130971145.db2.gz AAWPCJDJQCLLJQ-UHFFFAOYSA-N 1 2 289.338 3.634 20 30 CHEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236798198 1131009543 /nfs/dbraw/zinc/00/95/43/1131009543.db2.gz HWBJYCBRPVMBGF-UHFFFAOYSA-N 1 2 299.201 3.825 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1c(O)cc(OC)cc1Cl ZINC001236799296 1131009759 /nfs/dbraw/zinc/00/97/59/1131009759.db2.gz MFJVGLZXCURUMK-UHFFFAOYSA-N 1 2 296.798 3.570 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1c(O)cc(OC)cc1Cl ZINC001236799296 1131009764 /nfs/dbraw/zinc/00/97/64/1131009764.db2.gz MFJVGLZXCURUMK-UHFFFAOYSA-N 1 2 296.798 3.570 20 30 CHEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237009920 1131036595 /nfs/dbraw/zinc/03/65/95/1131036595.db2.gz WEQATVBGBJBZCZ-CYBMUJFWSA-N 1 2 297.789 3.747 20 30 CHEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237009920 1131036596 /nfs/dbraw/zinc/03/65/96/1131036596.db2.gz WEQATVBGBJBZCZ-CYBMUJFWSA-N 1 2 297.789 3.747 20 30 CHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)oc1C ZINC000799897666 1131114782 /nfs/dbraw/zinc/11/47/82/1131114782.db2.gz RUJDVWSXTPBEPK-FPLPWBNLSA-N 1 2 280.327 3.749 20 30 CHEDLO CC(C)(CCC#N)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816612595 1131116458 /nfs/dbraw/zinc/11/64/58/1131116458.db2.gz UAZGMVCBMLPJBF-UHFFFAOYSA-N 1 2 284.762 3.604 20 30 CHEDLO Nc1ccc2c(c1)C(=[NH+]OCCC(F)(F)F)CCCC2 ZINC000817327179 1131152717 /nfs/dbraw/zinc/15/27/17/1131152717.db2.gz CVASSMGCMHZWFZ-UHFFFAOYSA-N 1 2 286.297 3.668 20 30 CHEDLO C#CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000817950748 1131189611 /nfs/dbraw/zinc/18/96/11/1131189611.db2.gz YODZXPRHOOHJHG-CQSZACIVSA-N 1 2 292.382 3.840 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(OC(C)C)c1 ZINC001238457221 1131204090 /nfs/dbraw/zinc/20/40/90/1131204090.db2.gz CCMNDPLHUDDSOZ-UHFFFAOYSA-N 1 2 278.371 3.739 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(OC(C)C)c1 ZINC001238457221 1131204095 /nfs/dbraw/zinc/20/40/95/1131204095.db2.gz CCMNDPLHUDDSOZ-UHFFFAOYSA-N 1 2 278.371 3.739 20 30 CHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000818347777 1131208569 /nfs/dbraw/zinc/20/85/69/1131208569.db2.gz UYWQGKMLPMRYMO-CQDKDKBSSA-N 1 2 295.810 3.677 20 30 CHEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558699 1131216776 /nfs/dbraw/zinc/21/67/76/1131216776.db2.gz IUICWLQDUUTVSI-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558699 1131216778 /nfs/dbraw/zinc/21/67/78/1131216778.db2.gz IUICWLQDUUTVSI-SFHVURJKSA-N 1 2 295.361 3.623 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001138444011 1131506997 /nfs/dbraw/zinc/50/69/97/1131506997.db2.gz NQKDFPXZFIZFIO-HNNXBMFYSA-N 1 2 294.398 3.974 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001138444011 1131507000 /nfs/dbraw/zinc/50/70/00/1131507000.db2.gz NQKDFPXZFIZFIO-HNNXBMFYSA-N 1 2 294.398 3.974 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001138444012 1131507471 /nfs/dbraw/zinc/50/74/71/1131507471.db2.gz NQKDFPXZFIZFIO-OAHLLOKOSA-N 1 2 294.398 3.974 20 30 CHEDLO CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001138444012 1131507474 /nfs/dbraw/zinc/50/74/74/1131507474.db2.gz NQKDFPXZFIZFIO-OAHLLOKOSA-N 1 2 294.398 3.974 20 30 CHEDLO N#CCC[N@@H+](Cc1ccc(Br)o1)C1CCCC1 ZINC001138904987 1131558820 /nfs/dbraw/zinc/55/88/20/1131558820.db2.gz BQTAIDILUPHZJD-UHFFFAOYSA-N 1 2 297.196 3.700 20 30 CHEDLO N#CCC[N@H+](Cc1ccc(Br)o1)C1CCCC1 ZINC001138904987 1131558825 /nfs/dbraw/zinc/55/88/25/1131558825.db2.gz BQTAIDILUPHZJD-UHFFFAOYSA-N 1 2 297.196 3.700 20 30 CHEDLO C=CCOc1ccccc1C[N@H+]1Cc2ccc(OC)cc2C1 ZINC001139029882 1131575013 /nfs/dbraw/zinc/57/50/13/1131575013.db2.gz UJWDUKXWUMLGKZ-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ccc(OC)cc2C1 ZINC001139029882 1131575016 /nfs/dbraw/zinc/57/50/16/1131575016.db2.gz UJWDUKXWUMLGKZ-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001139070316 1131579359 /nfs/dbraw/zinc/57/93/59/1131579359.db2.gz KLZWTTLVRYMEEE-HNNXBMFYSA-N 1 2 292.382 3.708 20 30 CHEDLO COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001139070316 1131579363 /nfs/dbraw/zinc/57/93/63/1131579363.db2.gz KLZWTTLVRYMEEE-HNNXBMFYSA-N 1 2 292.382 3.708 20 30 CHEDLO N#CCC1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144131271 1131590569 /nfs/dbraw/zinc/59/05/69/1131590569.db2.gz XPCATVHEWMLQKZ-UHFFFAOYSA-N 1 2 284.737 3.744 20 30 CHEDLO CCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2)nc1 ZINC001139518425 1131612732 /nfs/dbraw/zinc/61/27/32/1131612732.db2.gz XVTXEPFNCFGJCY-UHFFFAOYSA-N 1 2 279.387 3.874 20 30 CHEDLO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2)nc1 ZINC001139518425 1131612734 /nfs/dbraw/zinc/61/27/34/1131612734.db2.gz XVTXEPFNCFGJCY-UHFFFAOYSA-N 1 2 279.387 3.874 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1cccc(Cl)c1OC ZINC001140067684 1131661455 /nfs/dbraw/zinc/66/14/55/1131661455.db2.gz OYGUIMAJIISDJW-UHFFFAOYSA-N 1 2 280.799 3.864 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1cccc(Cl)c1OC ZINC001140067684 1131661457 /nfs/dbraw/zinc/66/14/57/1131661457.db2.gz OYGUIMAJIISDJW-UHFFFAOYSA-N 1 2 280.799 3.864 20 30 CHEDLO C=CC[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000845914557 1131668290 /nfs/dbraw/zinc/66/82/90/1131668290.db2.gz ZMYLREYQNUFQMJ-WBVHZDCISA-N 1 2 286.419 3.680 20 30 CHEDLO Cc1cccc(CCCNc2ccc(C#N)cc2C)[nH+]1 ZINC000846748824 1131729160 /nfs/dbraw/zinc/72/91/60/1131729160.db2.gz JPMIMMAAWQPUPX-UHFFFAOYSA-N 1 2 265.360 3.615 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1cc2ccccc2c(Cl)n1 ZINC000846982305 1131765175 /nfs/dbraw/zinc/76/51/75/1131765175.db2.gz OWVUOPOVBSHLSM-GFCCVEGCSA-N 1 2 273.767 3.670 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC001140601279 1131820796 /nfs/dbraw/zinc/82/07/96/1131820796.db2.gz LMFUPXMSZZDUSZ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC001140601279 1131820808 /nfs/dbraw/zinc/82/08/08/1131820808.db2.gz LMFUPXMSZZDUSZ-UHFFFAOYSA-N 1 2 288.803 3.831 20 30 CHEDLO C#C[C@H](Oc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC001228327817 1131858122 /nfs/dbraw/zinc/85/81/22/1131858122.db2.gz WCXVOWQAUXSODR-KRWDZBQOSA-N 1 2 262.312 3.625 20 30 CHEDLO C#C[C@H](CCCCC)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228326189 1131859168 /nfs/dbraw/zinc/85/91/68/1131859168.db2.gz GPTQNZZSYCHJGD-CYBMUJFWSA-N 1 2 256.349 3.832 20 30 CHEDLO CCOc1cccc(/C=[NH+]\CCc2sccc2C)c1O ZINC000773150898 1131963323 /nfs/dbraw/zinc/96/33/23/1131963323.db2.gz OTULXEXFPJVGNC-BOPFTXTBSA-N 1 2 289.400 3.822 20 30 CHEDLO N#C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC001229954019 1132135570 /nfs/dbraw/zinc/13/55/70/1132135570.db2.gz IDSVJPMJQMVWLX-QGZVFWFLSA-N 1 2 293.301 3.655 20 30 CHEDLO C=CCC(CC=C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084146 1132254622 /nfs/dbraw/zinc/25/46/22/1132254622.db2.gz YEMXYZLDIFMYNC-UHFFFAOYSA-N 1 2 254.333 3.976 20 30 CHEDLO C[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141894416 1132264310 /nfs/dbraw/zinc/26/43/10/1132264310.db2.gz JQLWMSGQWFXFSO-NSHDSACASA-N 1 2 293.208 3.695 20 30 CHEDLO C[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141894416 1132264314 /nfs/dbraw/zinc/26/43/14/1132264314.db2.gz JQLWMSGQWFXFSO-NSHDSACASA-N 1 2 293.208 3.695 20 30 CHEDLO CC[NH+]1CC(Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200776 1132271168 /nfs/dbraw/zinc/27/11/68/1132271168.db2.gz RIEHTDIOJOXCRP-XDHOZWIPSA-N 1 2 280.371 3.520 20 30 CHEDLO COCC[C@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000840709456 1132273153 /nfs/dbraw/zinc/27/31/53/1132273153.db2.gz DGERSWYOKAJPIE-HTMJNSLASA-N 1 2 271.360 3.637 20 30 CHEDLO C=CC[N@@H+](C)Cc1cc2cccc(C)c2nc1Cl ZINC001231652684 1132337053 /nfs/dbraw/zinc/33/70/53/1132337053.db2.gz SGAXEMJAKWCDTO-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO C=CC[N@H+](C)Cc1cc2cccc(C)c2nc1Cl ZINC001231652684 1132337057 /nfs/dbraw/zinc/33/70/57/1132337057.db2.gz SGAXEMJAKWCDTO-UHFFFAOYSA-N 1 2 260.768 3.814 20 30 CHEDLO CCCC[N@H+](CCC#N)Cc1ccc(Cl)c(O)c1 ZINC001231739216 1132354591 /nfs/dbraw/zinc/35/45/91/1132354591.db2.gz YLPZJMIGWSNBBA-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Cl)c(O)c1 ZINC001231739216 1132354599 /nfs/dbraw/zinc/35/45/99/1132354599.db2.gz YLPZJMIGWSNBBA-UHFFFAOYSA-N 1 2 266.772 3.561 20 30 CHEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173045601 1132381808 /nfs/dbraw/zinc/38/18/08/1132381808.db2.gz JGTJGOCOMZRQDH-INIZCTEOSA-N 1 2 278.440 3.644 20 30 CHEDLO C=CCOC1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001173312252 1132450821 /nfs/dbraw/zinc/45/08/21/1132450821.db2.gz CXFXLFXGZQSOQT-UHFFFAOYSA-N 1 2 276.424 3.706 20 30 CHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC001232679191 1132506503 /nfs/dbraw/zinc/50/65/03/1132506503.db2.gz GNIMGPDORKZJTL-KRWDZBQOSA-N 1 2 296.345 3.740 20 30 CHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC001232679191 1132506510 /nfs/dbraw/zinc/50/65/10/1132506510.db2.gz GNIMGPDORKZJTL-KRWDZBQOSA-N 1 2 296.345 3.740 20 30 CHEDLO CC[N@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143164210 1132511802 /nfs/dbraw/zinc/51/18/02/1132511802.db2.gz XPNPBIVXWQQRAB-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO CC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143164210 1132511810 /nfs/dbraw/zinc/51/18/10/1132511810.db2.gz XPNPBIVXWQQRAB-UHFFFAOYSA-N 1 2 286.325 3.859 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)cc1O)C(C)(C)Cc1ccccc1 ZINC001233387696 1132614338 /nfs/dbraw/zinc/61/43/38/1132614338.db2.gz UNWFHTGOUROPLD-UHFFFAOYSA-N 1 2 294.398 3.717 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)cc1O)C(C)(C)Cc1ccccc1 ZINC001233387696 1132614340 /nfs/dbraw/zinc/61/43/40/1132614340.db2.gz UNWFHTGOUROPLD-UHFFFAOYSA-N 1 2 294.398 3.717 20 30 CHEDLO C#CCCCNc1cc(C2CCCCC2)[nH+]c(C)n1 ZINC001155018243 1132637257 /nfs/dbraw/zinc/63/72/57/1132637257.db2.gz YCCFVZPHHJUDDA-UHFFFAOYSA-N 1 2 257.381 3.658 20 30 CHEDLO Cc1cnc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c(C#N)c1 ZINC001155956234 1132672336 /nfs/dbraw/zinc/67/23/36/1132672336.db2.gz OXVUDJKYXZRSGL-UHFFFAOYSA-N 1 2 294.402 3.867 20 30 CHEDLO Cc1nc(NCCCCC#N)cc(C2CCCCC2)[nH+]1 ZINC001157642218 1132736833 /nfs/dbraw/zinc/73/68/33/1132736833.db2.gz XKPHSZNOKZBUQN-UHFFFAOYSA-N 1 2 272.396 3.939 20 30 CHEDLO N#CCc1cc[nH+]c(NCc2ccc(F)c(Cl)c2F)c1 ZINC001157709358 1132739205 /nfs/dbraw/zinc/73/92/05/1132739205.db2.gz ISXCOWIMXOOYFV-UHFFFAOYSA-N 1 2 293.704 3.691 20 30 CHEDLO C[C@H]1C[C@@H](Nc2cc(CC#N)cc[nH+]2)c2ccccc21 ZINC001158470228 1132779470 /nfs/dbraw/zinc/77/94/70/1132779470.db2.gz BVBGVUZCEKBSFN-BLLLJJGKSA-N 1 2 263.344 3.808 20 30 CHEDLO CC(C)n1c[nH+]c2cc(Nc3cnccc3C#N)ccc21 ZINC001174381441 1132829114 /nfs/dbraw/zinc/82/91/14/1132829114.db2.gz GUIKXBAVXHGOSY-UHFFFAOYSA-N 1 2 277.331 3.627 20 30 CHEDLO C#Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522526 1132912861 /nfs/dbraw/zinc/91/28/61/1132912861.db2.gz QJCZRNAYSLOXQB-UHFFFAOYSA-N 1 2 277.371 3.797 20 30 CHEDLO Cc1c(F)cc[nH+]c1N[C@@H]1CCc2c1cccc2C#N ZINC001159916088 1132925305 /nfs/dbraw/zinc/92/53/05/1132925305.db2.gz JCCUZSJYGHWTPJ-OAHLLOKOSA-N 1 2 267.307 3.500 20 30 CHEDLO Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc1C ZINC001160020783 1132935203 /nfs/dbraw/zinc/93/52/03/1132935203.db2.gz GEHWFYYPINFGCM-UHFFFAOYSA-N 1 2 291.354 3.594 20 30 CHEDLO N#Cc1oc2ccccc2c1Nc1cccc2[nH+]c[nH]c21 ZINC001213028766 1132990199 /nfs/dbraw/zinc/99/01/99/1132990199.db2.gz WJDRVQZPAHUEKA-UHFFFAOYSA-N 1 2 274.283 3.924 20 30 CHEDLO N#Cc1nc2ccc(Nc3cccc4[nH+]c[nH]c43)cc2s1 ZINC001213032662 1132999963 /nfs/dbraw/zinc/99/99/63/1132999963.db2.gz REZZXFVWLKJALQ-UHFFFAOYSA-N 1 2 291.339 3.788 20 30 CHEDLO C[C@H](CCc1ccccc1)Nc1[nH+]cccc1CC#N ZINC001161611197 1133007140 /nfs/dbraw/zinc/00/71/40/1133007140.db2.gz GVTBGLJBKYQCCN-CQSZACIVSA-N 1 2 265.360 3.581 20 30 CHEDLO N#Cc1c(F)c(F)cc(Nc2cccc3[nH+]c[nH]c32)c1F ZINC001213034304 1133013558 /nfs/dbraw/zinc/01/35/58/1133013558.db2.gz BZVYTFYDLMDFFD-UHFFFAOYSA-N 1 2 288.232 3.595 20 30 CHEDLO Cc1cc(N[C@@H](C#N)c2ccccc2)ccc1[NH+](C)C ZINC001161721444 1133020040 /nfs/dbraw/zinc/02/00/40/1133020040.db2.gz NCTPKWLAEYBAFN-INIZCTEOSA-N 1 2 265.360 3.738 20 30 CHEDLO CCN(CC)c1ccc(Nc2cc(C)cc(F)c2C#N)c[nH+]1 ZINC001162163247 1133056053 /nfs/dbraw/zinc/05/60/53/1133056053.db2.gz WZKKENVJLSJTOZ-UHFFFAOYSA-N 1 2 298.365 3.991 20 30 CHEDLO C#CC1(Nc2[nH+]ccc3ccc(C#N)cc32)CCCCC1 ZINC001162478358 1133080900 /nfs/dbraw/zinc/08/09/00/1133080900.db2.gz AFDFZZUMVFHFHQ-UHFFFAOYSA-N 1 2 275.355 3.854 20 30 CHEDLO O=C1C=C(Nc2cc(OCc3ccccc3)cc[nH+]2)CCC1 ZINC001163452212 1133149631 /nfs/dbraw/zinc/14/96/31/1133149631.db2.gz WMNRKEBFIBZVKL-UHFFFAOYSA-N 1 2 294.354 3.709 20 30 CHEDLO Cc1ccc(Nc2ccc(F)c(CC#N)c2)c(C)[nH+]1 ZINC001203381252 1133152700 /nfs/dbraw/zinc/15/27/00/1133152700.db2.gz RWXCEATXZWLATE-UHFFFAOYSA-N 1 2 255.296 3.647 20 30 CHEDLO CC(=O)C=C(C)Nc1ccc2[nH+]c(C)n(C(C)C)c2c1 ZINC001163738631 1133170644 /nfs/dbraw/zinc/17/06/44/1133170644.db2.gz BAZGRXPUVGYHNV-FLIBITNWSA-N 1 2 271.364 3.830 20 30 CHEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(NC)cc1 ZINC001164151330 1133201341 /nfs/dbraw/zinc/20/13/41/1133201341.db2.gz PPVYFKNZKQHUKJ-UHFFFAOYSA-N 1 2 267.376 3.772 20 30 CHEDLO COC(C)(C)[C@H]1CCCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166793271 1133288249 /nfs/dbraw/zinc/28/82/49/1133288249.db2.gz ZQSZAQCAADHACA-MRXNPFEDSA-N 1 2 295.386 3.500 20 30 CHEDLO C#C[C@@H]1CCCN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001167007168 1133298508 /nfs/dbraw/zinc/29/85/08/1133298508.db2.gz TWANUXMBTOAXRH-OAHLLOKOSA-N 1 2 262.356 3.598 20 30 CHEDLO C=CCOc1ccc(C[N@@H+]2Cc3cccc(OC)c3C2)cc1 ZINC001204303636 1133433004 /nfs/dbraw/zinc/43/30/04/1133433004.db2.gz OEKZPPPGCPXSLI-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO C=CCOc1ccc(C[N@H+]2Cc3cccc(OC)c3C2)cc1 ZINC001204303636 1133433006 /nfs/dbraw/zinc/43/30/06/1133433006.db2.gz OEKZPPPGCPXSLI-UHFFFAOYSA-N 1 2 295.382 3.776 20 30 CHEDLO CCCCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001204317165 1133436855 /nfs/dbraw/zinc/43/68/55/1133436855.db2.gz ZZMFRCCSKJCICB-QGZVFWFLSA-N 1 2 286.419 3.991 20 30 CHEDLO CCCCCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001204317165 1133436859 /nfs/dbraw/zinc/43/68/59/1133436859.db2.gz ZZMFRCCSKJCICB-QGZVFWFLSA-N 1 2 286.419 3.991 20 30 CHEDLO N#CCC[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CCCC1 ZINC001204527720 1133457565 /nfs/dbraw/zinc/45/75/65/1133457565.db2.gz HAUUKAAEKICJNQ-UHFFFAOYSA-N 1 2 282.309 3.762 20 30 CHEDLO N#CCC[N@H+](Cc1cc(F)c(F)c(F)c1)C1CCCC1 ZINC001204527720 1133457568 /nfs/dbraw/zinc/45/75/68/1133457568.db2.gz HAUUKAAEKICJNQ-UHFFFAOYSA-N 1 2 282.309 3.762 20 30 CHEDLO C[C@@H](C#N)c1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001204982669 1133511563 /nfs/dbraw/zinc/51/15/63/1133511563.db2.gz DBHNRSLHPNBOKW-LBPRGKRZSA-N 1 2 262.316 3.705 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cc2cnccc2o1)c1ccc(Cl)cc1 ZINC001206085134 1133654530 /nfs/dbraw/zinc/65/45/30/1133654530.db2.gz RVRYBBTZRBOVOZ-INIZCTEOSA-N 1 2 296.757 3.945 20 30 CHEDLO Cc1cnc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001207077645 1133765359 /nfs/dbraw/zinc/76/53/59/1133765359.db2.gz YHTSXYISGNESCI-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO Cc1cnc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001207077645 1133765367 /nfs/dbraw/zinc/76/53/67/1133765367.db2.gz YHTSXYISGNESCI-UHFFFAOYSA-N 1 2 286.423 3.614 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3oc(C)nc3C2)CC1 ZINC001208179394 1133898454 /nfs/dbraw/zinc/89/84/54/1133898454.db2.gz XPGCJECDVWATRZ-OAHLLOKOSA-N 1 2 272.392 3.644 20 30 CHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3oc(C)nc3C2)CC1 ZINC001208179394 1133898458 /nfs/dbraw/zinc/89/84/58/1133898458.db2.gz XPGCJECDVWATRZ-OAHLLOKOSA-N 1 2 272.392 3.644 20 30 CHEDLO COc1cc(C#N)ccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001209325997 1134006394 /nfs/dbraw/zinc/00/63/94/1134006394.db2.gz OCJSTUOCPNAPIY-UHFFFAOYSA-N 1 2 298.733 3.612 20 30 CHEDLO C=CC[NH+](CC=C)Cc1cc(OC)c(Cl)cc1F ZINC001209665362 1134049729 /nfs/dbraw/zinc/04/97/29/1134049729.db2.gz WXYBNDQUZLZFSB-UHFFFAOYSA-N 1 2 269.747 3.662 20 30 CHEDLO Cc1cc(C#N)ccc1Nc1ccc([NH+](C)C)c(C)c1 ZINC001210041059 1134130898 /nfs/dbraw/zinc/13/08/98/1134130898.db2.gz GUOQAKBMECZCCL-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO COc1ccc(Nc2ccc([NH+](C)C)c(C)c2)cc1C#N ZINC001210041391 1134131520 /nfs/dbraw/zinc/13/15/20/1134131520.db2.gz ORFHCALTHHTSEY-UHFFFAOYSA-N 1 2 281.359 3.685 20 30 CHEDLO Cc1ccc(C#N)cc1Nc1ccc([NH+](C)C)c(C)c1 ZINC001210042705 1134132089 /nfs/dbraw/zinc/13/20/89/1134132089.db2.gz AWIKLEAOBRKLMM-UHFFFAOYSA-N 1 2 265.360 3.985 20 30 CHEDLO Cc1cc(Nc2cc(F)ccc2C#N)ccc1[NH+](C)C ZINC001210043483 1134132995 /nfs/dbraw/zinc/13/29/95/1134132995.db2.gz OBEMUSMWGAEMHV-UHFFFAOYSA-N 1 2 269.323 3.815 20 30 CHEDLO CC(=O)c1ccc(Nc2ccc([NH+](C)C)c(C)c2)c(C#N)c1 ZINC001210045822 1134134021 /nfs/dbraw/zinc/13/40/21/1134134021.db2.gz YLGCSASPLVWAID-UHFFFAOYSA-N 1 2 293.370 3.879 20 30 CHEDLO Cc1ccc2c(Nc3cnc(C#N)c(C)c3)cccc2[nH+]1 ZINC001210209677 1134166834 /nfs/dbraw/zinc/16/68/34/1134166834.db2.gz WHRROJGOTGKWFE-UHFFFAOYSA-N 1 2 274.327 3.862 20 30 CHEDLO CCCc1cc[nH+]c(Nc2ccc(C#N)cc2C)c1 ZINC001210374428 1134202587 /nfs/dbraw/zinc/20/25/87/1134202587.db2.gz LMHVASOQSFJFQP-UHFFFAOYSA-N 1 2 251.333 3.958 20 30 CHEDLO CCc1ccc(C)[nH+]c1Nc1ccc(F)cc1C#N ZINC001210552655 1134246176 /nfs/dbraw/zinc/24/61/76/1134246176.db2.gz OOTWHHAETXOCEW-UHFFFAOYSA-N 1 2 255.296 3.707 20 30 CHEDLO Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001210566727 1134250632 /nfs/dbraw/zinc/25/06/32/1134250632.db2.gz PNASMPUIACFCAW-UHFFFAOYSA-N 1 2 288.354 3.855 20 30 CHEDLO Cc1ccc(Nc2ccc(C(C)(C)C#N)cc2)[nH+]c1 ZINC001211011795 1134348475 /nfs/dbraw/zinc/34/84/75/1134348475.db2.gz BOLOACSSMWRIRU-UHFFFAOYSA-N 1 2 251.333 3.935 20 30 CHEDLO C=C1CC(C)(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001211435093 1134416392 /nfs/dbraw/zinc/41/63/92/1134416392.db2.gz WYFUXGYGODDKGO-UHFFFAOYSA-N 1 2 292.342 3.530 20 30 CHEDLO COc1cccc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213089950 1134425325 /nfs/dbraw/zinc/42/53/25/1134425325.db2.gz MKMPVXDZJWNUCF-UHFFFAOYSA-N 1 2 290.326 3.701 20 30 CHEDLO C#CCOc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213090096 1134425733 /nfs/dbraw/zinc/42/57/33/1134425733.db2.gz UKLGFVCWKOFFPP-UHFFFAOYSA-N 1 2 289.338 3.832 20 30 CHEDLO N#Cc1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)c(N)c1 ZINC001213349558 1134442830 /nfs/dbraw/zinc/44/28/30/1134442830.db2.gz DVFXIXDRBOAXKP-UHFFFAOYSA-N 1 2 294.745 3.508 20 30 CHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1sccc1C#N ZINC001213491897 1134454374 /nfs/dbraw/zinc/45/43/74/1134454374.db2.gz UEOZHZVCYCJKGG-UHFFFAOYSA-N 1 2 255.346 3.944 20 30 CHEDLO Cc1sc(Nc2c[nH+]c(C)cc2C)c(C#N)c1C ZINC001213505986 1134457403 /nfs/dbraw/zinc/45/74/03/1134457403.db2.gz XKYFKDKSVGWGJY-UHFFFAOYSA-N 1 2 257.362 3.992 20 30 CHEDLO Cc1c[nH+]cc(Nc2cc(Cl)ccc2C#N)c1C ZINC001213532497 1134461088 /nfs/dbraw/zinc/46/10/88/1134461088.db2.gz LLEKURSKCQWMQH-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(Cl)cc2C#N)c1 ZINC000404481744 1134946503 /nfs/dbraw/zinc/94/65/03/1134946503.db2.gz KPBDGRASHBKLKD-UHFFFAOYSA-N 1 2 257.724 3.967 20 30 CHEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)c(F)c2F)c1 ZINC000404480852 1134946299 /nfs/dbraw/zinc/94/62/99/1134946299.db2.gz KALKBUZAGAWDJT-UHFFFAOYSA-N 1 2 259.259 3.592 20 30 CHEDLO C[Si](C)(C)C#C[C@@H](Oc1cc(N)cc[nH+]1)c1ccccc1 ZINC001218215851 1135070751 /nfs/dbraw/zinc/07/07/51/1135070751.db2.gz WPIFMTKHQKIUJK-MRXNPFEDSA-N 1 2 296.446 3.665 20 30 CHEDLO C=C[C@@H](CCCCCCC)OCc1c[nH+]cn1C ZINC001222599415 1135254043 /nfs/dbraw/zinc/25/40/43/1135254043.db2.gz AXFKBFCTPMQTJR-HNNXBMFYSA-N 1 2 250.386 3.852 20 30 CHEDLO C[C@@H]([NH2+]CCC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000347196301 533372779 /nfs/dbraw/zinc/37/27/79/533372779.db2.gz AKEFZQKTKDEDSV-GFCCVEGCSA-N 1 2 290.411 3.708 20 30 CHEDLO C=C(C)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000006317619 170190970 /nfs/dbraw/zinc/19/09/70/170190970.db2.gz RQTNXRLYTZGNNG-UHFFFAOYSA-N 1 2 296.399 3.543 20 30 CHEDLO C#CC[N@@H+](Cc1nccn1C(C)C)[C@@H]1CCc2ccccc21 ZINC000171626834 335072928 /nfs/dbraw/zinc/07/29/28/335072928.db2.gz CWKLZMOWHJJZAN-GOSISDBHSA-N 1 2 293.414 3.587 20 30 CHEDLO C#CC[N@H+](Cc1nccn1C(C)C)[C@@H]1CCc2ccccc21 ZINC000171626834 335072930 /nfs/dbraw/zinc/07/29/30/335072930.db2.gz CWKLZMOWHJJZAN-GOSISDBHSA-N 1 2 293.414 3.587 20 30 CHEDLO C#CCN(Cc1[nH+]ccn1C(C)C)[C@@H]1CCc2ccccc21 ZINC000171626834 335072932 /nfs/dbraw/zinc/07/29/32/335072932.db2.gz CWKLZMOWHJJZAN-GOSISDBHSA-N 1 2 293.414 3.587 20 30 CHEDLO C=C[C@](C)(CC)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000188244317 260075997 /nfs/dbraw/zinc/07/59/97/260075997.db2.gz VSBVZFZKJDQTDX-MRXNPFEDSA-N 1 2 269.348 3.618 20 30 CHEDLO Cc1cc(Br)c(C[NH+]2CCC(C#N)CC2)s1 ZINC000334676843 225244061 /nfs/dbraw/zinc/24/40/61/225244061.db2.gz ZJAFRHZYBIIJLC-UHFFFAOYSA-N 1 2 299.237 3.555 20 30 CHEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nc(-c2ccccc2)cs1 ZINC000348010366 226395729 /nfs/dbraw/zinc/39/57/29/226395729.db2.gz RPUAGUZZUCKBJK-GFCCVEGCSA-N 1 2 283.400 3.764 20 30 CHEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000333630534 228207418 /nfs/dbraw/zinc/20/74/18/228207418.db2.gz AEIJAFVQMIAOFX-MRXNPFEDSA-N 1 2 294.402 3.784 20 30 CHEDLO N#CC1(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000333630534 228207419 /nfs/dbraw/zinc/20/74/19/228207419.db2.gz AEIJAFVQMIAOFX-MRXNPFEDSA-N 1 2 294.402 3.784 20 30 CHEDLO CN(Cc1cccc(C#N)c1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000078591860 260168360 /nfs/dbraw/zinc/16/83/60/260168360.db2.gz AORQSJQGWKALCV-UHFFFAOYSA-N 1 2 291.276 3.608 20 30 CHEDLO N#Cc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)c(F)c1 ZINC000078591864 260168428 /nfs/dbraw/zinc/16/84/28/260168428.db2.gz CBXDBVDTPGGEII-UHFFFAOYSA-N 1 2 295.239 3.723 20 30 CHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000361280737 261190906 /nfs/dbraw/zinc/19/09/06/261190906.db2.gz DPRURUUWKJNGNT-LBPRGKRZSA-N 1 2 292.810 3.863 20 30 CHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000361280737 261190908 /nfs/dbraw/zinc/19/09/08/261190908.db2.gz DPRURUUWKJNGNT-LBPRGKRZSA-N 1 2 292.810 3.863 20 30 CHEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1F ZINC000361700145 261378338 /nfs/dbraw/zinc/37/83/38/261378338.db2.gz UVIAHOTWKCKDKT-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccc(F)cc1F ZINC000361700145 261378341 /nfs/dbraw/zinc/37/83/41/261378341.db2.gz UVIAHOTWKCKDKT-UHFFFAOYSA-N 1 2 290.288 3.608 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000184083152 262007056 /nfs/dbraw/zinc/00/70/56/262007056.db2.gz AREFPKRQWMLXNB-CQSZACIVSA-N 1 2 254.333 3.728 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000184081654 262007144 /nfs/dbraw/zinc/00/71/44/262007144.db2.gz DFOOENDTFOXQGE-LLVKDONJSA-N 1 2 277.418 3.653 20 30 CHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000184092125 262007864 /nfs/dbraw/zinc/00/78/64/262007864.db2.gz NTISHMNVOJNMHY-JTQLQIEISA-N 1 2 287.190 3.784 20 30 CHEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCCC#N ZINC000189496007 262172300 /nfs/dbraw/zinc/17/23/00/262172300.db2.gz GHZBNDVWOQLMSS-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCCC#N ZINC000189496007 262172301 /nfs/dbraw/zinc/17/23/01/262172301.db2.gz GHZBNDVWOQLMSS-CZUORRHYSA-N 1 2 292.810 3.796 20 30 CHEDLO C[N@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(C)C#N ZINC000354018649 262276049 /nfs/dbraw/zinc/27/60/49/262276049.db2.gz QYWUDSRLGXOJKF-UHFFFAOYSA-N 1 2 287.794 3.870 20 30 CHEDLO C[N@@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(C)C#N ZINC000354018649 262276052 /nfs/dbraw/zinc/27/60/52/262276052.db2.gz QYWUDSRLGXOJKF-UHFFFAOYSA-N 1 2 287.794 3.870 20 30 CHEDLO Cc1cc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)ccc1C#N ZINC000488216335 262299786 /nfs/dbraw/zinc/29/97/86/262299786.db2.gz BCGCQRJIDBOWKH-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO Cc1cc(C[N@H+]2CCc3c(F)ccc(F)c3C2)ccc1C#N ZINC000488216335 262299787 /nfs/dbraw/zinc/29/97/87/262299787.db2.gz BCGCQRJIDBOWKH-UHFFFAOYSA-N 1 2 298.336 3.703 20 30 CHEDLO CCCCc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000272600661 263007230 /nfs/dbraw/zinc/00/72/30/263007230.db2.gz QWEFSZQEFDLRMX-UHFFFAOYSA-N 1 2 277.437 3.611 20 30 CHEDLO Cc1ccc([N@H+](C)CCCC2(C#N)CCOCC2)c(C)c1 ZINC000282065728 263073982 /nfs/dbraw/zinc/07/39/82/263073982.db2.gz SKISBVSOKZNJIJ-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO Cc1ccc([N@@H+](C)CCCC2(C#N)CCOCC2)c(C)c1 ZINC000282065728 263073983 /nfs/dbraw/zinc/07/39/83/263073983.db2.gz SKISBVSOKZNJIJ-UHFFFAOYSA-N 1 2 286.419 3.840 20 30 CHEDLO N#CCC[N@H+](CCCCC1CCOCC1)Cc1ccco1 ZINC000282086912 263074280 /nfs/dbraw/zinc/07/42/80/263074280.db2.gz UZESGIQTKZLGBV-UHFFFAOYSA-N 1 2 290.407 3.592 20 30 CHEDLO N#CCC[N@@H+](CCCCC1CCOCC1)Cc1ccco1 ZINC000282086912 263074281 /nfs/dbraw/zinc/07/42/81/263074281.db2.gz UZESGIQTKZLGBV-UHFFFAOYSA-N 1 2 290.407 3.592 20 30 CHEDLO C=C(C)C[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccccc1 ZINC000282609141 263077861 /nfs/dbraw/zinc/07/78/61/263077861.db2.gz YRMWTNQHTBMOHG-UHFFFAOYSA-N 1 2 298.434 3.611 20 30 CHEDLO C=C(C)C[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccccc1 ZINC000282609141 263077862 /nfs/dbraw/zinc/07/78/62/263077862.db2.gz YRMWTNQHTBMOHG-UHFFFAOYSA-N 1 2 298.434 3.611 20 30 CHEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000285949664 263096687 /nfs/dbraw/zinc/09/66/87/263096687.db2.gz JZODTXOMEFOTHO-KRWDZBQOSA-N 1 2 296.374 3.709 20 30 CHEDLO Cc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)no1 ZINC000290766263 263118611 /nfs/dbraw/zinc/11/86/11/263118611.db2.gz RXJIDJKLGFINQJ-ZFWWWQNUSA-N 1 2 269.348 3.679 20 30 CHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000292047813 263127614 /nfs/dbraw/zinc/12/76/14/263127614.db2.gz AZYBBOFHAZNQBV-UHFFFAOYSA-N 1 2 298.308 3.529 20 30 CHEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000292047813 263127615 /nfs/dbraw/zinc/12/76/15/263127615.db2.gz AZYBBOFHAZNQBV-UHFFFAOYSA-N 1 2 298.308 3.529 20 30 CHEDLO CCn1ccnc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000296970310 263199239 /nfs/dbraw/zinc/19/92/39/263199239.db2.gz RMQNVOIZIHGUGW-GDBMZVCRSA-N 1 2 282.391 3.599 20 30 CHEDLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1ccc(C#N)cc1 ZINC000453251375 263210550 /nfs/dbraw/zinc/21/05/50/263210550.db2.gz SYGZZSNFWUJOAR-STQMWFEESA-N 1 2 252.308 3.643 20 30 CHEDLO C[C@H](CCC#N)[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000298365557 263218772 /nfs/dbraw/zinc/21/87/72/263218772.db2.gz NINSIHWBVLNBRF-SNVBAGLBSA-N 1 2 266.747 3.529 20 30 CHEDLO C[C@H](CCC#N)[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000298365557 263218773 /nfs/dbraw/zinc/21/87/73/263218773.db2.gz NINSIHWBVLNBRF-SNVBAGLBSA-N 1 2 266.747 3.529 20 30 CHEDLO C=CC[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000121218775 263290739 /nfs/dbraw/zinc/29/07/39/263290739.db2.gz SZMWGHBFGZPCJI-UHFFFAOYSA-N 1 2 276.767 3.921 20 30 CHEDLO C=CC[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000121218775 263290740 /nfs/dbraw/zinc/29/07/40/263290740.db2.gz SZMWGHBFGZPCJI-UHFFFAOYSA-N 1 2 276.767 3.921 20 30 CHEDLO C=CCc1cc(C)cc(OC)c1OCc1c[nH+]ccc1OC ZINC000341344734 263332493 /nfs/dbraw/zinc/33/24/93/263332493.db2.gz SUVHLCPBSKRQTD-UHFFFAOYSA-N 1 2 299.370 3.715 20 30 CHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000342001714 263375373 /nfs/dbraw/zinc/37/53/73/263375373.db2.gz LGDJLQAVDNZHIB-OAHLLOKOSA-N 1 2 286.419 3.789 20 30 CHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000341990644 263382271 /nfs/dbraw/zinc/38/22/71/263382271.db2.gz DMYSDYBYVSWMOC-CYBMUJFWSA-N 1 2 292.810 3.627 20 30 CHEDLO Cc1nc(CC(C)C)oc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000331236915 264175400 /nfs/dbraw/zinc/17/54/00/264175400.db2.gz HDSFEIITNYDQDI-UHFFFAOYSA-N 1 2 287.363 3.830 20 30 CHEDLO CC[N@H+](Cc1ccc(Cl)s1)CC1(C#N)CC1 ZINC000343256001 264222953 /nfs/dbraw/zinc/22/29/53/264222953.db2.gz YAECVKNARRAEAN-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO CC[N@@H+](Cc1ccc(Cl)s1)CC1(C#N)CC1 ZINC000343256001 264222955 /nfs/dbraw/zinc/22/29/55/264222955.db2.gz YAECVKNARRAEAN-UHFFFAOYSA-N 1 2 254.786 3.527 20 30 CHEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC1(C#N)CC1 ZINC000343284325 264352463 /nfs/dbraw/zinc/35/24/63/264352463.db2.gz RDKWFEJLIFRWQP-GFCCVEGCSA-N 1 2 277.437 3.872 20 30 CHEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC1(C#N)CC1 ZINC000343284325 264352466 /nfs/dbraw/zinc/35/24/66/264352466.db2.gz RDKWFEJLIFRWQP-GFCCVEGCSA-N 1 2 277.437 3.872 20 30 CHEDLO C=CCC[C@@H]([NH2+]Cc1noc(CCC)n1)c1ccccc1 ZINC000180040076 264394590 /nfs/dbraw/zinc/39/45/90/264394590.db2.gz TUQXFGPIWDPYJI-OAHLLOKOSA-N 1 2 285.391 3.819 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000356987368 266226041 /nfs/dbraw/zinc/22/60/41/266226041.db2.gz PYQIOISVSGBWEU-CABCVRRESA-N 1 2 260.381 3.822 20 30 CHEDLO C[C@@H]1CCC[C@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000356987368 266226042 /nfs/dbraw/zinc/22/60/42/266226042.db2.gz PYQIOISVSGBWEU-CABCVRRESA-N 1 2 260.381 3.822 20 30 CHEDLO C=CC[N@@H+](Cc1csc(CCC(C)C)n1)C1CC1 ZINC000357548100 266319879 /nfs/dbraw/zinc/31/98/79/266319879.db2.gz AACDVDSLNXPQTP-UHFFFAOYSA-N 1 2 264.438 3.882 20 30 CHEDLO C=CC[N@H+](Cc1csc(CCC(C)C)n1)C1CC1 ZINC000357548100 266319882 /nfs/dbraw/zinc/31/98/82/266319882.db2.gz AACDVDSLNXPQTP-UHFFFAOYSA-N 1 2 264.438 3.882 20 30 CHEDLO C=CC[N@@H+](Cc1sccc1Br)C1CC1 ZINC000357552313 266322187 /nfs/dbraw/zinc/32/21/87/266322187.db2.gz LTSJUFVQJKTCNC-UHFFFAOYSA-N 1 2 272.211 3.661 20 30 CHEDLO C=CC[N@H+](Cc1sccc1Br)C1CC1 ZINC000357552313 266322191 /nfs/dbraw/zinc/32/21/91/266322191.db2.gz LTSJUFVQJKTCNC-UHFFFAOYSA-N 1 2 272.211 3.661 20 30 CHEDLO C=CC[NH+](CC=C)Cc1ncc(-c2ccccc2F)o1 ZINC000120090587 267357199 /nfs/dbraw/zinc/35/71/99/267357199.db2.gz LRPYERIGGWLCAA-UHFFFAOYSA-N 1 2 272.323 3.655 20 30 CHEDLO CC(C)Oc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185724622 327843398 /nfs/dbraw/zinc/84/33/98/327843398.db2.gz OFHQJWWJUHXVDV-UKRRQHHQSA-N 1 2 258.365 3.968 20 30 CHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(F)nc1C ZINC000278406921 328225221 /nfs/dbraw/zinc/22/52/21/328225221.db2.gz GQTGIAVOKQTHTP-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(F)nc1C ZINC000278406921 328225222 /nfs/dbraw/zinc/22/52/22/328225222.db2.gz GQTGIAVOKQTHTP-UHFFFAOYSA-N 1 2 277.387 3.681 20 30 CHEDLO CC(C)(C)Oc1cc[nH+]cc1NCc1cccc(C#N)c1 ZINC000158451475 326962265 /nfs/dbraw/zinc/96/22/65/326962265.db2.gz JVHTXTZFKRBEJS-UHFFFAOYSA-N 1 2 281.359 3.743 20 30 CHEDLO C=CCC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccco1 ZINC000557704334 327021575 /nfs/dbraw/zinc/02/15/75/327021575.db2.gz LGOTYULISSCIQX-HNNXBMFYSA-N 1 2 273.380 3.854 20 30 CHEDLO Cc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000560027539 327278350 /nfs/dbraw/zinc/27/83/50/327278350.db2.gz ZZHBZDIPTGDVKH-RBUKOAKNSA-N 1 2 298.430 3.731 20 30 CHEDLO Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000560027539 327278352 /nfs/dbraw/zinc/27/83/52/327278352.db2.gz ZZHBZDIPTGDVKH-RBUKOAKNSA-N 1 2 298.430 3.731 20 30 CHEDLO C=CCC1(c2nc(CCc3[nH+]cccc3C)no2)CCC1 ZINC000560354711 327302169 /nfs/dbraw/zinc/30/21/69/327302169.db2.gz RCNHWUWCHOFSQL-UHFFFAOYSA-N 1 2 283.375 3.556 20 30 CHEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cscn1 ZINC000536628028 328670930 /nfs/dbraw/zinc/67/09/30/328670930.db2.gz SLZSPTGEAQDZTQ-GFCCVEGCSA-N 1 2 274.389 3.559 20 30 CHEDLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc(C#N)cc1 ZINC000225307576 329250820 /nfs/dbraw/zinc/25/08/20/329250820.db2.gz NIMPAMKKICFTQC-SECBINFHSA-N 1 2 277.780 3.519 20 30 CHEDLO C=C(C)[C@H]([NH2+]Cc1cnoc1C)c1ccc(F)c(F)c1 ZINC000189590121 329382959 /nfs/dbraw/zinc/38/29/59/329382959.db2.gz WKMLXMQTPPRQJC-HNNXBMFYSA-N 1 2 278.302 3.668 20 30 CHEDLO CCc1[nH+]c(C)ccc1OCc1ccc(C#N)c(F)c1 ZINC000190171980 329392654 /nfs/dbraw/zinc/39/26/54/329392654.db2.gz SFMJRKJKYGVLSZ-UHFFFAOYSA-N 1 2 270.307 3.542 20 30 CHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)cc1Br ZINC000129623803 329619122 /nfs/dbraw/zinc/61/91/22/329619122.db2.gz JKZVZXAUGMALBU-GFCCVEGCSA-N 1 2 281.197 3.539 20 30 CHEDLO Cc1cc(CNc2nc(C)c(C#N)cc2Cl)cc(C)[nH+]1 ZINC000420657529 329780964 /nfs/dbraw/zinc/78/09/64/329780964.db2.gz WTGNTDTUQVDCIQ-UHFFFAOYSA-N 1 2 286.766 3.539 20 30 CHEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(C(C)(C)C)o1 ZINC000272319551 330085245 /nfs/dbraw/zinc/08/52/45/330085245.db2.gz TYXJXFTUALVGOG-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(C(C)(C)C)o1 ZINC000272319551 330085246 /nfs/dbraw/zinc/08/52/46/330085246.db2.gz TYXJXFTUALVGOG-UHFFFAOYSA-N 1 2 288.391 3.796 20 30 CHEDLO N#C[C@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000424316659 330339526 /nfs/dbraw/zinc/33/95/26/330339526.db2.gz BAIASMWWXSFIOC-ZNMIVQPWSA-N 1 2 278.346 3.535 20 30 CHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(F)cccc1F ZINC000533311312 330357170 /nfs/dbraw/zinc/35/71/70/330357170.db2.gz CHEOAVBBFKTCIY-JTQLQIEISA-N 1 2 290.288 3.826 20 30 CHEDLO C=CC[N@@H+](Cc1nc(C)cs1)Cc1cccc(C#N)c1 ZINC000088587056 330377949 /nfs/dbraw/zinc/37/79/49/330377949.db2.gz PAKZWUCWNJRVOL-UHFFFAOYSA-N 1 2 283.400 3.511 20 30 CHEDLO C=CC[N@H+](Cc1nc(C)cs1)Cc1cccc(C#N)c1 ZINC000088587056 330377950 /nfs/dbraw/zinc/37/79/50/330377950.db2.gz PAKZWUCWNJRVOL-UHFFFAOYSA-N 1 2 283.400 3.511 20 30 CHEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)s1 ZINC000120568610 330390398 /nfs/dbraw/zinc/39/03/98/330390398.db2.gz ICICXPOHCQKJOP-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)s1 ZINC000120568610 330390399 /nfs/dbraw/zinc/39/03/99/330390399.db2.gz ICICXPOHCQKJOP-UHFFFAOYSA-N 1 2 286.375 3.923 20 30 CHEDLO CC[C@@](C)([NH2+]Cc1cccc(F)c1C#N)c1nccs1 ZINC000428371100 330521600 /nfs/dbraw/zinc/52/16/00/330521600.db2.gz UMACBVQGBJRDGQ-OAHLLOKOSA-N 1 2 289.379 3.569 20 30 CHEDLO Cn1c2ccccc2[nH+]c1CCSc1ccccc1C#N ZINC000439700839 330742055 /nfs/dbraw/zinc/74/20/55/330742055.db2.gz ZGAJLCQAMVNPDH-UHFFFAOYSA-N 1 2 293.395 3.780 20 30 CHEDLO C=C(C)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000157409768 330775213 /nfs/dbraw/zinc/77/52/13/330775213.db2.gz WELYZGXQTGOPFI-UHFFFAOYSA-N 1 2 283.331 3.572 20 30 CHEDLO COc1cccc2c1cc[nH+]c2NCC1CCC(C#N)CC1 ZINC000450501166 330984006 /nfs/dbraw/zinc/98/40/06/330984006.db2.gz PNNWNCGOLNFBHX-UHFFFAOYSA-N 1 2 295.386 3.985 20 30 CHEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CCC2)c2ccccn2)cc1 ZINC000450889695 331005010 /nfs/dbraw/zinc/00/50/10/331005010.db2.gz RVGLZEDYAOLTGB-GOSISDBHSA-N 1 2 291.398 3.763 20 30 CHEDLO C=CCC(CC=C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000453223249 331103358 /nfs/dbraw/zinc/10/33/58/331103358.db2.gz MAJWIAKPRPIOGW-UHFFFAOYSA-N 1 2 283.375 3.794 20 30 CHEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C#N ZINC000463204252 331342271 /nfs/dbraw/zinc/34/22/71/331342271.db2.gz QZLQTBMAHBDTLP-ULQDDVLXSA-N 1 2 268.404 3.804 20 30 CHEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C#N ZINC000463204252 331342272 /nfs/dbraw/zinc/34/22/72/331342272.db2.gz QZLQTBMAHBDTLP-ULQDDVLXSA-N 1 2 268.404 3.804 20 30 CHEDLO Cc1cc(OCc2cccc(C#N)c2)c2ccccc2[nH+]1 ZINC000486194155 331933093 /nfs/dbraw/zinc/93/30/93/331933093.db2.gz OSKWIBLKTWRJLT-UHFFFAOYSA-N 1 2 274.323 3.994 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2c(cccc2F)n1CC ZINC000489428042 332051392 /nfs/dbraw/zinc/05/13/92/332051392.db2.gz DKYXLYLNVDWUEL-ZDUSSCGKSA-N 1 2 287.382 3.736 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2c(cccc2F)n1CC ZINC000489428042 332051394 /nfs/dbraw/zinc/05/13/94/332051394.db2.gz DKYXLYLNVDWUEL-ZDUSSCGKSA-N 1 2 287.382 3.736 20 30 CHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1Cl ZINC000489502253 332057067 /nfs/dbraw/zinc/05/70/67/332057067.db2.gz YGMWZKGKZLBBNO-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1Cl ZINC000489502253 332057068 /nfs/dbraw/zinc/05/70/68/332057068.db2.gz YGMWZKGKZLBBNO-ZDUSSCGKSA-N 1 2 292.810 3.627 20 30 CHEDLO C#C[C@H]([NH2+]Cc1ccc(COC)o1)c1ccc(Cl)cc1 ZINC000491408690 332206925 /nfs/dbraw/zinc/20/69/25/332206925.db2.gz WKBZETIBAHHILW-INIZCTEOSA-N 1 2 289.762 3.544 20 30 CHEDLO C#C[C@H]([NH2+]Cc1cncn1C(C)C)c1ccc(Cl)cc1 ZINC000491418787 332208147 /nfs/dbraw/zinc/20/81/47/332208147.db2.gz SKZBFRXGZAGZQF-INIZCTEOSA-N 1 2 287.794 3.582 20 30 CHEDLO C#C[C@@H]([NH2+]Cc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000491484615 332219702 /nfs/dbraw/zinc/21/97/02/332219702.db2.gz JVAZPJQCJWICST-CQSZACIVSA-N 1 2 291.181 3.853 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000229956780 333312077 /nfs/dbraw/zinc/31/20/77/333312077.db2.gz NTSAHSQSMSIPTA-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229956780 333312078 /nfs/dbraw/zinc/31/20/78/333312078.db2.gz NTSAHSQSMSIPTA-LLVKDONJSA-N 1 2 286.375 3.878 20 30 CHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000135173712 334118769 /nfs/dbraw/zinc/11/87/69/334118769.db2.gz BNSGONHHLUBEHG-QGZVFWFLSA-N 1 2 284.790 3.857 20 30 CHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000135173712 334118770 /nfs/dbraw/zinc/11/87/70/334118770.db2.gz BNSGONHHLUBEHG-QGZVFWFLSA-N 1 2 284.790 3.857 20 30 CHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549415075 334193193 /nfs/dbraw/zinc/19/31/93/334193193.db2.gz UXTMEJLQHYKSKH-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549415075 334193194 /nfs/dbraw/zinc/19/31/94/334193194.db2.gz UXTMEJLQHYKSKH-SFHVURJKSA-N 1 2 298.336 3.768 20 30 CHEDLO CC#CC[N@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000550491984 334223368 /nfs/dbraw/zinc/22/33/68/334223368.db2.gz ZHTBUDIKCHBISA-UHFFFAOYSA-N 1 2 272.779 3.652 20 30 CHEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000550491984 334223369 /nfs/dbraw/zinc/22/33/69/334223369.db2.gz ZHTBUDIKCHBISA-UHFFFAOYSA-N 1 2 272.779 3.652 20 30 CHEDLO N#C[C@H]1CC[C@@H]([NH2+]CC(F)(F)c2ccc(Cl)cc2)C1 ZINC000552097689 334289228 /nfs/dbraw/zinc/28/92/28/334289228.db2.gz KGZCKBXWMMODTP-GXFFZTMASA-N 1 2 284.737 3.714 20 30 CHEDLO C=C(C)COCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000553147499 334364781 /nfs/dbraw/zinc/36/47/81/334364781.db2.gz BQQZOUSYDOBXDH-UHFFFAOYSA-N 1 2 276.767 3.893 20 30 CHEDLO C=C(C)C[C@@H](C)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000565917105 334608797 /nfs/dbraw/zinc/60/87/97/334608797.db2.gz REFJAGWJPKGEBP-CYBMUJFWSA-N 1 2 296.374 3.686 20 30 CHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cscn1 ZINC000576293321 335185380 /nfs/dbraw/zinc/18/53/80/335185380.db2.gz QIHZLMKYEAMVNZ-VHSXEESVSA-N 1 2 275.352 3.566 20 30 CHEDLO COc1cccc2c(NCC3CCC(C#N)CC3)cc[nH+]c12 ZINC000576813300 335250409 /nfs/dbraw/zinc/25/04/09/335250409.db2.gz RGJNXWXFMKVOEW-UHFFFAOYSA-N 1 2 295.386 3.985 20 30 CHEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1nc(C(C)(C)C)cs1 ZINC000184454771 335926543 /nfs/dbraw/zinc/92/65/43/335926543.db2.gz QRAAMKGZNAETRW-NEPJUHHUSA-N 1 2 290.436 3.535 20 30 CHEDLO COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H](C)C#N ZINC000581711976 336134642 /nfs/dbraw/zinc/13/46/42/336134642.db2.gz ITFKTFKFPGVODH-CQSZACIVSA-N 1 2 294.398 3.920 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125668757 526036337 /nfs/dbraw/zinc/03/63/37/526036337.db2.gz IHMDXJHFAMVCRX-GUYCJALGSA-N 1 2 298.411 3.754 20 30 CHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125668757 526036344 /nfs/dbraw/zinc/03/63/44/526036344.db2.gz IHMDXJHFAMVCRX-GUYCJALGSA-N 1 2 298.411 3.754 20 30 CHEDLO C=CC[N@@H+](Cc1cccc(C)n1)Cc1ccccc1F ZINC000347368040 526346531 /nfs/dbraw/zinc/34/65/31/526346531.db2.gz UEPUFOUYHQBKJK-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO C=CC[N@H+](Cc1cccc(C)n1)Cc1ccccc1F ZINC000347368040 526346535 /nfs/dbraw/zinc/34/65/35/526346535.db2.gz UEPUFOUYHQBKJK-UHFFFAOYSA-N 1 2 270.351 3.717 20 30 CHEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCC3)cc2)s1 ZINC000157437461 526628096 /nfs/dbraw/zinc/62/80/96/526628096.db2.gz WNIXNIOKQAIZGC-UHFFFAOYSA-N 1 2 283.400 3.832 20 30 CHEDLO C=CCCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000350514721 527327348 /nfs/dbraw/zinc/32/73/48/527327348.db2.gz MWKCFUPEZMCXCH-UHFFFAOYSA-N 1 2 265.360 3.590 20 30 CHEDLO C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334707334 527452229 /nfs/dbraw/zinc/45/22/29/527452229.db2.gz ZUMXGHZYHNSYTE-CQSZACIVSA-N 1 2 273.380 3.579 20 30 CHEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(Cl)cc1 ZINC000356065817 528882232 /nfs/dbraw/zinc/88/22/32/528882232.db2.gz PTWFKQUMRMJWPJ-UHFFFAOYSA-N 1 2 291.807 3.690 20 30 CHEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(Cl)cc1 ZINC000356065817 528882235 /nfs/dbraw/zinc/88/22/35/528882235.db2.gz PTWFKQUMRMJWPJ-UHFFFAOYSA-N 1 2 291.807 3.690 20 30 CHEDLO