smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1ccc(C#N)c(N2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000272561218 209976383 /nfs/dbraw/zinc/97/63/83/209976383.db2.gz SBTOGPMTBFSANI-OAHLLOKOSA-N 1 2 320.396 3.094 10 30 DGEELO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279929978 215245892 /nfs/dbraw/zinc/24/58/92/215245892.db2.gz GYSMFQFWHWXCIP-GDBMZVCRSA-N 1 2 311.385 3.305 10 30 DGEELO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000181084762 199250516 /nfs/dbraw/zinc/25/05/16/199250516.db2.gz UOSUBAZNZXIYLR-JTQLQIEISA-N 1 2 311.248 3.258 10 30 DGEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000181084762 199250517 /nfs/dbraw/zinc/25/05/17/199250517.db2.gz UOSUBAZNZXIYLR-JTQLQIEISA-N 1 2 311.248 3.258 10 30 DGEELO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000246074396 432090272 /nfs/dbraw/zinc/09/02/72/432090272.db2.gz YORULNYLQXOQMS-UONOGXRCSA-N 1 2 324.490 3.141 10 30 DGEELO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000246074396 432090277 /nfs/dbraw/zinc/09/02/77/432090277.db2.gz YORULNYLQXOQMS-UONOGXRCSA-N 1 2 324.490 3.141 10 30 DGEELO N#Cc1ccc2[nH+]cc(CNc3ccccc3-n3cccn3)n2c1 ZINC000092137952 193166807 /nfs/dbraw/zinc/16/68/07/193166807.db2.gz LZAHIKLPUXIGSN-UHFFFAOYSA-N 1 2 314.352 3.004 10 30 DGEELO Cc1cc(Br)ccc1OCCCC/C(N)=[NH+]/O ZINC000063062044 184268774 /nfs/dbraw/zinc/26/87/74/184268774.db2.gz UVSHDUPJNNDEBY-UHFFFAOYSA-N 1 2 301.184 3.053 10 30 DGEELO CCC1(CC)C[N@@H+]([C@H](C)c2cccc(C#N)c2)CC[S@]1=O ZINC000249404887 285072334 /nfs/dbraw/zinc/07/23/34/285072334.db2.gz WDODHFQPKVAMKJ-SPLOXXLWSA-N 1 2 304.459 3.242 10 30 DGEELO CCC1(CC)C[N@H+]([C@H](C)c2cccc(C#N)c2)CC[S@]1=O ZINC000249404887 285072335 /nfs/dbraw/zinc/07/23/35/285072335.db2.gz WDODHFQPKVAMKJ-SPLOXXLWSA-N 1 2 304.459 3.242 10 30 DGEELO C=CCOc1ccc(C[NH2+][C@@H](CC(C)(C)C)C(=O)OC)cc1 ZINC000586541003 400147439 /nfs/dbraw/zinc/14/74/39/400147439.db2.gz GPCBZQBXDVQJHL-INIZCTEOSA-N 1 2 305.418 3.319 10 30 DGEELO C=CCOc1ccc(C[NH2+][C@H](CC(C)(C)C)C(=O)OC)cc1 ZINC000586541004 400147622 /nfs/dbraw/zinc/14/76/22/400147622.db2.gz GPCBZQBXDVQJHL-MRXNPFEDSA-N 1 2 305.418 3.319 10 30 DGEELO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(C#N)cc1 ZINC000610026194 400208772 /nfs/dbraw/zinc/20/87/72/400208772.db2.gz GDRUNDOYVMEDGF-GFCCVEGCSA-N 1 2 305.341 3.089 10 30 DGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(C#N)c1 ZINC000610991448 400334372 /nfs/dbraw/zinc/33/43/72/400334372.db2.gz KUXIUTFIGGPALT-UHFFFAOYSA-N 1 2 308.341 3.050 10 30 DGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(C#N)c1 ZINC000610991448 400334375 /nfs/dbraw/zinc/33/43/75/400334375.db2.gz KUXIUTFIGGPALT-UHFFFAOYSA-N 1 2 308.341 3.050 10 30 DGEELO C=C(C)C[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000602733855 400557078 /nfs/dbraw/zinc/55/70/78/400557078.db2.gz LUDAYKHGMQMQFP-HIFRSBDPSA-N 1 2 320.389 3.013 10 30 DGEELO C=CCCCN(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000076950515 400681619 /nfs/dbraw/zinc/68/16/19/400681619.db2.gz VCAGKRMKQVXBQZ-UHFFFAOYSA-N 1 2 306.797 3.095 10 30 DGEELO C=CCCOCCCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014228 400744560 /nfs/dbraw/zinc/74/45/60/400744560.db2.gz HTSAHNQATQWSFY-UHFFFAOYSA-N 1 2 301.390 3.344 10 30 DGEELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180462069 400884177 /nfs/dbraw/zinc/88/41/77/400884177.db2.gz XGWUNNHQCBJORC-UHFFFAOYSA-N 1 2 322.412 3.024 10 30 DGEELO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000624750990 400939872 /nfs/dbraw/zinc/93/98/72/400939872.db2.gz BGTFLPIOIGMPEO-SFHVURJKSA-N 1 2 323.440 3.011 10 30 DGEELO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cncc(OC)n1 ZINC000625045212 401015516 /nfs/dbraw/zinc/01/55/16/401015516.db2.gz IDPSDYQAWLIELJ-UHFFFAOYSA-N 1 2 309.822 3.388 10 30 DGEELO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cncc(OC)n1 ZINC000625045212 401015518 /nfs/dbraw/zinc/01/55/18/401015518.db2.gz IDPSDYQAWLIELJ-UHFFFAOYSA-N 1 2 309.822 3.388 10 30 DGEELO C=CCCC(C)(C)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000633967110 401169415 /nfs/dbraw/zinc/16/94/15/401169415.db2.gz ZAKCZFDRTOVNEP-UHFFFAOYSA-N 1 2 302.409 3.072 10 30 DGEELO C=C(C)CN(CC)C(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626177090 401317005 /nfs/dbraw/zinc/31/70/05/401317005.db2.gz FDHVHEZEUQUITP-UHFFFAOYSA-N 1 2 322.399 3.358 10 30 DGEELO C=CCCn1cc(C[NH2+]Cc2ccsc2C(F)(F)F)nn1 ZINC000631187930 401420071 /nfs/dbraw/zinc/42/00/71/401420071.db2.gz ATMSNDNYILRNCR-UHFFFAOYSA-N 1 2 316.352 3.224 10 30 DGEELO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]2COC)cc1OC ZINC000628294288 401569246 /nfs/dbraw/zinc/56/92/46/401569246.db2.gz MKORIPLUFCHCCP-ZDUSSCGKSA-N 1 2 311.809 3.134 10 30 DGEELO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]2COC)cc1OC ZINC000628294288 401569250 /nfs/dbraw/zinc/56/92/50/401569250.db2.gz MKORIPLUFCHCCP-ZDUSSCGKSA-N 1 2 311.809 3.134 10 30 DGEELO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2cc[nH]n2)cc1OC ZINC000628169625 401541151 /nfs/dbraw/zinc/54/11/51/401541151.db2.gz GQNXBEYTSOFICC-UHFFFAOYSA-N 1 2 321.808 3.269 10 30 DGEELO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2cc[nH]n2)cc1OC ZINC000628169625 401541153 /nfs/dbraw/zinc/54/11/53/401541153.db2.gz GQNXBEYTSOFICC-UHFFFAOYSA-N 1 2 321.808 3.269 10 30 DGEELO Cc1nc([C@H]2CCCN2Cc2c[nH+]c3ccc(C#N)cn23)cs1 ZINC000189923391 165183097 /nfs/dbraw/zinc/18/30/97/165183097.db2.gz ULZNPTOEQWXTED-MRXNPFEDSA-N 1 2 323.425 3.308 10 30 DGEELO CC[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801680 266135285 /nfs/dbraw/zinc/13/52/85/266135285.db2.gz VQTYXLQGDCEVLE-QGZVFWFLSA-N 1 2 309.413 3.248 10 30 DGEELO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801680 266135288 /nfs/dbraw/zinc/13/52/88/266135288.db2.gz VQTYXLQGDCEVLE-QGZVFWFLSA-N 1 2 309.413 3.248 10 30 DGEELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cccc(C#N)c1)C2 ZINC000112712503 431298796 /nfs/dbraw/zinc/29/87/96/431298796.db2.gz QVCWBQJUVWQMOC-UHFFFAOYSA-N 1 2 323.400 3.005 10 30 DGEELO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)c1 ZINC000119216833 431662668 /nfs/dbraw/zinc/66/26/68/431662668.db2.gz OVSNTZKGDXCNIA-IBGZPJMESA-N 1 2 308.381 3.140 10 30 DGEELO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)c1 ZINC000119216833 431662674 /nfs/dbraw/zinc/66/26/74/431662674.db2.gz OVSNTZKGDXCNIA-IBGZPJMESA-N 1 2 308.381 3.140 10 30 DGEELO C[C@H](NC(=O)c1cc(C#N)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000084116221 431815987 /nfs/dbraw/zinc/81/59/87/431815987.db2.gz LTHUFTUKMBOIOP-LBPRGKRZSA-N 1 2 322.393 3.296 10 30 DGEELO N#Cc1ccc2[nH+]cc(CNc3cccc(OC(F)F)c3)n2c1 ZINC000123396630 431863768 /nfs/dbraw/zinc/86/37/68/431863768.db2.gz ADAJUEXNPGMBLI-UHFFFAOYSA-N 1 2 314.295 3.419 10 30 DGEELO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccc(C#N)cn12 ZINC000093101000 431913103 /nfs/dbraw/zinc/91/31/03/431913103.db2.gz TZHQERKFOPMXFK-UHFFFAOYSA-N 1 2 309.417 3.358 10 30 DGEELO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccc(C#N)cn12 ZINC000093101000 431913107 /nfs/dbraw/zinc/91/31/07/431913107.db2.gz TZHQERKFOPMXFK-UHFFFAOYSA-N 1 2 309.417 3.358 10 30 DGEELO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000125472668 431926260 /nfs/dbraw/zinc/92/62/60/431926260.db2.gz MXVOOVDQPSWAMD-KRWDZBQOSA-N 1 2 314.410 3.072 10 30 DGEELO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000125472668 431926263 /nfs/dbraw/zinc/92/62/63/431926263.db2.gz MXVOOVDQPSWAMD-KRWDZBQOSA-N 1 2 314.410 3.072 10 30 DGEELO C(#Cc1ccccc1)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000192128124 432334927 /nfs/dbraw/zinc/33/49/27/432334927.db2.gz CMUSEWOGMAXMAK-OAQYLSRUSA-N 1 2 303.405 3.212 10 30 DGEELO C(#Cc1ccccc1)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000192128124 432334931 /nfs/dbraw/zinc/33/49/31/432334931.db2.gz CMUSEWOGMAXMAK-OAQYLSRUSA-N 1 2 303.405 3.212 10 30 DGEELO C#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000192191716 432342721 /nfs/dbraw/zinc/34/27/21/432342721.db2.gz JYRYZJDHFUNEHS-RDJZCZTQSA-N 1 2 322.811 3.144 10 30 DGEELO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000192191716 432342723 /nfs/dbraw/zinc/34/27/23/432342723.db2.gz JYRYZJDHFUNEHS-RDJZCZTQSA-N 1 2 322.811 3.144 10 30 DGEELO C=C[C@H](CC(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000153213922 432392135 /nfs/dbraw/zinc/39/21/35/432392135.db2.gz SAFLQACVGCFKQM-OAHLLOKOSA-N 1 2 309.413 3.124 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000274292705 432646631 /nfs/dbraw/zinc/64/66/31/432646631.db2.gz OSRCYSOQZHHJIC-OAHLLOKOSA-N 1 2 301.434 3.290 10 30 DGEELO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)cc1C#N ZINC000158607538 432651616 /nfs/dbraw/zinc/65/16/16/432651616.db2.gz NQOOHBBVXQAYDM-SFHVURJKSA-N 1 2 312.369 3.042 10 30 DGEELO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)cc1C#N ZINC000158607538 432651622 /nfs/dbraw/zinc/65/16/22/432651622.db2.gz NQOOHBBVXQAYDM-SFHVURJKSA-N 1 2 312.369 3.042 10 30 DGEELO C=C(C)[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)c(F)c1 ZINC000187755969 432683795 /nfs/dbraw/zinc/68/37/95/432683795.db2.gz GUGOIXUWYAEDRW-INIZCTEOSA-N 1 2 318.371 3.378 10 30 DGEELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nccs1 ZINC000161114097 432759244 /nfs/dbraw/zinc/75/92/44/432759244.db2.gz DJHJPCOTKYTZIG-WCQYABFASA-N 1 2 314.414 3.083 10 30 DGEELO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C#N)cc2C)c1C ZINC000178649328 432761292 /nfs/dbraw/zinc/76/12/92/432761292.db2.gz LAXAHKSLGIHLNM-UHFFFAOYSA-N 1 2 323.396 3.159 10 30 DGEELO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000161733043 432794719 /nfs/dbraw/zinc/79/47/19/432794719.db2.gz GOSVPIZFMAKTPS-UHFFFAOYSA-N 1 2 315.348 3.139 10 30 DGEELO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000161733043 432794726 /nfs/dbraw/zinc/79/47/26/432794726.db2.gz GOSVPIZFMAKTPS-UHFFFAOYSA-N 1 2 315.348 3.139 10 30 DGEELO C#CCC(CC#C)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000277601324 432863604 /nfs/dbraw/zinc/86/36/04/432863604.db2.gz GYXVWLNTQRUSGI-UHFFFAOYSA-N 1 2 305.381 3.432 10 30 DGEELO N#Cc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)s1 ZINC000341271543 433011981 /nfs/dbraw/zinc/01/19/81/433011981.db2.gz OERDAYXJCFDXCF-UHFFFAOYSA-N 1 2 308.410 3.154 10 30 DGEELO Cn1c(C#N)ccc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000448619155 433460268 /nfs/dbraw/zinc/46/02/68/433460268.db2.gz UQVHTPZMFVPECX-UHFFFAOYSA-N 1 2 321.384 3.323 10 30 DGEELO COCCOc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301769012 433716617 /nfs/dbraw/zinc/71/66/17/433716617.db2.gz ILESCUQJGBZJAL-UHFFFAOYSA-N 1 2 311.385 3.207 10 30 DGEELO Cc1cc(Nc2cccc(N3CCOC3=O)c2)c(C#N)c(C)[nH+]1 ZINC000301779764 433720755 /nfs/dbraw/zinc/72/07/55/433720755.db2.gz MSATZASPRNQUIS-UHFFFAOYSA-N 1 2 308.341 3.270 10 30 DGEELO CC(=O)N1CCc2cc(Nc3cc(C)[nH+]c(C)c3C#N)ccc21 ZINC000301803700 433733098 /nfs/dbraw/zinc/73/30/98/433733098.db2.gz WYENMDHJKZWJSZ-UHFFFAOYSA-N 1 2 306.369 3.223 10 30 DGEELO CC#CCNC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000434365014 433861241 /nfs/dbraw/zinc/86/12/41/433861241.db2.gz YYMNAZUCXNDKJD-INIZCTEOSA-N 1 2 322.811 3.146 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H](C)C1(C)CC1)CCC2 ZINC000328719702 434301096 /nfs/dbraw/zinc/30/10/96/434301096.db2.gz QJVJNNXYNIUDOD-KBPBESRZSA-N 1 2 304.438 3.103 10 30 DGEELO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000358559904 434396342 /nfs/dbraw/zinc/39/63/42/434396342.db2.gz DWBNAIRLLLDXQL-QWRGUYRKSA-N 1 2 301.369 3.351 10 30 DGEELO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372465363 434831130 /nfs/dbraw/zinc/83/11/30/434831130.db2.gz PYKYSDUMMDWUSB-ZIAGYGMSSA-N 1 2 303.450 3.499 10 30 DGEELO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372465363 434831132 /nfs/dbraw/zinc/83/11/32/434831132.db2.gz PYKYSDUMMDWUSB-ZIAGYGMSSA-N 1 2 303.450 3.499 10 30 DGEELO C=CCCc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000558641549 435103343 /nfs/dbraw/zinc/10/33/43/435103343.db2.gz NYUKOYSTLRHFDE-OAHLLOKOSA-N 1 2 310.401 3.138 10 30 DGEELO N#C[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1c1c(F)cccc1OC2 ZINC000498050574 435302432 /nfs/dbraw/zinc/30/24/32/435302432.db2.gz NUOXHMCWCKVXCG-KXBFYZLASA-N 1 2 308.356 3.327 10 30 DGEELO N#C[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1c1c(F)cccc1OC2 ZINC000498050574 435302437 /nfs/dbraw/zinc/30/24/37/435302437.db2.gz NUOXHMCWCKVXCG-KXBFYZLASA-N 1 2 308.356 3.327 10 30 DGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718382 435643881 /nfs/dbraw/zinc/64/38/81/435643881.db2.gz JDAVWYHLMLXAPN-FUHWJXTLSA-N 1 2 322.493 3.081 10 30 DGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718382 435643885 /nfs/dbraw/zinc/64/38/85/435643885.db2.gz JDAVWYHLMLXAPN-FUHWJXTLSA-N 1 2 322.493 3.081 10 30 DGEELO CC1(C#N)CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000543739057 341055926 /nfs/dbraw/zinc/05/59/26/341055926.db2.gz YUCRWQYPSXPTKI-UHFFFAOYSA-N 1 2 308.385 3.395 10 30 DGEELO Cc1ccc2c(c1)nc(CNc1cc(C)[nH+]c(C)c1C#N)n2C ZINC000302217109 534456664 /nfs/dbraw/zinc/45/66/64/534456664.db2.gz JKFHDKKFLFXXSB-UHFFFAOYSA-N 1 2 305.385 3.377 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(CC1CC1)CC1CC1)CCC2 ZINC000328642314 534511998 /nfs/dbraw/zinc/51/19/98/534511998.db2.gz DRMOBRCWIZCJKP-INIZCTEOSA-N 1 2 316.449 3.105 10 30 DGEELO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000156875476 523527706 /nfs/dbraw/zinc/52/77/06/523527706.db2.gz HMVUOUBDXKIIND-QGZVFWFLSA-N 1 2 314.410 3.202 10 30 DGEELO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000156875476 523527714 /nfs/dbraw/zinc/52/77/14/523527714.db2.gz HMVUOUBDXKIIND-QGZVFWFLSA-N 1 2 314.410 3.202 10 30 DGEELO C=C(C)CN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000351348810 526496177 /nfs/dbraw/zinc/49/61/77/526496177.db2.gz DHNGKNLVFCOWCV-UHFFFAOYSA-N 1 2 308.451 3.169 10 30 DGEELO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1cnc(C)cn1 ZINC000428959976 526562144 /nfs/dbraw/zinc/56/21/44/526562144.db2.gz ZWXOIFGFDQBBRT-CQSZACIVSA-N 1 2 301.390 3.010 10 30 DGEELO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cnc(C)cn1 ZINC000428959976 526562148 /nfs/dbraw/zinc/56/21/48/526562148.db2.gz ZWXOIFGFDQBBRT-CQSZACIVSA-N 1 2 301.390 3.010 10 30 DGEELO C=C(C)COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1OC ZINC000353577917 526660376 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C=CC[C@H](CO)[NH2+][C@H](c1ccc(Br)cc1)C(F)F ZINC000621758780 401296439 /nfs/dbraw/zinc/29/64/39/401296439.db2.gz JFJGDLZWRQIWGJ-VXGBXAGGSA-N 1 2 320.177 3.282 10 30 DGEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000628037602 401515370 /nfs/dbraw/zinc/51/53/70/401515370.db2.gz FLTFTXJKDVOPTG-OAGGEKHMSA-N 1 2 301.434 3.005 10 30 DGEELO N#Cc1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)ccn1 ZINC000193038706 165314657 /nfs/dbraw/zinc/31/46/57/165314657.db2.gz BLRLKKWDWAWQSD-UHFFFAOYSA-N 1 2 317.352 3.349 10 30 DGEELO C[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329185131 287256781 /nfs/dbraw/zinc/25/67/81/287256781.db2.gz AKDRBKAPNWOANM-ZIAGYGMSSA-N 1 2 318.465 3.284 10 30 DGEELO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cn(-c2ccccc2)nn1 ZINC000150966934 432207294 /nfs/dbraw/zinc/20/72/94/432207294.db2.gz CDAFPVOZAWUDGO-ZDUSSCGKSA-N 1 2 321.359 3.129 10 30 DGEELO N#CCC[C@@H](C#N)C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000126457466 227000183 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C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000192191725 432342133 /nfs/dbraw/zinc/34/21/33/432342133.db2.gz JYRYZJDHFUNEHS-WBVHZDCISA-N 1 2 322.811 3.144 10 30 DGEELO COc1cc2c(cc1OC)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000191911687 432312714 /nfs/dbraw/zinc/31/27/14/432312714.db2.gz HLXDBAVTVIAHSG-UHFFFAOYSA-N 1 2 307.393 3.114 10 30 DGEELO COc1cc2c(cc1OC)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000191911687 432312717 /nfs/dbraw/zinc/31/27/17/432312717.db2.gz HLXDBAVTVIAHSG-UHFFFAOYSA-N 1 2 307.393 3.114 10 30 DGEELO CC(=O)c1ccc(C#N)c(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000272530316 432518263 /nfs/dbraw/zinc/51/82/63/432518263.db2.gz OQSCJRKARCLXBB-UHFFFAOYSA-N 1 2 322.412 3.180 10 30 DGEELO Cc1csc([C@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)n1 ZINC000186193372 432567648 /nfs/dbraw/zinc/56/76/48/432567648.db2.gz YGRCOTGSIYAKHL-MRXNPFEDSA-N 1 2 313.426 3.205 10 30 DGEELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)n1 ZINC000186193372 432567653 /nfs/dbraw/zinc/56/76/53/432567653.db2.gz YGRCOTGSIYAKHL-MRXNPFEDSA-N 1 2 313.426 3.205 10 30 DGEELO CCc1nc(C2([NH2+]Cc3ccc(C#N)s3)CCCC2)no1 ZINC000176959563 432569054 /nfs/dbraw/zinc/56/90/54/432569054.db2.gz QJTZYEMHFBCZEV-UHFFFAOYSA-N 1 2 302.403 3.124 10 30 DGEELO Cc1cc(C#N)ccc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000186220862 432569001 /nfs/dbraw/zinc/56/90/01/432569001.db2.gz PFQDHUIWGCOLSS-UHFFFAOYSA-N 1 2 308.429 3.282 10 30 DGEELO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000186220862 432569003 /nfs/dbraw/zinc/56/90/03/432569003.db2.gz PFQDHUIWGCOLSS-UHFFFAOYSA-N 1 2 308.429 3.282 10 30 DGEELO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000186220862 432569005 /nfs/dbraw/zinc/56/90/05/432569005.db2.gz PFQDHUIWGCOLSS-UHFFFAOYSA-N 1 2 308.429 3.282 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000274325630 432653296 /nfs/dbraw/zinc/65/32/96/432653296.db2.gz HFKARQTYVLHOEQ-LLVKDONJSA-N 1 2 303.328 3.006 10 30 DGEELO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000159207879 432674449 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SNJPDHVRWDIEPJ-UHFFFAOYSA-N 1 2 320.352 3.366 10 30 DGEELO C=C(CC)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000455538262 242228564 /nfs/dbraw/zinc/22/85/64/242228564.db2.gz NRTWSCMVBKEKAG-HNNXBMFYSA-N 1 2 316.449 3.075 10 30 DGEELO C=C(C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000488568763 245211385 /nfs/dbraw/zinc/21/13/85/245211385.db2.gz BIWBHVIWMLPGPI-KRWDZBQOSA-N 1 2 312.417 3.117 10 30 DGEELO C#CCn1c(CCCCCNC(=O)/C=C/C)[nH+]c2ccccc21 ZINC000040219403 183047233 /nfs/dbraw/zinc/04/72/33/183047233.db2.gz XAYOVEJHBNQBMN-XCVCLJGOSA-N 1 2 309.413 3.075 10 30 DGEELO C=CCNc1[nH+]cnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040708929 183121409 /nfs/dbraw/zinc/12/14/09/183121409.db2.gz MGKQGLDHYMVDQK-UHFFFAOYSA-N 1 2 306.373 3.257 10 30 DGEELO CC(C)[N@H+](CC/C(N)=N/O)Cc1c(Cl)cccc1Cl ZINC000042529159 183280823 /nfs/dbraw/zinc/28/08/23/183280823.db2.gz GNTIIRRYNFSVDG-UHFFFAOYSA-N 1 2 304.221 3.340 10 30 DGEELO CC(C)[N@@H+](CC/C(N)=N/O)Cc1c(Cl)cccc1Cl ZINC000042529159 183280824 /nfs/dbraw/zinc/28/08/24/183280824.db2.gz GNTIIRRYNFSVDG-UHFFFAOYSA-N 1 2 304.221 3.340 10 30 DGEELO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065398204 184335924 /nfs/dbraw/zinc/33/59/24/184335924.db2.gz HCGRHDIGAMKEQD-CQSZACIVSA-N 1 2 314.454 3.249 10 30 DGEELO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065398204 184335927 /nfs/dbraw/zinc/33/59/27/184335927.db2.gz HCGRHDIGAMKEQD-CQSZACIVSA-N 1 2 314.454 3.249 10 30 DGEELO CCC1(CC)C[N@@H+]([C@H](C)c2cccc(C#N)c2)CC[S@@]1=O ZINC000249404886 285072271 /nfs/dbraw/zinc/07/22/71/285072271.db2.gz WDODHFQPKVAMKJ-SZNDQCEHSA-N 1 2 304.459 3.242 10 30 DGEELO CCC1(CC)C[N@H+]([C@H](C)c2cccc(C#N)c2)CC[S@@]1=O ZINC000249404886 285072274 /nfs/dbraw/zinc/07/22/74/285072274.db2.gz WDODHFQPKVAMKJ-SZNDQCEHSA-N 1 2 304.459 3.242 10 30 DGEELO C=CCCC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000617416871 400384474 /nfs/dbraw/zinc/38/44/74/400384474.db2.gz AZAAWIFWZFFABA-OAHLLOKOSA-N 1 2 301.434 3.088 10 30 DGEELO C=CCCC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000617417921 400385726 /nfs/dbraw/zinc/38/57/26/400385726.db2.gz LWZZXQUCYGKNBS-OAHLLOKOSA-N 1 2 301.434 3.088 10 30 DGEELO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000611587723 400427626 /nfs/dbraw/zinc/42/76/26/400427626.db2.gz PMXVXDMWDHXULA-JTQLQIEISA-N 1 2 304.394 3.071 10 30 DGEELO C=C(C)C[C@H]([NH2+]Cc1ccc(CC(F)(F)F)cc1)C(=O)OC ZINC000602737981 400557842 /nfs/dbraw/zinc/55/78/42/400557842.db2.gz FBTLHOJOZFNKIH-AWEZNQCLSA-N 1 2 315.335 3.389 10 30 DGEELO C=C(C)C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C(=O)OC ZINC000602735282 400558837 /nfs/dbraw/zinc/55/88/37/400558837.db2.gz UDJXZDSLRLEYIM-MOQPWLNLSA-N 1 2 309.356 3.308 10 30 DGEELO C=CC[C@@H]1N(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1(C)C ZINC000614054925 400831595 /nfs/dbraw/zinc/83/15/95/400831595.db2.gz IACIMMUFEZCNJH-BBRMVZONSA-N 1 2 301.434 3.108 10 30 DGEELO C=CC[C@@H]1N(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1(C)C ZINC000614054925 400831601 /nfs/dbraw/zinc/83/16/01/400831601.db2.gz 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C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295171 431505384 /nfs/dbraw/zinc/50/53/84/431505384.db2.gz TYOJTQSOYYKJRU-CZUORRHYSA-N 1 2 309.369 3.315 10 30 DGEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116295171 431505390 /nfs/dbraw/zinc/50/53/90/431505390.db2.gz TYOJTQSOYYKJRU-CZUORRHYSA-N 1 2 309.369 3.315 10 30 DGEELO C=CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000122445927 431832882 /nfs/dbraw/zinc/83/28/82/431832882.db2.gz GYIALZVQJJEGLI-UHFFFAOYSA-N 1 2 300.362 3.123 10 30 DGEELO C=CC[N@H+](Cc1c(C)n[nH]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000122445927 431832885 /nfs/dbraw/zinc/83/28/85/431832885.db2.gz GYIALZVQJJEGLI-UHFFFAOYSA-N 1 2 300.362 3.123 10 30 DGEELO N#Cc1ccc2ncc(C[N@@H+]3CCc4cc(Cl)ccc4C3)n2c1 ZINC000191611542 432283008 /nfs/dbraw/zinc/28/30/08/432283008.db2.gz GSTUWQOMIZWNOV-UHFFFAOYSA-N 1 2 322.799 3.418 10 30 DGEELO N#Cc1ccc2ncc(C[N@H+]3CCc4cc(Cl)ccc4C3)n2c1 ZINC000191611542 432283010 /nfs/dbraw/zinc/28/30/10/432283010.db2.gz GSTUWQOMIZWNOV-UHFFFAOYSA-N 1 2 322.799 3.418 10 30 DGEELO N#Cc1ccc2[nH+]cc(CN3CCc4cc(Cl)ccc4C3)n2c1 ZINC000191611542 432283014 /nfs/dbraw/zinc/28/30/14/432283014.db2.gz GSTUWQOMIZWNOV-UHFFFAOYSA-N 1 2 322.799 3.418 10 30 DGEELO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000249883004 432360924 /nfs/dbraw/zinc/36/09/24/432360924.db2.gz NZHUKORFTAXCQF-DLBZAZTESA-N 1 2 315.461 3.294 10 30 DGEELO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000249883004 432360927 /nfs/dbraw/zinc/36/09/27/432360927.db2.gz NZHUKORFTAXCQF-DLBZAZTESA-N 1 2 315.461 3.294 10 30 DGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccnc1OC ZINC000193319942 432465758 /nfs/dbraw/zinc/46/57/58/432465758.db2.gz PFODUHDZFMOMPB-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccnc1OC ZINC000193319942 432465763 /nfs/dbraw/zinc/46/57/63/432465763.db2.gz PFODUHDZFMOMPB-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1C1CC1 ZINC000155014728 432534406 /nfs/dbraw/zinc/53/44/06/432534406.db2.gz JHHHVAAYDANJLI-UHFFFAOYSA-N 1 2 309.417 3.204 10 30 DGEELO Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1C1CC1 ZINC000155014728 432534410 /nfs/dbraw/zinc/53/44/10/432534410.db2.gz JHHHVAAYDANJLI-UHFFFAOYSA-N 1 2 309.417 3.204 10 30 DGEELO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000159207751 432674170 /nfs/dbraw/zinc/67/41/70/432674170.db2.gz HUCQDIFELYDPJP-SFHVURJKSA-N 1 2 312.369 3.042 10 30 DGEELO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000159207751 432674173 /nfs/dbraw/zinc/67/41/73/432674173.db2.gz HUCQDIFELYDPJP-SFHVURJKSA-N 1 2 312.369 3.042 10 30 DGEELO CCC1(CC)C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC[S@@]1=O ZINC000187727582 432679972 /nfs/dbraw/zinc/67/99/72/432679972.db2.gz WDODHFQPKVAMKJ-QKKBWIMNSA-N 1 2 304.459 3.242 10 30 DGEELO CCC1(CC)C[N@H+]([C@@H](C)c2cccc(C#N)c2)CC[S@@]1=O ZINC000187727582 432679976 /nfs/dbraw/zinc/67/99/76/432679976.db2.gz WDODHFQPKVAMKJ-QKKBWIMNSA-N 1 2 304.459 3.242 10 30 DGEELO Cn1ccc2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c21 ZINC000189185773 432768931 /nfs/dbraw/zinc/76/89/31/432768931.db2.gz KGTXTDNJMQAWKO-UHFFFAOYSA-N 1 2 301.353 3.310 10 30 DGEELO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330285911 432902206 /nfs/dbraw/zinc/90/22/06/432902206.db2.gz ZKHXFCYEXTXYRZ-GVDBMIGSSA-N 1 2 316.449 3.230 10 30 DGEELO [O-]C(=[NH+][C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330285911 432902208 /nfs/dbraw/zinc/90/22/08/432902208.db2.gz ZKHXFCYEXTXYRZ-GVDBMIGSSA-N 1 2 316.449 3.230 10 30 DGEELO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000337429905 433232970 /nfs/dbraw/zinc/23/29/70/433232970.db2.gz AUENUFSHTGYVOD-LJQANCHMSA-N 1 2 316.420 3.066 10 30 DGEELO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000337429905 433232978 /nfs/dbraw/zinc/23/29/78/433232978.db2.gz AUENUFSHTGYVOD-LJQANCHMSA-N 1 2 316.420 3.066 10 30 DGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(C#N)c1)C2 ZINC000376629108 433790736 /nfs/dbraw/zinc/79/07/36/433790736.db2.gz VCCVIDMBRWNREJ-CYBMUJFWSA-N 1 2 308.385 3.148 10 30 DGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000376629108 433790747 /nfs/dbraw/zinc/79/07/47/433790747.db2.gz VCCVIDMBRWNREJ-CYBMUJFWSA-N 1 2 308.385 3.148 10 30 DGEELO COc1ccc([NH+]2CCC(Nc3ccc(C)c(C#N)n3)CC2)cc1 ZINC000302678867 433830053 /nfs/dbraw/zinc/83/00/53/433830053.db2.gz VTSNYCRWBGORHN-UHFFFAOYSA-N 1 2 322.412 3.351 10 30 DGEELO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378057218 434071565 /nfs/dbraw/zinc/07/15/65/434071565.db2.gz KCLJUYAGSNUSED-MRXNPFEDSA-N 1 2 324.428 3.055 10 30 DGEELO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378057218 434071575 /nfs/dbraw/zinc/07/15/75/434071575.db2.gz KCLJUYAGSNUSED-MRXNPFEDSA-N 1 2 324.428 3.055 10 30 DGEELO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000358559902 434397073 /nfs/dbraw/zinc/39/70/73/434397073.db2.gz DWBNAIRLLLDXQL-GHMZBOCLSA-N 1 2 301.369 3.351 10 30 DGEELO 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C=CCNc1[nH+]cnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040708987 183120451 /nfs/dbraw/zinc/12/04/51/183120451.db2.gz MPBMKHUUUMEBEF-UHFFFAOYSA-N 1 2 309.295 3.419 10 30 DGEELO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157858897 197221732 /nfs/dbraw/zinc/22/17/32/197221732.db2.gz MYNUTWRIIHFBKY-OAHLLOKOSA-N 1 2 302.374 3.332 10 30 DGEELO N#Cc1ccc(F)c(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157858897 197221734 /nfs/dbraw/zinc/22/17/34/197221734.db2.gz MYNUTWRIIHFBKY-OAHLLOKOSA-N 1 2 302.374 3.332 10 30 DGEELO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1F ZINC000343769764 254186216 /nfs/dbraw/zinc/18/62/16/254186216.db2.gz JZGFCNJADDPZIJ-AEFFLSMTSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1F ZINC000343769764 254186218 /nfs/dbraw/zinc/18/62/18/254186218.db2.gz JZGFCNJADDPZIJ-AEFFLSMTSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000155241168 197035458 /nfs/dbraw/zinc/03/54/58/197035458.db2.gz 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CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000376629111 433790122 /nfs/dbraw/zinc/79/01/22/433790122.db2.gz VCCVIDMBRWNREJ-ZDUSSCGKSA-N 1 2 308.385 3.148 10 30 DGEELO C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456730537 433797273 /nfs/dbraw/zinc/79/72/73/433797273.db2.gz UURSHFRFABJRIZ-STQMWFEESA-N 1 2 315.417 3.439 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCC1(C)C)CCC2 ZINC000328732868 434304001 /nfs/dbraw/zinc/30/40/01/434304001.db2.gz XSLYIINWDWXUGV-KBPBESRZSA-N 1 2 304.438 3.151 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCC1(C)C)CCC2 ZINC000328732870 434304723 /nfs/dbraw/zinc/30/47/23/434304723.db2.gz XSLYIINWDWXUGV-UONOGXRCSA-N 1 2 304.438 3.151 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1CCCCC1)C2 ZINC000329236889 434377936 /nfs/dbraw/zinc/37/79/36/434377936.db2.gz OQZAOCPVSZJVLE-AWEZNQCLSA-N 1 2 318.465 3.332 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1CCCCC1)C2 ZINC000329236889 434377938 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DGEELO C=CCNc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040709133 183121244 /nfs/dbraw/zinc/12/12/44/183121244.db2.gz HBLBHVVRTZSMCD-UHFFFAOYSA-N 1 2 309.295 3.419 10 30 DGEELO N/C(CCCOc1ccc(Br)cc1Cl)=[NH+]\O ZINC000034938937 400386419 /nfs/dbraw/zinc/38/64/19/400386419.db2.gz YZTALDHWCXZFRV-UHFFFAOYSA-N 1 2 307.575 3.008 10 30 DGEELO C[C@@H]1CSC(Nc2cccc(I)c2)=[NH+]1 ZINC000035286950 400387773 /nfs/dbraw/zinc/38/77/73/400387773.db2.gz WIDDDTPLYTYCLJ-SSDOTTSWSA-N 1 2 318.183 3.004 10 30 DGEELO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120725960 400448250 /nfs/dbraw/zinc/44/82/50/400448250.db2.gz QISCLNUSNYNXLF-RKDXNWHRSA-N 1 2 319.207 3.474 10 30 DGEELO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)OC)c2ccc(OC)cc2)C1 ZINC000593617616 400882562 /nfs/dbraw/zinc/88/25/62/400882562.db2.gz ZSQCCKKYUAAABP-UKPHBRMFSA-N 1 2 303.402 3.244 10 30 DGEELO C=C[C@H](C(=O)OC)[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000619722220 400894257 /nfs/dbraw/zinc/89/42/57/400894257.db2.gz 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/nfs/dbraw/zinc/77/43/95/433774395.db2.gz DTUUBTCIYXZWME-QZTJIDSGSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339778588 433774405 /nfs/dbraw/zinc/77/44/05/433774405.db2.gz DTUUBTCIYXZWME-QZTJIDSGSA-N 1 2 314.335 3.144 10 30 DGEELO CN(Cc1[nH+]ccn1C)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301926146 433798797 /nfs/dbraw/zinc/79/87/97/433798797.db2.gz MSKZXIWLLXIQHE-UHFFFAOYSA-N 1 2 311.776 3.130 10 30 DGEELO C=CCCCCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377046768 433846223 /nfs/dbraw/zinc/84/62/23/433846223.db2.gz ZDWYKRDHIPLDKV-UHFFFAOYSA-N 1 2 304.438 3.435 10 30 DGEELO C=CCCCCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377046768 433846230 /nfs/dbraw/zinc/84/62/30/433846230.db2.gz ZDWYKRDHIPLDKV-UHFFFAOYSA-N 1 2 304.438 3.435 10 30 DGEELO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340235728 434002515 /nfs/dbraw/zinc/00/25/15/434002515.db2.gz JHGJJBOKKDBVQZ-YJBOKZPZSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340235728 434002523 /nfs/dbraw/zinc/00/25/23/434002523.db2.gz JHGJJBOKKDBVQZ-YJBOKZPZSA-N 1 2 314.335 3.144 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)CCC2 ZINC000328662116 434297386 /nfs/dbraw/zinc/29/73/86/434297386.db2.gz XDWINZIUPQZAOP-VNQPRFMTSA-N 1 2 318.465 3.493 10 30 DGEELO C[C@@H]1C[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000328904190 434324115 /nfs/dbraw/zinc/32/41/15/434324115.db2.gz IYIJYTONWOPHCG-KGLIPLIRSA-N 1 2 315.417 3.012 10 30 DGEELO C=C(Br)C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000366739937 434499659 /nfs/dbraw/zinc/49/96/59/434499659.db2.gz NJPYNNVRUPVEAE-UHFFFAOYSA-N 1 2 308.219 3.198 10 30 DGEELO C=C(Br)C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000366739937 434499667 /nfs/dbraw/zinc/49/96/67/434499667.db2.gz NJPYNNVRUPVEAE-UHFFFAOYSA-N 1 2 308.219 3.198 10 30 DGEELO C=CC(C)(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000451030042 434540918 /nfs/dbraw/zinc/54/09/18/434540918.db2.gz 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C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000493080213 435104420 /nfs/dbraw/zinc/10/44/20/435104420.db2.gz OVNRKINTCSHCJM-QZTJIDSGSA-N 1 2 316.445 3.000 10 30 DGEELO C=C(C)[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000566451959 435286573 /nfs/dbraw/zinc/28/65/73/435286573.db2.gz UYFODSBLGXCQSU-INIZCTEOSA-N 1 2 308.372 3.040 10 30 DGEELO C=C(C)C[C@H](C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000185192255 335118113 /nfs/dbraw/zinc/11/81/13/335118113.db2.gz KDAYGLAHXPQWEI-HNNXBMFYSA-N 1 2 301.434 3.290 10 30 DGEELO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1(C#N)CC1 ZINC000547841079 341236989 /nfs/dbraw/zinc/23/69/89/341236989.db2.gz ITHIISSSRHRDIW-ILXRZTDVSA-N 1 2 304.434 3.265 10 30 DGEELO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC1(C#N)CC1 ZINC000547841079 341236990 /nfs/dbraw/zinc/23/69/90/341236990.db2.gz ITHIISSSRHRDIW-ILXRZTDVSA-N 1 2 304.434 3.265 10 30 DGEELO C=CCC1(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CCOCC1 ZINC000520220270 500574961 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ZINC000353655337 527510202 /nfs/dbraw/zinc/51/02/02/527510202.db2.gz GQXNTUYGSPBVGJ-AWEZNQCLSA-N 1 2 310.401 3.207 10 30 DGEELO C=CCCc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353655337 527510207 /nfs/dbraw/zinc/51/02/07/527510207.db2.gz GQXNTUYGSPBVGJ-AWEZNQCLSA-N 1 2 310.401 3.207 10 30 DGEELO C=CCN(CC(F)(F)F)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000355376113 527588328 /nfs/dbraw/zinc/58/83/28/527588328.db2.gz NKVAHLKQRPGXKI-UHFFFAOYSA-N 1 2 311.307 3.072 10 30 DGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614660 527635350 /nfs/dbraw/zinc/63/53/50/527635350.db2.gz NDCPCYQNNNGAFP-HNNXBMFYSA-N 1 2 323.440 3.115 10 30 DGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614660 527635355 /nfs/dbraw/zinc/63/53/55/527635355.db2.gz NDCPCYQNNNGAFP-HNNXBMFYSA-N 1 2 323.440 3.115 10 30 DGEELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc3c(c1)COC3)CCC2 ZINC000328806850 546481375 /nfs/dbraw/zinc/48/13/75/546481375.db2.gz MAKPGKUJCXDHCY-CQSZACIVSA-N 1 2 311.385 3.104 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1(C)CCCC1)C2 ZINC000329308967 546485245 /nfs/dbraw/zinc/48/52/45/546485245.db2.gz ZBAJHMKCTLJXIM-ZDUSSCGKSA-N 1 2 318.465 3.332 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1(C)CCCC1)C2 ZINC000329308967 546485249 /nfs/dbraw/zinc/48/52/49/546485249.db2.gz ZBAJHMKCTLJXIM-ZDUSSCGKSA-N 1 2 318.465 3.332 10 30 DGEELO C=C(Br)C[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741812391 574972520 /nfs/dbraw/zinc/97/25/20/574972520.db2.gz ZUXBZDMVAKQIJJ-UHFFFAOYSA-N 1 2 324.262 3.495 10 30 DGEELO COc1cccc2c1OC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000180312612 655963681 /nfs/dbraw/zinc/96/36/81/655963681.db2.gz OWOVDGTXQNBCDQ-ZRDIBKRKSA-N 1 2 306.321 3.002 10 30 DGEELO C=CCCC[N@@H+](C)Cn1ncn(-c2ccccc2OC)c1=S ZINC000076664708 657360222 /nfs/dbraw/zinc/36/02/22/657360222.db2.gz PTBLVWRCHZSUCZ-UHFFFAOYSA-N 1 2 318.446 3.267 10 30 DGEELO C=CCCC[N@H+](C)Cn1ncn(-c2ccccc2OC)c1=S ZINC000076664708 657360228 /nfs/dbraw/zinc/36/02/28/657360228.db2.gz PTBLVWRCHZSUCZ-UHFFFAOYSA-N 1 2 318.446 3.267 10 30 DGEELO N#CCC[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227777900 659163618 /nfs/dbraw/zinc/16/36/18/659163618.db2.gz OPGXIWIKHCBMGJ-UHFFFAOYSA-N 1 2 324.041 3.276 10 30 DGEELO CCOc1cccc(/C=[NH+]/CCc2ncc(CC)s2)c1O ZINC000173990344 659408033 /nfs/dbraw/zinc/40/80/33/659408033.db2.gz WLAHGWRQRMZXGC-LICLKQGHSA-N 1 2 304.415 3.471 10 30 DGEELO C(#Cc1ccccc1)C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000192150294 662088908 /nfs/dbraw/zinc/08/89/08/662088908.db2.gz CNHQZLLFAZAMPH-NRFANRHFSA-N 1 2 304.437 3.465 10 30 DGEELO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768457 662359502 /nfs/dbraw/zinc/35/95/02/662359502.db2.gz FTJDLESSLQVDTR-GOSISDBHSA-N 1 2 313.422 3.334 10 30 DGEELO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000093768457 662359506 /nfs/dbraw/zinc/35/95/06/662359506.db2.gz FTJDLESSLQVDTR-GOSISDBHSA-N 1 2 313.422 3.334 10 30 DGEELO N#Cc1csc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000714923097 1087680857 /nfs/dbraw/zinc/68/08/57/1087680857.db2.gz VGBOMTQMUZRCKD-UHFFFAOYSA-N 1 2 314.233 3.129 10 30 DGEELO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000005559723 181257362 /nfs/dbraw/zinc/25/73/62/181257362.db2.gz IXJFDCWNBWBFHL-GFCCVEGCSA-N 1 2 317.458 3.311 10 30 DGEELO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000005559723 181257363 /nfs/dbraw/zinc/25/73/63/181257363.db2.gz IXJFDCWNBWBFHL-GFCCVEGCSA-N 1 2 317.458 3.311 10 30 DGEELO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC000180114996 432078968 /nfs/dbraw/zinc/07/89/68/432078968.db2.gz YIZXVVMUIFTJFD-UHFFFAOYSA-N 1 2 319.817 3.344 10 30 DGEELO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC000180114996 432078970 /nfs/dbraw/zinc/07/89/70/432078970.db2.gz YIZXVVMUIFTJFD-UHFFFAOYSA-N 1 2 319.817 3.344 10 30 DGEELO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)o1 ZINC000194946000 201315657 /nfs/dbraw/zinc/31/56/57/201315657.db2.gz GKFJSDLLJGNQLP-UHFFFAOYSA-N 1 2 316.788 3.288 10 30 DGEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246252321 432112165 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Cc1csc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249408601 285072925 /nfs/dbraw/zinc/07/29/25/285072925.db2.gz XHNWLXUSNCJSOC-CZUORRHYSA-N 1 2 313.426 3.458 10 30 DGEELO Cc1csc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000249408601 285072926 /nfs/dbraw/zinc/07/29/26/285072926.db2.gz XHNWLXUSNCJSOC-CZUORRHYSA-N 1 2 313.426 3.458 10 30 DGEELO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)ccc1F ZINC000343696565 254178621 /nfs/dbraw/zinc/17/86/21/254178621.db2.gz YGHDCSBGDVFMOJ-SJLPKXTDSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)ccc1F ZINC000343696565 254178622 /nfs/dbraw/zinc/17/86/22/254178622.db2.gz YGHDCSBGDVFMOJ-SJLPKXTDSA-N 1 2 314.335 3.144 10 30 DGEELO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000617040072 400290081 /nfs/dbraw/zinc/29/00/81/400290081.db2.gz PFYWLEZIWLUOGN-RDJZCZTQSA-N 1 2 311.429 3.436 10 30 DGEELO C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000612204193 400507332 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C=CCCC(C)(C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000631447917 401472109 /nfs/dbraw/zinc/47/21/09/401472109.db2.gz GUUMWVUMXNUOQY-CABCVRRESA-N 1 2 318.465 3.088 10 30 DGEELO C=CCCC(C)(C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000631447917 401472110 /nfs/dbraw/zinc/47/21/10/401472110.db2.gz GUUMWVUMXNUOQY-CABCVRRESA-N 1 2 318.465 3.088 10 30 DGEELO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627762688 401491888 /nfs/dbraw/zinc/49/18/88/401491888.db2.gz MPOMEQQNNXVDBU-ZWKOTPCHSA-N 1 2 323.440 3.058 10 30 DGEELO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]2COC)cc1OC ZINC000628294287 401569400 /nfs/dbraw/zinc/56/94/00/401569400.db2.gz MKORIPLUFCHCCP-CYBMUJFWSA-N 1 2 311.809 3.134 10 30 DGEELO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]2COC)cc1OC ZINC000628294287 401569402 /nfs/dbraw/zinc/56/94/02/401569402.db2.gz MKORIPLUFCHCCP-CYBMUJFWSA-N 1 2 311.809 3.134 10 30 DGEELO C=CC(C)(C)CCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000628313417 401574668 /nfs/dbraw/zinc/57/46/68/401574668.db2.gz OMICHFZDOLBANG-UHFFFAOYSA-N 1 2 321.371 3.341 10 30 DGEELO C=CC(C)(C)CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000624340649 401653625 /nfs/dbraw/zinc/65/36/25/401653625.db2.gz FBMCYBISCDKRBP-UHFFFAOYSA-N 1 2 316.449 3.083 10 30 DGEELO Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)[nH+]c1C ZINC000185373459 165003248 /nfs/dbraw/zinc/00/32/48/165003248.db2.gz JDYKATJBPIJZGN-UHFFFAOYSA-N 1 2 303.369 3.185 10 30 DGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000192070022 165281636 /nfs/dbraw/zinc/28/16/36/165281636.db2.gz RWQDOPFXUYEJNB-MRXNPFEDSA-N 1 2 302.374 3.332 10 30 DGEELO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000192070022 165281638 /nfs/dbraw/zinc/28/16/38/165281638.db2.gz RWQDOPFXUYEJNB-MRXNPFEDSA-N 1 2 302.374 3.332 10 30 DGEELO C#Cc1cccc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182908158 432241506 /nfs/dbraw/zinc/24/15/06/432241506.db2.gz JLRHTYNQBAJWGU-UHFFFAOYSA-N 1 2 322.412 3.115 10 30 DGEELO C=CCCCCCN(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000606895617 430555759 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Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c(C#N)c1C ZINC000116289555 431498949 /nfs/dbraw/zinc/49/89/49/431498949.db2.gz JMWXYKWCEKBFLC-CQSZACIVSA-N 1 2 313.357 3.137 10 30 DGEELO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000121208699 431754221 /nfs/dbraw/zinc/75/42/21/431754221.db2.gz NLJLLCOYEKOBHS-QGZVFWFLSA-N 1 2 314.410 3.202 10 30 DGEELO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000121208699 431754225 /nfs/dbraw/zinc/75/42/25/431754225.db2.gz NLJLLCOYEKOBHS-QGZVFWFLSA-N 1 2 314.410 3.202 10 30 DGEELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000192012254 432324139 /nfs/dbraw/zinc/32/41/39/432324139.db2.gz MVEXRBBQTXAFNC-UHFFFAOYSA-N 1 2 312.392 3.113 10 30 DGEELO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248606110 432304628 /nfs/dbraw/zinc/30/46/28/432304628.db2.gz CPAYYOIYWTZHTR-VUCTXSBTSA-N 1 2 322.399 3.429 10 30 DGEELO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248606110 432304632 /nfs/dbraw/zinc/30/46/32/432304632.db2.gz CPAYYOIYWTZHTR-VUCTXSBTSA-N 1 2 322.399 3.429 10 30 DGEELO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cn(-c2ccccc2)nn1 ZINC000154106001 432473396 /nfs/dbraw/zinc/47/33/96/432473396.db2.gz MUSAPPHULCXCNR-GFCCVEGCSA-N 1 2 309.398 3.051 10 30 DGEELO CCC1(CC)C[N@H+](CC#Cc2ccc(Cl)cc2)CC[S@]1=O ZINC000185275458 432485768 /nfs/dbraw/zinc/48/57/68/432485768.db2.gz QQVKUIHJRDWSQQ-OAQYLSRUSA-N 1 2 323.889 3.315 10 30 DGEELO CCC1(CC)C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[S@]1=O ZINC000185275458 432485770 /nfs/dbraw/zinc/48/57/70/432485770.db2.gz QQVKUIHJRDWSQQ-OAQYLSRUSA-N 1 2 323.889 3.315 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000185858942 432540211 /nfs/dbraw/zinc/54/02/11/432540211.db2.gz FXCSJOOLFYBZOS-MRXNPFEDSA-N 1 2 316.445 3.368 10 30 DGEELO CSc1c2c(ccc1C[N@H+](C)CC#C[Si](C)(C)C)OCO2 ZINC000195843235 432635558 /nfs/dbraw/zinc/63/55/58/432635558.db2.gz DSEWJLJBVHDOBY-UHFFFAOYSA-N 1 2 321.518 3.450 10 30 DGEELO CSc1c2c(ccc1C[N@@H+](C)CC#C[Si](C)(C)C)OCO2 ZINC000195843235 432635562 /nfs/dbraw/zinc/63/55/62/432635562.db2.gz DSEWJLJBVHDOBY-UHFFFAOYSA-N 1 2 321.518 3.450 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCC[C@H](C)C1)CCC2 ZINC000330083738 432891733 /nfs/dbraw/zinc/89/17/33/432891733.db2.gz BOVHKMYSDOQZQR-ZFWWWQNUSA-N 1 2 304.438 3.105 10 30 DGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000374990863 433326558 /nfs/dbraw/zinc/32/65/58/433326558.db2.gz VQVSRZSJTYGBHH-AWEZNQCLSA-N 1 2 320.458 3.014 10 30 DGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000374990863 433326568 /nfs/dbraw/zinc/32/65/68/433326568.db2.gz VQVSRZSJTYGBHH-AWEZNQCLSA-N 1 2 320.458 3.014 10 30 DGEELO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339778589 433777088 /nfs/dbraw/zinc/77/70/88/433777088.db2.gz DTUUBTCIYXZWME-ROUUACIJSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339778589 433777096 /nfs/dbraw/zinc/77/70/96/433777096.db2.gz DTUUBTCIYXZWME-ROUUACIJSA-N 1 2 314.335 3.144 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](C)C[C@H](C)C1)CCC2 ZINC000328659056 434298555 /nfs/dbraw/zinc/29/85/55/434298555.db2.gz SBHOEDZHXJVMBU-DZKIICNBSA-N 1 2 318.465 3.351 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N([C@H](C)C(C)C)C1CC1)CCC2 ZINC000328701034 434300989 /nfs/dbraw/zinc/30/09/89/434300989.db2.gz IZHAYFZYDHEVKT-CABCVRRESA-N 1 2 318.465 3.492 10 30 DGEELO C=C(C)[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccc(F)c(F)c1 ZINC000450765414 434394614 /nfs/dbraw/zinc/39/46/14/434394614.db2.gz AXFFCKFTUXRURZ-QGZVFWFLSA-N 1 2 318.371 3.373 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000366926468 434533882 /nfs/dbraw/zinc/53/38/82/434533882.db2.gz QVEIXIDYGMRLAL-CJNGLKHVSA-N 1 2 306.837 3.415 10 30 DGEELO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)ccc1C#N ZINC000367828787 434558998 /nfs/dbraw/zinc/55/89/98/434558998.db2.gz IEISSQWKVHQTAC-MOPGFXCFSA-N 1 2 317.392 3.306 10 30 DGEELO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)ccc1C#N ZINC000367828787 434559004 /nfs/dbraw/zinc/55/90/04/434559004.db2.gz IEISSQWKVHQTAC-MOPGFXCFSA-N 1 2 317.392 3.306 10 30 DGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnc(C)cn1 ZINC000411191150 434740714 /nfs/dbraw/zinc/74/07/14/434740714.db2.gz IUTSTHFSJJJIFH-CQSZACIVSA-N 1 2 312.373 3.442 10 30 DGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnc(C)cn1 ZINC000411191150 434740721 /nfs/dbraw/zinc/74/07/21/434740721.db2.gz IUTSTHFSJJJIFH-CQSZACIVSA-N 1 2 312.373 3.442 10 30 DGEELO C=CCC1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCOCC1 ZINC000424636677 434765763 /nfs/dbraw/zinc/76/57/63/434765763.db2.gz BGKMPAUDTHIVLY-UHFFFAOYSA-N 1 2 311.385 3.388 10 30 DGEELO C=CCCCCCN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000466071909 435059403 /nfs/dbraw/zinc/05/94/03/435059403.db2.gz AWFGNFSSDRKBCV-UHFFFAOYSA-N 1 2 306.454 3.427 10 30 DGEELO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000516965317 435565413 /nfs/dbraw/zinc/56/54/13/435565413.db2.gz PRVYUMZHBIZGAM-UHFFFAOYSA-N 1 2 311.385 3.184 10 30 DGEELO C=CC1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000111463476 334327653 /nfs/dbraw/zinc/32/76/53/334327653.db2.gz WCPPYURPOBKDID-UHFFFAOYSA-N 1 2 318.808 3.095 10 30 DGEELO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](CC(C)C)C(=O)OC ZINC000512542423 340366210 /nfs/dbraw/zinc/36/62/10/340366210.db2.gz OZMMAZXBXJCLOB-KRWDZBQOSA-N 1 2 321.465 3.430 10 30 DGEELO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](CC(C)C)C(=O)OC ZINC000512542423 340366211 /nfs/dbraw/zinc/36/62/11/340366211.db2.gz OZMMAZXBXJCLOB-KRWDZBQOSA-N 1 2 321.465 3.430 10 30 DGEELO C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876485 341154163 /nfs/dbraw/zinc/15/41/63/341154163.db2.gz XRNPFZWYWJWYDJ-OAHLLOKOSA-N 1 2 310.401 3.317 10 30 DGEELO C[C@@H]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000329439834 534269878 /nfs/dbraw/zinc/26/98/78/534269878.db2.gz MRVJYRCTKLPANK-MNOVXSKESA-N 1 2 316.430 3.315 10 30 DGEELO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000494668587 534547833 /nfs/dbraw/zinc/54/78/33/534547833.db2.gz RXLYGABTKJLEHL-GOSISDBHSA-N 1 2 324.428 3.182 10 30 DGEELO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1C#N ZINC000428959600 526560381 /nfs/dbraw/zinc/56/03/81/526560381.db2.gz YQSAGCAMYCDMRE-UHFFFAOYSA-N 1 2 314.360 3.361 10 30 DGEELO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1C#N ZINC000428959600 526560384 /nfs/dbraw/zinc/56/03/84/526560384.db2.gz YQSAGCAMYCDMRE-UHFFFAOYSA-N 1 2 314.360 3.361 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185267886 526699345 /nfs/dbraw/zinc/69/93/45/526699345.db2.gz KOJQGMOFUWKCGW-CYBMUJFWSA-N 1 2 301.365 3.230 10 30 DGEELO C=C(C)C[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185267870 526711799 /nfs/dbraw/zinc/71/17/99/526711799.db2.gz KOJQGMOFUWKCGW-ZDUSSCGKSA-N 1 2 301.365 3.230 10 30 DGEELO C[C@H]1C[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000151096078 545990661 /nfs/dbraw/zinc/99/06/61/545990661.db2.gz FKLKMBFTXWICMA-STQMWFEESA-N 1 2 313.319 3.046 10 30 DGEELO C=CCCCCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739930618 574916219 /nfs/dbraw/zinc/91/62/19/574916219.db2.gz NMALYUTXNWGFAW-KRWDZBQOSA-N 1 2 300.402 3.451 10 30 DGEELO C=CCCCCC[N@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739930618 574916222 /nfs/dbraw/zinc/91/62/22/574916222.db2.gz NMALYUTXNWGFAW-KRWDZBQOSA-N 1 2 300.402 3.451 10 30 DGEELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2cccc(F)c2C#N)C1 ZINC000888102891 618626305 /nfs/dbraw/zinc/62/63/05/618626305.db2.gz SUHHKLFEQJNVHL-WBMJQRKESA-N 1 2 314.364 3.004 10 30 DGEELO O=C(c1ccccc1)N1CCC(C/[NH+]=C/c2ccccc2O)CC1 ZINC000150942528 620409804 /nfs/dbraw/zinc/40/98/04/620409804.db2.gz ZIVIMJDMPABFNC-RCCKNPSSSA-N 1 2 322.408 3.364 10 30 DGEELO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120907562 622046784 /nfs/dbraw/zinc/04/67/84/622046784.db2.gz LOCCRKIQJJIGQK-SWLSCSKDSA-N 1 2 305.809 3.315 10 30 DGEELO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000120907562 622046788 /nfs/dbraw/zinc/04/67/88/622046788.db2.gz LOCCRKIQJJIGQK-SWLSCSKDSA-N 1 2 305.809 3.315 10 30 DGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715796908 661214478 /nfs/dbraw/zinc/21/44/78/661214478.db2.gz OXYIXFCDNNBMCE-PELKAZGASA-N 1 2 313.170 3.076 10 30 DGEELO C=CC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000119582957 1200088764 /nfs/dbraw/zinc/08/87/64/1200088764.db2.gz FATHBDWOWKGHLK-UHFFFAOYSA-N 1 2 321.012 3.193 10 30 DGEELO CCc1ccccc1NC(=O)CNc1cc(C)[nH+]c(C)c1C#N ZINC000301811767 529594234 /nfs/dbraw/zinc/59/42/34/529594234.db2.gz ZRKFBWFZPVMUPR-UHFFFAOYSA-N 1 2 308.385 3.183 10 30 DGEELO CCCCCCCCCCCc1nc(N(C)C)nc(NCO)[nH+]1 ZINC000103600349 432011891 /nfs/dbraw/zinc/01/18/91/432011891.db2.gz TTXOADJXVZKRHD-UHFFFAOYSA-N 1 2 323.485 3.373 10 30 DGEELO CCCCCCCCCCCc1nc(NCO)nc(N(C)C)[nH+]1 ZINC000103600349 432011892 /nfs/dbraw/zinc/01/18/92/432011892.db2.gz TTXOADJXVZKRHD-UHFFFAOYSA-N 1 2 323.485 3.373 10 30 DGEELO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253395348 186304449 /nfs/dbraw/zinc/30/44/49/186304449.db2.gz RZCKYPHUZDLKRM-YJBOKZPZSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253395348 186304451 /nfs/dbraw/zinc/30/44/51/186304451.db2.gz RZCKYPHUZDLKRM-YJBOKZPZSA-N 1 2 314.335 3.144 10 30 DGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162771599 283065190 /nfs/dbraw/zinc/06/51/90/283065190.db2.gz OPHWIIQYDRWEQI-SKDRFNHKSA-N 1 2 324.178 3.139 10 30 DGEELO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339778591 283152026 /nfs/dbraw/zinc/15/20/26/283152026.db2.gz DTUUBTCIYXZWME-ZWKOTPCHSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339778591 283152029 /nfs/dbraw/zinc/15/20/29/283152029.db2.gz DTUUBTCIYXZWME-ZWKOTPCHSA-N 1 2 314.335 3.144 10 30 DGEELO COc1ccc2nc(NC3=NC(=[NH2+])c4ccccc43)sc2c1 ZINC000040802652 183136206 /nfs/dbraw/zinc/13/62/06/183136206.db2.gz BZRGDKSZODYIPM-UHFFFAOYSA-N 1 2 308.366 3.102 10 30 DGEELO N#Cc1c(C[N@@H+]2CCO[C@H](c3cccs3)C2)cn2ccccc12 ZINC000157621099 197202691 /nfs/dbraw/zinc/20/26/91/197202691.db2.gz OMMCRRVMIGCCTC-KRWDZBQOSA-N 1 2 323.421 3.446 10 30 DGEELO N#Cc1c(C[N@H+]2CCO[C@H](c3cccs3)C2)cn2ccccc12 ZINC000157621099 197202693 /nfs/dbraw/zinc/20/26/93/197202693.db2.gz OMMCRRVMIGCCTC-KRWDZBQOSA-N 1 2 323.421 3.446 10 30 DGEELO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1C#N ZINC000066851463 400124178 /nfs/dbraw/zinc/12/41/78/400124178.db2.gz GHTJJZMOKHYZKI-UZLBHIALSA-N 1 2 322.408 3.399 10 30 DGEELO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC000066851463 400124183 /nfs/dbraw/zinc/12/41/83/400124183.db2.gz GHTJJZMOKHYZKI-UZLBHIALSA-N 1 2 322.408 3.399 10 30 DGEELO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1C#N ZINC000066851464 400124527 /nfs/dbraw/zinc/12/45/27/400124527.db2.gz GHTJJZMOKHYZKI-JXFKEZNVSA-N 1 2 322.408 3.399 10 30 DGEELO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC000066851464 400124530 /nfs/dbraw/zinc/12/45/30/400124530.db2.gz GHTJJZMOKHYZKI-JXFKEZNVSA-N 1 2 322.408 3.399 10 30 DGEELO N#Cc1cccc(C2(NC(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000610973417 400331403 /nfs/dbraw/zinc/33/14/03/400331403.db2.gz QJNYZDIYOHXWFO-UHFFFAOYSA-N 1 2 317.352 3.017 10 30 DGEELO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000611587727 400427893 /nfs/dbraw/zinc/42/78/93/400427893.db2.gz PMXVXDMWDHXULA-SNVBAGLBSA-N 1 2 304.394 3.071 10 30 DGEELO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000602733848 400557012 /nfs/dbraw/zinc/55/70/12/400557012.db2.gz LUDAYKHGMQMQFP-DZGCQCFKSA-N 1 2 320.389 3.013 10 30 DGEELO C=C(C)C[C@@H]([NH2+]Cc1ccc(CC(F)(F)F)cc1)C(=O)OC ZINC000602737982 400558827 /nfs/dbraw/zinc/55/88/27/400558827.db2.gz FBTLHOJOZFNKIH-CQSZACIVSA-N 1 2 315.335 3.389 10 30 DGEELO C=CCN(CCC#N)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000603021837 400626206 /nfs/dbraw/zinc/62/62/06/400626206.db2.gz MUJOGYZCMMGSOW-UHFFFAOYSA-N 1 2 323.400 3.234 10 30 DGEELO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000594435723 401070179 /nfs/dbraw/zinc/07/01/79/401070179.db2.gz JBCSFEPRFIWJNN-NSHDSACASA-N 1 2 316.188 3.049 10 30 DGEELO C=CC[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633616111 401027106 /nfs/dbraw/zinc/02/71/06/401027106.db2.gz HAHRIFXEFNFSBJ-KRWDZBQOSA-N 1 2 309.413 3.230 10 30 DGEELO N#Cc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185876798 165019822 /nfs/dbraw/zinc/01/98/22/165019822.db2.gz VGXDNTXZNJTQTQ-UHFFFAOYSA-N 1 2 300.365 3.305 10 30 DGEELO N#Cc1ccsc1NC(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186179900 165030986 /nfs/dbraw/zinc/03/09/86/165030986.db2.gz ZFWYJOVEHHEPSP-UHFFFAOYSA-N 1 2 323.421 3.106 10 30 DGEELO N#Cc1ccsc1NC(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186179900 165030989 /nfs/dbraw/zinc/03/09/89/165030989.db2.gz ZFWYJOVEHHEPSP-UHFFFAOYSA-N 1 2 323.421 3.106 10 30 DGEELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000186779435 165060158 /nfs/dbraw/zinc/06/01/58/165060158.db2.gz VYBACSXDZKCUHU-INIZCTEOSA-N 1 2 319.836 3.044 10 30 DGEELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000186779435 165060161 /nfs/dbraw/zinc/06/01/61/165060161.db2.gz VYBACSXDZKCUHU-INIZCTEOSA-N 1 2 319.836 3.044 10 30 DGEELO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000186913410 165066136 /nfs/dbraw/zinc/06/61/36/165066136.db2.gz PZFUUDLZQZMADT-UHFFFAOYSA-N 1 2 300.793 3.314 10 30 DGEELO N#Cc1cc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)ccn1 ZINC000193016701 165314635 /nfs/dbraw/zinc/31/46/35/165314635.db2.gz PQVRRUJBYIQZMM-UHFFFAOYSA-N 1 2 316.320 3.393 10 30 DGEELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329905470 287190582 /nfs/dbraw/zinc/19/05/82/287190582.db2.gz ATBSCQVUEGPVGT-CZUORRHYSA-N 1 2 315.417 3.071 10 30 DGEELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329905470 287190587 /nfs/dbraw/zinc/19/05/87/287190587.db2.gz ATBSCQVUEGPVGT-CZUORRHYSA-N 1 2 315.417 3.071 10 30 DGEELO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329280092 287321174 /nfs/dbraw/zinc/32/11/74/287321174.db2.gz MSCCZIWQFVAQEN-ZIAGYGMSSA-N 1 2 318.465 3.141 10 30 DGEELO C[NH+](C)C1(C#N)CCN(c2nc(C3CCCCC3)ns2)CC1 ZINC000333901074 229039938 /nfs/dbraw/zinc/03/99/38/229039938.db2.gz ZFTZQHYSVARRFM-UHFFFAOYSA-N 1 2 319.478 3.010 10 30 DGEELO CC(=O)c1ccc(C#N)c(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000347411768 264216539 /nfs/dbraw/zinc/21/65/39/264216539.db2.gz RVEZFIGMXSREGS-UHFFFAOYSA-N 1 2 322.290 3.132 10 30 DGEELO N#Cc1csc(C[NH2+]Cc2cccc(Br)c2)n1 ZINC000352834927 265190070 /nfs/dbraw/zinc/19/00/70/265190070.db2.gz MIAAJZKFPONIRQ-UHFFFAOYSA-N 1 2 308.204 3.067 10 30 DGEELO Cc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369651792 267390471 /nfs/dbraw/zinc/39/04/71/267390471.db2.gz AGMTWHXRSWVPEK-AWEZNQCLSA-N 1 2 322.412 3.457 10 30 DGEELO Cc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369651792 267390474 /nfs/dbraw/zinc/39/04/74/267390474.db2.gz AGMTWHXRSWVPEK-AWEZNQCLSA-N 1 2 322.412 3.457 10 30 DGEELO C[C@H]1COC[C@H](C)[NH+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151504786 432252070 /nfs/dbraw/zinc/25/20/70/432252070.db2.gz ZMPDIXAJZBBPGL-STQMWFEESA-N 1 2 313.319 3.046 10 30 DGEELO C=CCCCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000076949133 431564965 /nfs/dbraw/zinc/56/49/65/431564965.db2.gz TWSGIJGYLUABLE-UHFFFAOYSA-N 1 2 316.449 3.180 10 30 DGEELO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](CC#Cc2ccccc2)C1 ZINC000192125613 432335014 /nfs/dbraw/zinc/33/50/14/432335014.db2.gz IVXXRQNLWQTVFI-QFBILLFUSA-N 1 2 313.347 3.124 10 30 DGEELO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CC#Cc2ccccc2)C1 ZINC000192125613 432335019 /nfs/dbraw/zinc/33/50/19/432335019.db2.gz IVXXRQNLWQTVFI-QFBILLFUSA-N 1 2 313.347 3.124 10 30 DGEELO C[C@H](NC(=O)c1sccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925836 432309029 /nfs/dbraw/zinc/30/90/29/432309029.db2.gz LKCNWXXFWWBHRB-LBPRGKRZSA-N 1 2 322.393 3.296 10 30 DGEELO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cn(-c2ccccc2)nn1 ZINC000154105633 432472931 /nfs/dbraw/zinc/47/29/31/432472931.db2.gz NMDRRKKUIRMYRT-LBPRGKRZSA-N 1 2 309.398 3.051 10 30 DGEELO CCC1(CC)C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000185263235 432483786 /nfs/dbraw/zinc/48/37/86/432483786.db2.gz VSGBZQHKIZRCAW-QKKBWIMNSA-N 1 2 304.459 3.242 10 30 DGEELO CCC1(CC)C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000185263235 432483788 /nfs/dbraw/zinc/48/37/88/432483788.db2.gz VSGBZQHKIZRCAW-QKKBWIMNSA-N 1 2 304.459 3.242 10 30 DGEELO CCC[N@H+](Cc1nnc(C)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000154886401 432526507 /nfs/dbraw/zinc/52/65/07/432526507.db2.gz VPABJVMAEWGOTO-UHFFFAOYSA-N 1 2 309.417 3.205 10 30 DGEELO CCC[N@@H+](Cc1nnc(C)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000154886401 432526512 /nfs/dbraw/zinc/52/65/12/432526512.db2.gz VPABJVMAEWGOTO-UHFFFAOYSA-N 1 2 309.417 3.205 10 30 DGEELO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000154899966 432527096 /nfs/dbraw/zinc/52/70/96/432527096.db2.gz BRGIWYRGRPOUFO-CYBMUJFWSA-N 1 2 309.417 3.376 10 30 DGEELO CC[N@@H+](Cc1nnc(C)n1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000154899966 432527101 /nfs/dbraw/zinc/52/71/01/432527101.db2.gz BRGIWYRGRPOUFO-CYBMUJFWSA-N 1 2 309.417 3.376 10 30 DGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162771510 432833779 /nfs/dbraw/zinc/83/37/79/432833779.db2.gz OPHWIIQYDRWEQI-BXKDBHETSA-N 1 2 324.178 3.139 10 30 DGEELO C=C(C)COc1cccc(NC(=O)NCc2[nH+]ccn2CC)c1 ZINC000296569443 432923349 /nfs/dbraw/zinc/92/33/49/432923349.db2.gz SSYBXNXQURYYHM-UHFFFAOYSA-N 1 2 314.389 3.180 10 30 DGEELO C=CCC[C@H](NC(=O)NCc1[nH+]ccn1CC)c1ccccc1 ZINC000296596309 432924474 /nfs/dbraw/zinc/92/44/74/432924474.db2.gz VXFKURXZUIIJDT-INIZCTEOSA-N 1 2 312.417 3.410 10 30 DGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000297009938 432948852 /nfs/dbraw/zinc/94/88/52/432948852.db2.gz GJVYPZQNCLAGSH-LSDHHAIUSA-N 1 2 308.372 3.038 10 30 DGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000297009938 432948856 /nfs/dbraw/zinc/94/88/56/432948856.db2.gz GJVYPZQNCLAGSH-LSDHHAIUSA-N 1 2 308.372 3.038 10 30 DGEELO 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CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000559610245 314887984 /nfs/dbraw/zinc/88/79/84/314887984.db2.gz XKQPYFVPTZCTMF-KRWDZBQOSA-N 1 2 322.412 3.071 10 30 DGEELO C=CCOc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000523391330 340623023 /nfs/dbraw/zinc/62/30/23/340623023.db2.gz LZANKVCPRILXOW-UHFFFAOYSA-N 1 2 322.206 3.027 10 30 DGEELO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000128378728 340879961 /nfs/dbraw/zinc/87/99/61/340879961.db2.gz ACILWNSBLRNXHH-KGLIPLIRSA-N 1 2 321.852 3.303 10 30 DGEELO C=CCN(CC=C)C(=O)COc1cc(C)[nH+]c2c(C)cccc12 ZINC000565336947 341524227 /nfs/dbraw/zinc/52/42/27/341524227.db2.gz ZNNNLCKRDCVRKW-UHFFFAOYSA-N 1 2 310.397 3.431 10 30 DGEELO CC#CCCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282304966 526293251 /nfs/dbraw/zinc/29/32/51/526293251.db2.gz MKIFVINBQSUISB-INIZCTEOSA-N 1 2 313.445 3.119 10 30 DGEELO C=CC[N@@H+](Cc1ncc(COC)s1)Cc1ccc(OC)cc1 ZINC000342680092 526382034 /nfs/dbraw/zinc/38/20/34/526382034.db2.gz NUYLLCZLUONTHV-UHFFFAOYSA-N 1 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C=CCCn1cc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)nn1 ZINC000593971250 400931355 /nfs/dbraw/zinc/93/13/55/400931355.db2.gz VYZYWHXKBNBYSN-MRXNPFEDSA-N 1 2 315.377 3.003 10 30 DGEELO C=CC[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633616112 401027753 /nfs/dbraw/zinc/02/77/53/401027753.db2.gz HAHRIFXEFNFSBJ-QGZVFWFLSA-N 1 2 309.413 3.230 10 30 DGEELO C=CCCn1cc(CSCCc2[nH+]cc(C)cc2C)nn1 ZINC000594565763 401114025 /nfs/dbraw/zinc/11/40/25/401114025.db2.gz NYODTSOVKRIZOI-UHFFFAOYSA-N 1 2 302.447 3.342 10 30 DGEELO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000625506390 401143186 /nfs/dbraw/zinc/14/31/86/401143186.db2.gz OUZHUBWWVKJUCF-QGZVFWFLSA-N 1 2 315.461 3.349 10 30 DGEELO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000634581375 401315884 /nfs/dbraw/zinc/31/58/84/401315884.db2.gz UQIKXTMYRNUKKK-CJNGLKHVSA-N 1 2 310.388 3.239 10 30 DGEELO C=CC(C)(C)CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000623407677 401509186 /nfs/dbraw/zinc/50/91/86/401509186.db2.gz QQWJFZXCVCFQQX-UHFFFAOYSA-N 1 2 316.449 3.083 10 30 DGEELO C=CCCC1(CNC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CCCC1 ZINC000628047452 401516992 /nfs/dbraw/zinc/51/69/92/401516992.db2.gz JRAGQVHREGPYQZ-MRXNPFEDSA-N 1 2 315.461 3.397 10 30 DGEELO C=CC(C)(C)CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000628313245 401574531 /nfs/dbraw/zinc/57/45/31/401574531.db2.gz IYPTUPDUXASBCR-NSHDSACASA-N 1 2 317.355 3.175 10 30 DGEELO C=CC[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000628492391 401607556 /nfs/dbraw/zinc/60/75/56/401607556.db2.gz TUUUBBNKWUOABE-WBVHZDCISA-N 1 2 309.413 3.356 10 30 DGEELO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000185485126 165005987 /nfs/dbraw/zinc/00/59/87/165005987.db2.gz SOXNGXONLVTMRK-ZDUSSCGKSA-N 1 2 321.359 3.129 10 30 DGEELO N#Cc1ccccc1OCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620293 432152961 /nfs/dbraw/zinc/15/29/61/432152961.db2.gz OXHDRRPNAOLHOR-UHFFFAOYSA-N 1 2 317.392 3.477 10 30 DGEELO N#Cc1ccccc1OCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620293 432152966 /nfs/dbraw/zinc/15/29/66/432152966.db2.gz OXHDRRPNAOLHOR-UHFFFAOYSA-N 1 2 317.392 3.477 10 30 DGEELO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1cccc(C#N)c1 ZINC000533568444 270005120 /nfs/dbraw/zinc/00/51/20/270005120.db2.gz VAYJNPWGGHFPJE-UHFFFAOYSA-N 1 2 309.369 3.312 10 30 DGEELO CCn1ncc2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc21 ZINC000123448517 431865973 /nfs/dbraw/zinc/86/59/73/431865973.db2.gz QJSXXZVYYXPDHF-UHFFFAOYSA-N 1 2 316.368 3.188 10 30 DGEELO CCC(CC)C[N@H+](CCC#N)Cc1cnc2nc(C)cc(C)n12 ZINC000093101013 431913499 /nfs/dbraw/zinc/91/34/99/431913499.db2.gz YXWOLVZMATXAJO-UHFFFAOYSA-N 1 2 313.449 3.498 10 30 DGEELO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2nc(C)cc(C)n12 ZINC000093101013 431913501 /nfs/dbraw/zinc/91/35/01/431913501.db2.gz YXWOLVZMATXAJO-UHFFFAOYSA-N 1 2 313.449 3.498 10 30 DGEELO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000192186094 432342903 /nfs/dbraw/zinc/34/29/03/432342903.db2.gz QHMVOVSUWNOOON-CYBMUJFWSA-N 1 2 321.359 3.129 10 30 DGEELO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966069 432550762 /nfs/dbraw/zinc/55/07/62/432550762.db2.gz CPAYYOIYWTZHTR-AFAVFJNCSA-N 1 2 322.399 3.429 10 30 DGEELO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966069 432550764 /nfs/dbraw/zinc/55/07/64/432550764.db2.gz CPAYYOIYWTZHTR-AFAVFJNCSA-N 1 2 322.399 3.429 10 30 DGEELO CCc1nc(C2([NH2+]Cc3cc(C#N)cs3)CCCC2)no1 ZINC000177693643 432650695 /nfs/dbraw/zinc/65/06/95/432650695.db2.gz OENHIHGKIHZPQB-UHFFFAOYSA-N 1 2 302.403 3.124 10 30 DGEELO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000187263277 432653580 /nfs/dbraw/zinc/65/35/80/432653580.db2.gz RYPXUCANYGRNLB-HXUWFJFHSA-N 1 2 320.440 3.081 10 30 DGEELO N#Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000225521170 432692828 /nfs/dbraw/zinc/69/28/28/432692828.db2.gz RZCKYPHUZDLKRM-CRAIPNDOSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000225521170 432692830 /nfs/dbraw/zinc/69/28/30/432692830.db2.gz RZCKYPHUZDLKRM-CRAIPNDOSA-N 1 2 314.335 3.144 10 30 DGEELO C(#Cc1ccccc1)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000361860881 433426698 /nfs/dbraw/zinc/42/66/98/433426698.db2.gz RHFPWVLOOJHDAU-UHFFFAOYSA-N 1 2 313.404 3.282 10 30 DGEELO CC#CCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282304973 433559802 /nfs/dbraw/zinc/55/98/02/433559802.db2.gz MKIFVINBQSUISB-MRXNPFEDSA-N 1 2 313.445 3.119 10 30 DGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000292849310 433601243 /nfs/dbraw/zinc/60/12/43/433601243.db2.gz QIIWOUWODYELCW-CVEARBPZSA-N 1 2 322.399 3.429 10 30 DGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000292849310 433601256 /nfs/dbraw/zinc/60/12/56/433601256.db2.gz QIIWOUWODYELCW-CVEARBPZSA-N 1 2 322.399 3.429 10 30 DGEELO Cc1cc(NCCCn2cnc3ccccc32)c(C#N)c(C)[nH+]1 ZINC000301755678 433707535 /nfs/dbraw/zinc/70/75/35/433707535.db2.gz DDWKMOMUOYGTBH-UHFFFAOYSA-N 1 2 305.385 3.422 10 30 DGEELO COCCOc1cccc(CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301781700 433720738 /nfs/dbraw/zinc/72/07/38/433720738.db2.gz NJBHBKYZRHPPLE-UHFFFAOYSA-N 1 2 311.385 3.207 10 30 DGEELO C=CCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283649714 433756933 /nfs/dbraw/zinc/75/69/33/433756933.db2.gz WUPITLQBZGVFGP-OAHLLOKOSA-N 1 2 316.449 3.075 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCCC[C@H]3C1)CCC2 ZINC000328657255 434298391 /nfs/dbraw/zinc/29/83/91/434298391.db2.gz OQZNPGQFCZEXGC-JYJNAYRXSA-N 1 2 316.449 3.105 10 30 DGEELO Cc1cn2cc(NC(=O)[C@H](C)c3c(C)nn(C)c3C)ccc2[nH+]1 ZINC000328746078 434304792 /nfs/dbraw/zinc/30/47/92/434304792.db2.gz AJDSBMNVGVKFAX-LLVKDONJSA-N 1 2 311.389 3.385 10 30 DGEELO C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000329729768 434466277 /nfs/dbraw/zinc/46/62/77/434466277.db2.gz PIAVEUCTQBDUPO-IOASZLSFSA-N 1 2 324.428 3.409 10 30 DGEELO C=CCn1cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000424291976 434679569 /nfs/dbraw/zinc/67/95/69/434679569.db2.gz FSNDYGJJTQRHQB-OAHLLOKOSA-N 1 2 318.808 3.121 10 30 DGEELO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)cc1 ZINC000361139588 434808897 /nfs/dbraw/zinc/80/88/97/434808897.db2.gz GYYFDFMCSIFFSM-PBHICJAKSA-N 1 2 303.402 3.025 10 30 DGEELO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)cc1 ZINC000361139588 434808904 /nfs/dbraw/zinc/80/89/04/434808904.db2.gz GYYFDFMCSIFFSM-PBHICJAKSA-N 1 2 303.402 3.025 10 30 DGEELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000559610246 435134573 /nfs/dbraw/zinc/13/45/73/435134573.db2.gz XKQPYFVPTZCTMF-QGZVFWFLSA-N 1 2 322.412 3.071 10 30 DGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249106472 341393942 /nfs/dbraw/zinc/39/39/42/341393942.db2.gz QNKIXZZPGXHTJX-XYJFISCASA-N 1 2 322.399 3.429 10 30 DGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249106472 341393943 /nfs/dbraw/zinc/39/39/43/341393943.db2.gz QNKIXZZPGXHTJX-XYJFISCASA-N 1 2 322.399 3.429 10 30 DGEELO C=CCCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454885891 534728064 /nfs/dbraw/zinc/72/80/64/534728064.db2.gz CCZBQBJCFFIPEN-UHFFFAOYSA-N 1 2 318.808 3.291 10 30 DGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(OC)c1 ZINC000342861637 526349902 /nfs/dbraw/zinc/34/99/02/526349902.db2.gz YOZPUGGKOLNQAL-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(OC)c1 ZINC000342861637 526349907 /nfs/dbraw/zinc/34/99/07/526349907.db2.gz YOZPUGGKOLNQAL-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)Cc1cccc(C#N)c1 ZINC000357272770 526380407 /nfs/dbraw/zinc/38/04/07/526380407.db2.gz VGAAKKQDBMEHEV-UHFFFAOYSA-N 1 2 320.352 3.389 10 30 DGEELO C=CC[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1cccc(C#N)c1 ZINC000357272770 526380412 /nfs/dbraw/zinc/38/04/12/526380412.db2.gz VGAAKKQDBMEHEV-UHFFFAOYSA-N 1 2 320.352 3.389 10 30 DGEELO C=CCOCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000339041981 526769245 /nfs/dbraw/zinc/76/92/45/526769245.db2.gz DGMQQQXMPPKQNV-UHFFFAOYSA-N 1 2 311.429 3.298 10 30 DGEELO C=CCCC[N@@H+](C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000132614657 527193072 /nfs/dbraw/zinc/19/30/72/527193072.db2.gz HYYUJXZYOIOGFC-UHFFFAOYSA-N 1 2 322.430 3.019 10 30 DGEELO C=CCCC[N@H+](C)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000132614657 527193075 /nfs/dbraw/zinc/19/30/75/527193075.db2.gz HYYUJXZYOIOGFC-UHFFFAOYSA-N 1 2 322.430 3.019 10 30 DGEELO CCO[C@H]1C[C@@]([NH2+]CCCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000444671059 528121010 /nfs/dbraw/zinc/12/10/10/528121010.db2.gz HYBDDFBPZXQPDG-KBXCAEBGSA-N 1 2 324.465 3.043 10 30 DGEELO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccccc1F ZINC000173553819 528750534 /nfs/dbraw/zinc/75/05/34/528750534.db2.gz NUNRVBFSMGCIAX-UHFFFAOYSA-N 1 2 305.397 3.416 10 30 DGEELO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccccc1F ZINC000173553819 528750536 /nfs/dbraw/zinc/75/05/36/528750536.db2.gz NUNRVBFSMGCIAX-UHFFFAOYSA-N 1 2 305.397 3.416 10 30 DGEELO C=CCNC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539964 546136513 /nfs/dbraw/zinc/13/65/13/546136513.db2.gz MEOBHTXVKHAPML-MRVPVSSYSA-N 1 2 305.180 3.085 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1(C)CCCC1)C2 ZINC000329308964 546485184 /nfs/dbraw/zinc/48/51/84/546485184.db2.gz ZBAJHMKCTLJXIM-CYBMUJFWSA-N 1 2 318.465 3.332 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1(C)CCCC1)C2 ZINC000329308964 546485186 /nfs/dbraw/zinc/48/51/86/546485186.db2.gz ZBAJHMKCTLJXIM-CYBMUJFWSA-N 1 2 318.465 3.332 10 30 DGEELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308668 574696256 /nfs/dbraw/zinc/69/62/56/574696256.db2.gz OALCBXQWZLPCAZ-WFASDCNBSA-N 1 2 308.809 3.242 10 30 DGEELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735308668 574696259 /nfs/dbraw/zinc/69/62/59/574696259.db2.gz OALCBXQWZLPCAZ-WFASDCNBSA-N 1 2 308.809 3.242 10 30 DGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715796913 661214435 /nfs/dbraw/zinc/21/44/35/661214435.db2.gz OXYIXFCDNNBMCE-QPUJVOFHSA-N 1 2 313.170 3.076 10 30 DGEELO C(#Cc1ccccc1)C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000192150299 662088924 /nfs/dbraw/zinc/08/89/24/662088924.db2.gz CNHQZLLFAZAMPH-OAQYLSRUSA-N 1 2 304.437 3.465 10 30 DGEELO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000093889192 193324139 /nfs/dbraw/zinc/32/41/39/193324139.db2.gz GLVPSEMQBMBZAE-XUSGNXJCSA-N 1 2 302.399 3.082 10 30 DGEELO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093889192 193324141 /nfs/dbraw/zinc/32/41/41/193324141.db2.gz GLVPSEMQBMBZAE-XUSGNXJCSA-N 1 2 302.399 3.082 10 30 DGEELO COc1cc(C[N@@H+]2CCC=C(Br)C2)ccc1C#N ZINC000282512383 217052929 /nfs/dbraw/zinc/05/29/29/217052929.db2.gz ZBXHATUXBKYZAK-UHFFFAOYSA-N 1 2 307.191 3.051 10 30 DGEELO COc1cc(C[N@H+]2CCC=C(Br)C2)ccc1C#N ZINC000282512383 217052932 /nfs/dbraw/zinc/05/29/32/217052932.db2.gz ZBXHATUXBKYZAK-UHFFFAOYSA-N 1 2 307.191 3.051 10 30 DGEELO O=C1/C(=N\c2ccccc2F)c2ccccc2N1C[NH+]1CCCC1 ZINC000016524166 182048483 /nfs/dbraw/zinc/04/84/83/182048483.db2.gz YZGLYWIWTNSCFP-UZYVYHOESA-N 1 2 323.371 3.346 10 30 DGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000157771169 197214350 /nfs/dbraw/zinc/21/43/50/197214350.db2.gz GBURRXZTQXZDKM-HNNXBMFYSA-N 1 2 302.374 3.332 10 30 DGEELO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000157771169 197214352 /nfs/dbraw/zinc/21/43/52/197214352.db2.gz GBURRXZTQXZDKM-HNNXBMFYSA-N 1 2 302.374 3.332 10 30 DGEELO CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)c1cc(F)cc(C#N)c1 ZINC000586779789 400154783 /nfs/dbraw/zinc/15/47/83/400154783.db2.gz UVRLRXSOVSASFM-UHFFFAOYSA-N 1 2 322.343 3.261 10 30 DGEELO C=CC[N@@H+](Cc1oc(C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000589252432 400281282 /nfs/dbraw/zinc/28/12/82/400281282.db2.gz KOYCZPPRXNMIHP-UHFFFAOYSA-N 1 2 301.346 3.388 10 30 DGEELO C=CC[N@H+](Cc1oc(C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000589252432 400281284 /nfs/dbraw/zinc/28/12/84/400281284.db2.gz KOYCZPPRXNMIHP-UHFFFAOYSA-N 1 2 301.346 3.388 10 30 DGEELO C=CC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000111259729 400362791 /nfs/dbraw/zinc/36/27/91/400362791.db2.gz OWJGUBGCHJSTFP-UHFFFAOYSA-N 1 2 309.369 3.067 10 30 DGEELO C=CCOc1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000073606224 400459769 /nfs/dbraw/zinc/45/97/69/400459769.db2.gz SDIIFOPVNHUBGA-UHFFFAOYSA-N 1 2 307.344 3.475 10 30 DGEELO C=CCOc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000073606224 400459772 /nfs/dbraw/zinc/45/97/72/400459772.db2.gz SDIIFOPVNHUBGA-UHFFFAOYSA-N 1 2 307.344 3.475 10 30 DGEELO C=C(C)C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(=O)OC ZINC000602738041 400558677 /nfs/dbraw/zinc/55/86/77/400558677.db2.gz GRYNPMIWKWRDOA-MRXNPFEDSA-N 1 2 300.402 3.085 10 30 DGEELO C=CCOc1ccccc1C[NH2+]Cc1n[nH]cc1Br ZINC000606470362 400918188 /nfs/dbraw/zinc/91/81/88/400918188.db2.gz KTJVCRBZQHJMLC-UHFFFAOYSA-N 1 2 322.206 3.027 10 30 DGEELO C=C1CC(C)(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000630756575 401323550 /nfs/dbraw/zinc/32/35/50/401323550.db2.gz CXHFBZGSJBUUFE-UHFFFAOYSA-N 1 2 313.445 3.290 10 30 DGEELO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627762685 401492331 /nfs/dbraw/zinc/49/23/31/401492331.db2.gz MPOMEQQNNXVDBU-MSOLQXFVSA-N 1 2 323.440 3.058 10 30 DGEELO C=C1CC(C)(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000631542938 401493946 /nfs/dbraw/zinc/49/39/46/401493946.db2.gz VKYAMBLTPDUCGF-UHFFFAOYSA-N 1 2 309.413 3.246 10 30 DGEELO C=CC(C)(C)CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000623630463 401559088 /nfs/dbraw/zinc/55/90/88/401559088.db2.gz IFOKKQHLDLACNC-UHFFFAOYSA-N 1 2 300.406 3.044 10 30 DGEELO N#Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246701394 432155318 /nfs/dbraw/zinc/15/53/18/432155318.db2.gz MXNSJQRYPURSHY-QAPCUYQASA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246701394 432155321 /nfs/dbraw/zinc/15/53/21/432155321.db2.gz MXNSJQRYPURSHY-QAPCUYQASA-N 1 2 314.335 3.144 10 30 DGEELO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134849519 227042471 /nfs/dbraw/zinc/04/24/71/227042471.db2.gz QYWKBLCBKVEJSV-WMLDXEAASA-N 1 2 313.376 3.306 10 30 DGEELO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134849519 227042473 /nfs/dbraw/zinc/04/24/73/227042473.db2.gz QYWKBLCBKVEJSV-WMLDXEAASA-N 1 2 313.376 3.306 10 30 DGEELO Cc1ccc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc1C#N ZINC000302666006 230341287 /nfs/dbraw/zinc/34/12/87/230341287.db2.gz QBKJRHVFKJOHSJ-HNNXBMFYSA-N 1 2 316.355 3.255 10 30 DGEELO C[C@@H]1COC[C@H](C)[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151504714 432252204 /nfs/dbraw/zinc/25/22/04/432252204.db2.gz ZMPDIXAJZBBPGL-BETUJISGSA-N 1 2 313.319 3.046 10 30 DGEELO C[C@@H]1COC[C@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151504714 432252208 /nfs/dbraw/zinc/25/22/08/432252208.db2.gz ZMPDIXAJZBBPGL-BETUJISGSA-N 1 2 313.319 3.046 10 30 DGEELO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(C#N)cs1 ZINC000121360787 431775661 /nfs/dbraw/zinc/77/56/61/431775661.db2.gz KJQSUNJFFAXVBM-UHFFFAOYSA-N 1 2 308.410 3.437 10 30 DGEELO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(C#N)cs1 ZINC000121360787 431775664 /nfs/dbraw/zinc/77/56/64/431775664.db2.gz KJQSUNJFFAXVBM-UHFFFAOYSA-N 1 2 308.410 3.437 10 30 DGEELO Cn1cc(Br)cc1C[N@H+](C)CC#Cc1ccccc1 ZINC000192070477 432329992 /nfs/dbraw/zinc/32/99/92/432329992.db2.gz VVOURPSFHOKWGR-UHFFFAOYSA-N 1 2 317.230 3.271 10 30 DGEELO Cn1cc(Br)cc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000192070477 432329994 /nfs/dbraw/zinc/32/99/94/432329994.db2.gz VVOURPSFHOKWGR-UHFFFAOYSA-N 1 2 317.230 3.271 10 30 DGEELO Cc1cccc(C)c1NC(=O)C[N@H+](C)CC#Cc1ccccc1 ZINC000191926849 432314054 /nfs/dbraw/zinc/31/40/54/432314054.db2.gz DMXSVDAOSBSIGE-UHFFFAOYSA-N 1 2 306.409 3.225 10 30 DGEELO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC#Cc1ccccc1 ZINC000191926849 432314060 /nfs/dbraw/zinc/31/40/60/432314060.db2.gz DMXSVDAOSBSIGE-UHFFFAOYSA-N 1 2 306.409 3.225 10 30 DGEELO CCc1csc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000249894558 432362173 /nfs/dbraw/zinc/36/21/73/432362173.db2.gz RISMIURRYIFLNQ-ZIAGYGMSSA-N 1 2 302.447 3.328 10 30 DGEELO CCc1csc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000249894558 432362177 /nfs/dbraw/zinc/36/21/77/432362177.db2.gz RISMIURRYIFLNQ-ZIAGYGMSSA-N 1 2 302.447 3.328 10 30 DGEELO CC#CCCCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188750685 432744239 /nfs/dbraw/zinc/74/42/39/432744239.db2.gz HDKISUILCVUYNL-UHFFFAOYSA-N 1 2 318.848 3.008 10 30 DGEELO CC#CCCCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188750685 432744243 /nfs/dbraw/zinc/74/42/43/432744243.db2.gz HDKISUILCVUYNL-UHFFFAOYSA-N 1 2 318.848 3.008 10 30 DGEELO CC[C@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)c1cccs1 ZINC000329953620 432884447 /nfs/dbraw/zinc/88/44/47/432884447.db2.gz NGWFFJLWPAHYKL-OLZOCXBDSA-N 1 2 318.446 3.162 10 30 DGEELO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000289136957 432925426 /nfs/dbraw/zinc/92/54/26/432925426.db2.gz TXUBPOZZEXSJKR-KRWDZBQOSA-N 1 2 307.397 3.455 10 30 DGEELO C=CC[C@@H]1N(C(=O)NCc2[nH+]ccn2CC)CCCC1(C)C ZINC000298167541 433050698 /nfs/dbraw/zinc/05/06/98/433050698.db2.gz QJSFFXGIXGVOJP-AWEZNQCLSA-N 1 2 304.438 3.179 10 30 DGEELO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425406813 433229099 /nfs/dbraw/zinc/22/90/99/433229099.db2.gz NHVIPHZJOJWJEM-INIZCTEOSA-N 1 2 304.409 3.213 10 30 DGEELO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425406813 433229109 /nfs/dbraw/zinc/22/91/09/433229109.db2.gz NHVIPHZJOJWJEM-INIZCTEOSA-N 1 2 304.409 3.213 10 30 DGEELO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(Br)c1 ZINC000302618496 433830121 /nfs/dbraw/zinc/83/01/21/433830121.db2.gz PHJIQJDWEQUSBZ-HZMBPMFUSA-N 1 2 309.207 3.240 10 30 DGEELO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000357156341 433886808 /nfs/dbraw/zinc/88/68/08/433886808.db2.gz ZFRDYNKULHXQPN-UONOGXRCSA-N 1 2 301.434 3.205 10 30 DGEELO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000357156341 433886818 /nfs/dbraw/zinc/88/68/18/433886818.db2.gz ZFRDYNKULHXQPN-UONOGXRCSA-N 1 2 301.434 3.205 10 30 DGEELO Cn1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)cc2)n1 ZINC000378396381 434166995 /nfs/dbraw/zinc/16/69/95/434166995.db2.gz NJKDQOPVKGKICP-LJQANCHMSA-N 1 2 320.371 3.310 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](CC(C)C)C1)CCC2 ZINC000328662972 434295839 /nfs/dbraw/zinc/29/58/39/434295839.db2.gz XRJMRKSVNGLFIR-HOTGVXAUSA-N 1 2 318.465 3.351 10 30 DGEELO CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328657568 434298037 /nfs/dbraw/zinc/29/80/37/434298037.db2.gz PHNDQZGNBJPTAZ-CVEARBPZSA-N 1 2 318.465 3.495 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)C1CCOCC1)CCC2 ZINC000328877288 434321358 /nfs/dbraw/zinc/32/13/58/434321358.db2.gz TYLMHDCFZAHGKC-ZFWWWQNUSA-N 1 2 305.422 3.088 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCCCCC1)C2 ZINC000329311823 434389891 /nfs/dbraw/zinc/38/98/91/434389891.db2.gz ZTSDDGLERCPLBV-CQSZACIVSA-N 1 2 318.465 3.285 10 30 DGEELO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366144923 434343935 /nfs/dbraw/zinc/34/39/35/434343935.db2.gz TWSXABBZULCOSK-HNNXBMFYSA-N 1 2 316.449 3.045 10 30 DGEELO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366144923 434343945 /nfs/dbraw/zinc/34/39/45/434343945.db2.gz TWSXABBZULCOSK-HNNXBMFYSA-N 1 2 316.449 3.045 10 30 DGEELO C[C@@H]1c2ccccc2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329352810 434399234 /nfs/dbraw/zinc/39/92/34/434399234.db2.gz XSEPXZCVZWZNGA-ZIAGYGMSSA-N 1 2 310.401 3.251 10 30 DGEELO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000366926470 434533799 /nfs/dbraw/zinc/53/37/99/434533799.db2.gz QVEIXIDYGMRLAL-XJKSGUPXSA-N 1 2 306.837 3.415 10 30 DGEELO C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372465362 434831180 /nfs/dbraw/zinc/83/11/80/434831180.db2.gz PYKYSDUMMDWUSB-UONOGXRCSA-N 1 2 303.450 3.499 10 30 DGEELO C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372465362 434831182 /nfs/dbraw/zinc/83/11/82/434831182.db2.gz PYKYSDUMMDWUSB-UONOGXRCSA-N 1 2 303.450 3.499 10 30 DGEELO C=CC[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000372491317 434835076 /nfs/dbraw/zinc/83/50/76/434835076.db2.gz OEQOOEXGQYUGPG-KRWDZBQOSA-N 1 2 309.413 3.476 10 30 DGEELO C=CC[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000372491317 434835080 /nfs/dbraw/zinc/83/50/80/434835080.db2.gz OEQOOEXGQYUGPG-KRWDZBQOSA-N 1 2 309.413 3.476 10 30 DGEELO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000565594455 435279819 /nfs/dbraw/zinc/27/98/19/435279819.db2.gz OVKTVEGREQUWLB-YJBOKZPZSA-N 1 2 324.380 3.195 10 30 DGEELO N#C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1c1c(F)cccc1OC2 ZINC000498050573 435302609 /nfs/dbraw/zinc/30/26/09/435302609.db2.gz NUOXHMCWCKVXCG-HNAYVOBHSA-N 1 2 308.356 3.327 10 30 DGEELO N#C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1c1c(F)cccc1OC2 ZINC000498050573 435302613 /nfs/dbraw/zinc/30/26/13/435302613.db2.gz NUOXHMCWCKVXCG-HNAYVOBHSA-N 1 2 308.356 3.327 10 30 DGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000514950803 435451200 /nfs/dbraw/zinc/45/12/00/435451200.db2.gz QGYVXARDBVJHPW-LPHOPBHVSA-N 1 2 316.420 3.146 10 30 DGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000514950803 435451203 /nfs/dbraw/zinc/45/12/03/435451203.db2.gz QGYVXARDBVJHPW-LPHOPBHVSA-N 1 2 316.420 3.146 10 30 DGEELO C=CCC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CCOCC1 ZINC000568502513 435441599 /nfs/dbraw/zinc/44/15/99/435441599.db2.gz UYVJRMBCJFJKMU-UHFFFAOYSA-N 1 2 311.385 3.388 10 30 DGEELO C=CCC1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCCC1 ZINC000571021286 435669834 /nfs/dbraw/zinc/66/98/34/435669834.db2.gz LCZALQCJWCNUTC-UHFFFAOYSA-N 1 2 310.401 3.276 10 30 DGEELO CN(C)c1[nH+]cccc1CNc1ccc2cc(C#N)ccc2n1 ZINC000179886268 323216102 /nfs/dbraw/zinc/21/61/02/323216102.db2.gz RYEIKMNIRVKJQE-UHFFFAOYSA-N 1 2 303.369 3.180 10 30 DGEELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000532707337 336267410 /nfs/dbraw/zinc/26/74/10/336267410.db2.gz XQRTXJVNZGNBHL-INIZCTEOSA-N 1 2 305.805 3.108 10 30 DGEELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000532707337 336267411 /nfs/dbraw/zinc/26/74/11/336267411.db2.gz 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/nfs/dbraw/zinc/12/25/19/528122519.db2.gz ZRHIYVDWKLUWRB-QGZVFWFLSA-N 1 2 310.482 3.060 10 30 DGEELO CCO[C@H]1C[C@]([NH2+]CCCCC(C)(C)C#N)(C(=O)OC)C1(C)C ZINC000444671063 528161449 /nfs/dbraw/zinc/16/14/49/528161449.db2.gz HYBDDFBPZXQPDG-KSSFIOAISA-N 1 2 324.465 3.043 10 30 DGEELO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000185480014 546187625 /nfs/dbraw/zinc/18/76/25/546187625.db2.gz GAXXVVJZTZPZMS-HNNXBMFYSA-N 1 2 302.418 3.060 10 30 DGEELO C#CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000733795589 574639545 /nfs/dbraw/zinc/63/95/45/574639545.db2.gz QAZVHPIFKQAJHI-ZDUSSCGKSA-N 1 2 311.166 3.061 10 30 DGEELO C#CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000733795589 574639548 /nfs/dbraw/zinc/63/95/48/574639548.db2.gz QAZVHPIFKQAJHI-ZDUSSCGKSA-N 1 2 311.166 3.061 10 30 DGEELO C=CCCCCC[N@@H+](C)Cn1nnn(-c2ccccc2)c1=S ZINC000739887575 574914741 /nfs/dbraw/zinc/91/47/41/574914741.db2.gz UUFDXNOYXIEYSJ-UHFFFAOYSA-N 1 2 317.462 3.434 10 30 DGEELO C=CCCCCC[N@H+](C)Cn1nnn(-c2ccccc2)c1=S ZINC000739887575 574914744 /nfs/dbraw/zinc/91/47/44/574914744.db2.gz UUFDXNOYXIEYSJ-UHFFFAOYSA-N 1 2 317.462 3.434 10 30 DGEELO Cc1cc(NCc2cnc3ccc(C#N)cn23)ccc1[NH+](C)C ZINC000120192024 621802077 /nfs/dbraw/zinc/80/20/77/621802077.db2.gz NYXHNDMAWMOGKO-UHFFFAOYSA-N 1 2 305.385 3.193 10 30 DGEELO CCOc1cccc(/C=[NH+]/CCCc2c(C)nn(C)c2C)c1O ZINC000091515530 662305310 /nfs/dbraw/zinc/30/53/10/662305310.db2.gz MVCNVNYWWLRDGG-XDHOZWIPSA-N 1 2 315.417 3.193 10 30 DGEELO C#CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(F)cc1 ZINC000092541591 662332601 /nfs/dbraw/zinc/33/26/01/662332601.db2.gz OOTJJZAYEZWFHF-UHFFFAOYSA-N 1 2 322.387 3.121 10 30 DGEELO C#CC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(F)cc1 ZINC000092541591 662332604 /nfs/dbraw/zinc/33/26/04/662332604.db2.gz OOTJJZAYEZWFHF-UHFFFAOYSA-N 1 2 322.387 3.121 10 30 DGEELO Cn1cc(C#N)cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000081587339 192297236 /nfs/dbraw/zinc/29/72/36/192297236.db2.gz MFNZNNHTCXHPDG-UHFFFAOYSA-N 1 2 321.384 3.323 10 30 DGEELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1ccc(C#N)o1)CCCC2 ZINC000275527303 212393747 /nfs/dbraw/zinc/39/37/47/212393747.db2.gz LOYCLLQVJAXRTF-QGZVFWFLSA-N 1 2 310.401 3.101 10 30 DGEELO C=CCCO[C@@H](C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452357875 241394971 /nfs/dbraw/zinc/39/49/71/241394971.db2.gz SDHKXCQHDJFFGS-ZDUSSCGKSA-N 1 2 313.401 3.221 10 30 DGEELO COc1cccc([C@@H]2C[N@H+](Cc3cc(C#N)cs3)CCO2)c1 ZINC000093080376 193200335 /nfs/dbraw/zinc/20/03/35/193200335.db2.gz VHPADYRNIHLTSV-KRWDZBQOSA-N 1 2 314.410 3.202 10 30 DGEELO COc1cccc([C@@H]2C[N@@H+](Cc3cc(C#N)cs3)CCO2)c1 ZINC000093080376 193200336 /nfs/dbraw/zinc/20/03/36/193200336.db2.gz VHPADYRNIHLTSV-KRWDZBQOSA-N 1 2 314.410 3.202 10 30 DGEELO CC[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000191885068 335016222 /nfs/dbraw/zinc/01/62/22/335016222.db2.gz YBCOHOSRYCQUEF-UHFFFAOYSA-N 1 2 322.408 3.007 10 30 DGEELO CC[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000191885068 335016224 /nfs/dbraw/zinc/01/62/24/335016224.db2.gz YBCOHOSRYCQUEF-UHFFFAOYSA-N 1 2 322.408 3.007 10 30 DGEELO C#CCn1c(CCCCCNC(=O)C(C)C)[nH+]c2ccccc21 ZINC000040211723 183045425 /nfs/dbraw/zinc/04/54/25/183045425.db2.gz SYHLLZOAHYFOJD-UHFFFAOYSA-N 1 2 311.429 3.155 10 30 DGEELO C#CCn1c(CCCCCNC(=O)C(=C)C)[nH+]c2ccccc21 ZINC000040219731 183047312 /nfs/dbraw/zinc/04/73/12/183047312.db2.gz XEMQKPHPYBFMON-UHFFFAOYSA-N 1 2 309.413 3.075 10 30 DGEELO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157434210 197186929 /nfs/dbraw/zinc/18/69/29/197186929.db2.gz ZQOHVGPMLRETFK-MRXNPFEDSA-N 1 2 314.410 3.072 10 30 DGEELO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157434210 197186931 /nfs/dbraw/zinc/18/69/31/197186931.db2.gz ZQOHVGPMLRETFK-MRXNPFEDSA-N 1 2 314.410 3.072 10 30 DGEELO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343733724 254182588 /nfs/dbraw/zinc/18/25/88/254182588.db2.gz DILITJNQHSJAAN-MSOLQXFVSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343733724 254182589 /nfs/dbraw/zinc/18/25/89/254182589.db2.gz DILITJNQHSJAAN-MSOLQXFVSA-N 1 2 314.335 3.144 10 30 DGEELO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000586774010 400153039 /nfs/dbraw/zinc/15/30/39/400153039.db2.gz LJNXFTAAQWIUNF-JKSUJKDBSA-N 1 2 309.356 3.276 10 30 DGEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)s1 ZINC000595693816 400230487 /nfs/dbraw/zinc/23/04/87/400230487.db2.gz JOJBFYLNETXLIE-DTWKUNHWSA-N 1 2 300.225 3.078 10 30 DGEELO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(C#N)c1 ZINC000610326345 400242345 /nfs/dbraw/zinc/24/23/45/400242345.db2.gz WEBSWRTUBCIWIZ-GFCCVEGCSA-N 1 2 305.341 3.089 10 30 DGEELO C=CCc1cc(C[NH2+][C@@H](C)c2cscn2)cc(OC)c1O ZINC000580903474 400348341 /nfs/dbraw/zinc/34/83/41/400348341.db2.gz UXDPVMOKHSHRLI-NSHDSACASA-N 1 2 304.415 3.437 10 30 DGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCC12CCOCC2 ZINC000590728766 400424417 /nfs/dbraw/zinc/42/44/17/400424417.db2.gz STSSSNDGAVLQFA-UHFFFAOYSA-N 1 2 321.218 3.076 10 30 DGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCC12CCOCC2 ZINC000590728766 400424423 /nfs/dbraw/zinc/42/44/23/400424423.db2.gz STSSSNDGAVLQFA-UHFFFAOYSA-N 1 2 321.218 3.076 10 30 DGEELO C=CCCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000076944759 400681561 /nfs/dbraw/zinc/68/15/61/400681561.db2.gz OJHFZXJJCGTMKP-INIZCTEOSA-N 1 2 312.417 3.117 10 30 DGEELO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000618757749 400683077 /nfs/dbraw/zinc/68/30/77/400683077.db2.gz CBDAGXCTSLZKDC-INIZCTEOSA-N 1 2 317.352 3.015 10 30 DGEELO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000618757752 400683197 /nfs/dbraw/zinc/68/31/97/400683197.db2.gz CBDAGXCTSLZKDC-MRXNPFEDSA-N 1 2 317.352 3.015 10 30 DGEELO Cc1cc(NCc2ccc(C#N)cc2F)nc(-c2ccncc2)[nH+]1 ZINC000171832102 400807982 /nfs/dbraw/zinc/80/79/82/400807982.db2.gz INYJWWLJEIHUEQ-UHFFFAOYSA-N 1 2 319.343 3.470 10 30 DGEELO C=CCC[C@@H](C)[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616160 401137113 /nfs/dbraw/zinc/13/71/13/401137113.db2.gz SVYIXXRDRPMBHU-GDBMZVCRSA-N 1 2 304.434 3.279 10 30 DGEELO C=CCC[C@H](C)[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594616163 401137712 /nfs/dbraw/zinc/13/77/12/401137712.db2.gz SVYIXXRDRPMBHU-HOCLYGCPSA-N 1 2 304.434 3.279 10 30 DGEELO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000634581377 401315776 /nfs/dbraw/zinc/31/57/76/401315776.db2.gz UQIKXTMYRNUKKK-XJKSGUPXSA-N 1 2 310.388 3.239 10 30 DGEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000628037603 401514953 /nfs/dbraw/zinc/51/49/53/401514953.db2.gz FLTFTXJKDVOPTG-OWCLPIDISA-N 1 2 301.434 3.005 10 30 DGEELO C=CC(C)(C)CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000628313244 401574384 /nfs/dbraw/zinc/57/43/84/401574384.db2.gz IYPTUPDUXASBCR-LLVKDONJSA-N 1 2 317.355 3.175 10 30 DGEELO C=CCCn1cc(C[NH2+]Cc2csc(C(F)(F)F)c2)nn1 ZINC000623777652 401578662 /nfs/dbraw/zinc/57/86/62/401578662.db2.gz MKSPUXIBDCPIIH-UHFFFAOYSA-N 1 2 316.352 3.224 10 30 DGEELO C=CC(C)(C)CCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000624462943 401662555 /nfs/dbraw/zinc/66/25/55/401662555.db2.gz KSNTXITUHFTDIP-ZDUSSCGKSA-N 1 2 304.438 3.115 10 30 DGEELO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511236 165371831 /nfs/dbraw/zinc/37/18/31/165371831.db2.gz BXMYVTZMUMGKIB-QGZVFWFLSA-N 1 2 321.428 3.213 10 30 DGEELO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511236 165371835 /nfs/dbraw/zinc/37/18/35/165371835.db2.gz BXMYVTZMUMGKIB-QGZVFWFLSA-N 1 2 321.428 3.213 10 30 DGEELO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246780841 432165127 /nfs/dbraw/zinc/16/51/27/432165127.db2.gz OOIQGQBHXRURBF-CRAIPNDOSA-N 1 2 317.433 3.170 10 30 DGEELO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246780841 432165132 /nfs/dbraw/zinc/16/51/32/432165132.db2.gz OOIQGQBHXRURBF-CRAIPNDOSA-N 1 2 317.433 3.170 10 30 DGEELO N#Cc1cccc(CC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000530670606 268277532 /nfs/dbraw/zinc/27/75/32/268277532.db2.gz OZYUXOLZKCEBFF-UHFFFAOYSA-N 1 2 302.337 3.130 10 30 DGEELO C=CC[NH+](CC=C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000411166020 277849691 /nfs/dbraw/zinc/84/96/91/277849691.db2.gz RPTMRZQFCSDNRP-CQSZACIVSA-N 1 2 302.443 3.188 10 30 DGEELO O=C(c1ccccc1)N1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000016703053 431612126 /nfs/dbraw/zinc/61/21/26/431612126.db2.gz ZDNHZEFQGYHLBM-XSFVSMFZSA-N 1 2 308.381 3.116 10 30 DGEELO C[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000084116222 431816030 /nfs/dbraw/zinc/81/60/30/431816030.db2.gz LTHUFTUKMBOIOP-GFCCVEGCSA-N 1 2 322.393 3.296 10 30 DGEELO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000127510198 431974295 /nfs/dbraw/zinc/97/42/95/431974295.db2.gz RGSNNBXGXHNRBD-UHFFFAOYSA-N 1 2 315.804 3.122 10 30 DGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966196 432550920 /nfs/dbraw/zinc/55/09/20/432550920.db2.gz JDBDKZMJCWBKMS-FUHWJXTLSA-N 1 2 320.383 3.020 10 30 DGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185966196 432550925 /nfs/dbraw/zinc/55/09/25/432550925.db2.gz JDBDKZMJCWBKMS-FUHWJXTLSA-N 1 2 320.383 3.020 10 30 DGEELO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cnn1C1CCCC1 ZINC000195455572 432623620 /nfs/dbraw/zinc/62/36/20/432623620.db2.gz LBRJTMGEDJNPAH-UHFFFAOYSA-N 1 2 320.400 3.438 10 30 DGEELO Cc1csc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187670045 432676124 /nfs/dbraw/zinc/67/61/24/432676124.db2.gz XHNWLXUSNCJSOC-XJKSGUPXSA-N 1 2 313.426 3.458 10 30 DGEELO Cc1csc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000187670045 432676127 /nfs/dbraw/zinc/67/61/27/432676127.db2.gz XHNWLXUSNCJSOC-XJKSGUPXSA-N 1 2 313.426 3.458 10 30 DGEELO C=CCCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000279226866 432947311 /nfs/dbraw/zinc/94/73/11/432947311.db2.gz YABKGCOKZAURPW-UHFFFAOYSA-N 1 2 308.451 3.217 10 30 DGEELO C=CC[C@H]1N(C(=O)NCc2[nH+]ccn2CC)CCCC1(C)C ZINC000298167547 433051895 /nfs/dbraw/zinc/05/18/95/433051895.db2.gz QJSFFXGIXGVOJP-CQSZACIVSA-N 1 2 304.438 3.179 10 30 DGEELO CN(C)c1cc(CNc2c(C#N)cnc3ccccc32)cc[nH+]1 ZINC000301349859 433517263 /nfs/dbraw/zinc/51/72/63/433517263.db2.gz MGKJZJOPGZQMOP-UHFFFAOYSA-N 1 2 303.369 3.180 10 30 DGEELO C=CCC1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCC1 ZINC000456488924 433689385 /nfs/dbraw/zinc/68/93/85/433689385.db2.gz SPMVAUCILFQGAJ-UHFFFAOYSA-N 1 2 310.401 3.134 10 30 DGEELO Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)c(C#N)c(C)n1 ZINC000301784752 433724283 /nfs/dbraw/zinc/72/42/83/433724283.db2.gz OLOOHQGFPVEBBH-UHFFFAOYSA-N 1 2 317.396 3.427 10 30 DGEELO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339783994 433783340 /nfs/dbraw/zinc/78/33/40/433783340.db2.gz SUFGGZMIEORIQR-ZWKOTPCHSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339783994 433783349 /nfs/dbraw/zinc/78/33/49/433783349.db2.gz SUFGGZMIEORIQR-ZWKOTPCHSA-N 1 2 314.335 3.144 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCCC1(C)C)C2 ZINC000329256146 434381453 /nfs/dbraw/zinc/38/14/53/434381453.db2.gz DNQOKJYXMGTJGZ-CYBMUJFWSA-N 1 2 318.465 3.284 10 30 DGEELO C[C@@H]1c2ccccc2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329352809 434396650 /nfs/dbraw/zinc/39/66/50/434396650.db2.gz XSEPXZCVZWZNGA-KGLIPLIRSA-N 1 2 310.401 3.251 10 30 DGEELO C=C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440852535 434749781 /nfs/dbraw/zinc/74/97/81/434749781.db2.gz IEQDQCCPOSPKRQ-WBVHZDCISA-N 1 2 312.417 3.115 10 30 DGEELO C=C(C)CN(CC)C(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000574723397 435000087 /nfs/dbraw/zinc/00/00/87/435000087.db2.gz FKMVCXZUIPTUDP-QGZVFWFLSA-N 1 2 302.418 3.231 10 30 DGEELO C=C(C)CN(CC)C(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000574723397 435000092 /nfs/dbraw/zinc/00/00/92/435000092.db2.gz FKMVCXZUIPTUDP-QGZVFWFLSA-N 1 2 302.418 3.231 10 30 DGEELO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484544338 435547581 /nfs/dbraw/zinc/54/75/81/435547581.db2.gz LBKXZGCXUFBHLO-UZLBHIALSA-N 1 2 322.408 3.399 10 30 DGEELO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484544338 435547587 /nfs/dbraw/zinc/54/75/87/435547587.db2.gz LBKXZGCXUFBHLO-UZLBHIALSA-N 1 2 322.408 3.399 10 30 DGEELO C=CCCCCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000570694373 435641670 /nfs/dbraw/zinc/64/16/70/435641670.db2.gz LPWLWCIXSCNHEK-UHFFFAOYSA-N 1 2 316.449 3.227 10 30 DGEELO Cc1oc(NC(=O)C[NH+]2CCC(C(C)(C)C)CC2)c(C#N)c1C ZINC000172031594 312739299 /nfs/dbraw/zinc/73/92/99/312739299.db2.gz WFEMWSLVXSSEOX-UHFFFAOYSA-N 1 2 317.433 3.465 10 30 DGEELO Cn1c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nnc1C1CCC1 ZINC000181152990 323247255 /nfs/dbraw/zinc/24/72/55/323247255.db2.gz RQLGTJQVBFTZEQ-UHFFFAOYSA-N 1 2 321.428 3.119 10 30 DGEELO Cn1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nnc1C1CCC1 ZINC000181152990 323247256 /nfs/dbraw/zinc/24/72/56/323247256.db2.gz RQLGTJQVBFTZEQ-UHFFFAOYSA-N 1 2 321.428 3.119 10 30 DGEELO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1(C#N)CC1 ZINC000547841081 341236894 /nfs/dbraw/zinc/23/68/94/341236894.db2.gz ITHIISSSRHRDIW-KKUMJFAQSA-N 1 2 304.434 3.265 10 30 DGEELO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1(C#N)CC1 ZINC000547841081 341236895 /nfs/dbraw/zinc/23/68/95/341236895.db2.gz ITHIISSSRHRDIW-KKUMJFAQSA-N 1 2 304.434 3.265 10 30 DGEELO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249106468 341393981 /nfs/dbraw/zinc/39/39/81/341393981.db2.gz QNKIXZZPGXHTJX-SOLBZPMBSA-N 1 2 322.399 3.429 10 30 DGEELO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249106468 341393982 /nfs/dbraw/zinc/39/39/82/341393982.db2.gz QNKIXZZPGXHTJX-SOLBZPMBSA-N 1 2 322.399 3.429 10 30 DGEELO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000156983074 523526715 /nfs/dbraw/zinc/52/67/15/523526715.db2.gz YBZNACQPMJNUKQ-MRXNPFEDSA-N 1 2 314.410 3.202 10 30 DGEELO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000156983074 523526728 /nfs/dbraw/zinc/52/67/28/523526728.db2.gz YBZNACQPMJNUKQ-MRXNPFEDSA-N 1 2 314.410 3.202 10 30 DGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)cn1 ZINC000338235509 526350354 /nfs/dbraw/zinc/35/03/54/526350354.db2.gz SANYSZGVADEECY-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)cn1 ZINC000338235509 526350357 /nfs/dbraw/zinc/35/03/57/526350357.db2.gz SANYSZGVADEECY-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CCN(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357123120 526356876 /nfs/dbraw/zinc/35/68/76/526356876.db2.gz XGIBHGMQFHJJMV-UHFFFAOYSA-N 1 2 318.380 3.096 10 30 DGEELO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)ccc1F ZINC000353475583 526559670 /nfs/dbraw/zinc/55/96/70/526559670.db2.gz XCDWPJUKXCOOIK-UHFFFAOYSA-N 1 2 319.376 3.498 10 30 DGEELO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)ccc1F ZINC000353475583 526559672 /nfs/dbraw/zinc/55/96/72/526559672.db2.gz XCDWPJUKXCOOIK-UHFFFAOYSA-N 1 2 319.376 3.498 10 30 DGEELO C=C(C)COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OC ZINC000378348291 526661633 /nfs/dbraw/zinc/66/16/33/526661633.db2.gz XZKKUKNYYUZBJU-IYBDPMFKSA-N 1 2 303.402 3.013 10 30 DGEELO C=C(C)COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1OC ZINC000378348291 526661643 /nfs/dbraw/zinc/66/16/43/526661643.db2.gz XZKKUKNYYUZBJU-IYBDPMFKSA-N 1 2 303.402 3.013 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000341491651 526691769 /nfs/dbraw/zinc/69/17/69/526691769.db2.gz UJGWYXANYPYLMY-MRXNPFEDSA-N 1 2 311.429 3.492 10 30 DGEELO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000185576524 526711196 /nfs/dbraw/zinc/71/11/96/526711196.db2.gz VDNNTHRRISCXJW-WFASDCNBSA-N 1 2 310.388 3.286 10 30 DGEELO C=CCOc1ccc(C[N@@H+]([C@H](C)C(=O)OCC)C2CC2)cc1 ZINC000347426558 526864319 /nfs/dbraw/zinc/86/43/19/526864319.db2.gz YQAVATOOHUYNJJ-CQSZACIVSA-N 1 2 303.402 3.167 10 30 DGEELO C=CCOc1ccc(C[N@H+]([C@H](C)C(=O)OCC)C2CC2)cc1 ZINC000347426558 526864322 /nfs/dbraw/zinc/86/43/22/526864322.db2.gz YQAVATOOHUYNJJ-CQSZACIVSA-N 1 2 303.402 3.167 10 30 DGEELO C=C(CNc1cc(C)[nH+]c(-c2ccncc2)n1)c1ccccc1 ZINC000340972168 526865336 /nfs/dbraw/zinc/86/53/36/526865336.db2.gz PKLXUICPAUZWJE-UHFFFAOYSA-N 1 2 302.381 3.394 10 30 DGEELO C=C1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000341998872 526903635 /nfs/dbraw/zinc/90/36/35/526903635.db2.gz IZFWJKBPHNJXSX-UHFFFAOYSA-N 1 2 313.426 3.401 10 30 DGEELO C=C1CC[NH+](Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000360028144 526906568 /nfs/dbraw/zinc/90/65/68/526906568.db2.gz REMNHIPHQCEWOV-UHFFFAOYSA-N 1 2 312.369 3.280 10 30 DGEELO C=CC[C@@H](CO)CNc1cc(N(CC)c2ccccc2)nc[nH+]1 ZINC000432134641 527084370 /nfs/dbraw/zinc/08/43/70/527084370.db2.gz VACRMNKQYJQNGR-OAHLLOKOSA-N 1 2 312.417 3.231 10 30 DGEELO CC(=O)c1ccc(C#N)c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000302026559 527224994 /nfs/dbraw/zinc/22/49/94/527224994.db2.gz LGXPWYXWXKLOLF-UHFFFAOYSA-N 1 2 320.396 3.237 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc3nccnc3c1)CCC2 ZINC000328821872 546481703 /nfs/dbraw/zinc/48/17/03/546481703.db2.gz OZILFKLZSFFEMA-AWEZNQCLSA-N 1 2 321.384 3.017 10 30 DGEELO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000730277432 574523579 /nfs/dbraw/zinc/52/35/79/574523579.db2.gz SXOCWAAICABTCD-HNNXBMFYSA-N 1 2 320.820 3.163 10 30 DGEELO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000730277432 574523581 /nfs/dbraw/zinc/52/35/81/574523581.db2.gz SXOCWAAICABTCD-HNNXBMFYSA-N 1 2 320.820 3.163 10 30 DGEELO Cc1cc(N)nc(SCc2cc(Cl)ccc2OCC#N)[nH+]1 ZINC000735230749 574692132 /nfs/dbraw/zinc/69/21/32/574692132.db2.gz PVUQJJMEYKNAQG-UHFFFAOYSA-N 1 2 320.805 3.215 10 30 DGEELO C#CCOc1ccccc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000129046937 625426055 /nfs/dbraw/zinc/42/60/55/625426055.db2.gz BBBLINNBFMOLFV-UHFFFAOYSA-N 1 2 309.413 3.300 10 30 DGEELO N#Cc1c(N)sc2c1CCN(c1cc(C(F)(F)F)cc[nH+]1)C2 ZINC000301599874 283078484 /nfs/dbraw/zinc/07/84/84/283078484.db2.gz URBQVYQWTCHAOO-UHFFFAOYSA-N 1 2 324.331 3.178 10 30 DGEELO N#Cc1csc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000179502427 432060299 /nfs/dbraw/zinc/06/02/99/432060299.db2.gz ZZWSQNVIDBXIIT-UHFFFAOYSA-N 1 2 324.409 3.083 10 30 DGEELO CC[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](C)/C(N)=N/O ZINC000042445149 183271050 /nfs/dbraw/zinc/27/10/50/183271050.db2.gz WIPMFNKQUGKURT-SECBINFHSA-N 1 2 304.221 3.198 10 30 DGEELO CC[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](C)/C(N)=N/O ZINC000042445149 183271052 /nfs/dbraw/zinc/27/10/52/183271052.db2.gz WIPMFNKQUGKURT-SECBINFHSA-N 1 2 304.221 3.198 10 30 DGEELO N#Cc1ncccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000061657817 184181119 /nfs/dbraw/zinc/18/11/19/184181119.db2.gz HUUZGSCLRCRGFJ-UHFFFAOYSA-N 1 2 320.165 3.145 10 30 DGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CCCO ZINC000336811439 253003064 /nfs/dbraw/zinc/00/30/64/253003064.db2.gz MZKUXPGXLZZXQD-HNNXBMFYSA-N 1 2 323.234 3.058 10 30 DGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000336811439 253003065 /nfs/dbraw/zinc/00/30/65/253003065.db2.gz MZKUXPGXLZZXQD-HNNXBMFYSA-N 1 2 323.234 3.058 10 30 DGEELO N#Cc1c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cn2ccccc12 ZINC000157621261 197202254 /nfs/dbraw/zinc/20/22/54/197202254.db2.gz OMMCRRVMIGCCTC-QGZVFWFLSA-N 1 2 323.421 3.446 10 30 DGEELO N#Cc1c(C[N@H+]2CCO[C@@H](c3cccs3)C2)cn2ccccc12 ZINC000157621261 197202256 /nfs/dbraw/zinc/20/22/56/197202256.db2.gz OMMCRRVMIGCCTC-QGZVFWFLSA-N 1 2 323.421 3.446 10 30 DGEELO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)ccc1F ZINC000343696561 254178502 /nfs/dbraw/zinc/17/85/02/254178502.db2.gz YGHDCSBGDVFMOJ-AEFFLSMTSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)ccc1F ZINC000343696561 254178505 /nfs/dbraw/zinc/17/85/05/254178505.db2.gz YGHDCSBGDVFMOJ-AEFFLSMTSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1F ZINC000343696567 254178906 /nfs/dbraw/zinc/17/89/06/254178906.db2.gz YGHDCSBGDVFMOJ-WMZOPIPTSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1F ZINC000343696567 254178908 /nfs/dbraw/zinc/17/89/08/254178908.db2.gz YGHDCSBGDVFMOJ-WMZOPIPTSA-N 1 2 314.335 3.144 10 30 DGEELO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000121592901 195312002 /nfs/dbraw/zinc/31/20/02/195312002.db2.gz UCEOBAKAZDCBEK-SFHVURJKSA-N 1 2 312.369 3.042 10 30 DGEELO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000121592901 195312003 /nfs/dbraw/zinc/31/20/03/195312003.db2.gz UCEOBAKAZDCBEK-SFHVURJKSA-N 1 2 312.369 3.042 10 30 DGEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000617040073 400290195 /nfs/dbraw/zinc/29/01/95/400290195.db2.gz PFYWLEZIWLUOGN-WBVHZDCISA-N 1 2 311.429 3.436 10 30 DGEELO C=CCCC1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000617417920 400385554 /nfs/dbraw/zinc/38/55/54/400385554.db2.gz LWZZXQUCYGKNBS-HNNXBMFYSA-N 1 2 301.434 3.088 10 30 DGEELO C[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000611389247 400391374 /nfs/dbraw/zinc/39/13/74/400391374.db2.gz YYXDXJZVAYIJDH-ZDUSSCGKSA-N 1 2 304.353 3.459 10 30 DGEELO C=CCCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000076944756 400681615 /nfs/dbraw/zinc/68/16/15/400681615.db2.gz OJHFZXJJCGTMKP-MRXNPFEDSA-N 1 2 312.417 3.117 10 30 DGEELO C=CCCn1cc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)nn1 ZINC000593971248 400930954 /nfs/dbraw/zinc/93/09/54/400930954.db2.gz VYZYWHXKBNBYSN-INIZCTEOSA-N 1 2 315.377 3.003 10 30 DGEELO C=CCC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(=O)OCC ZINC000594610806 401134136 /nfs/dbraw/zinc/13/41/36/401134136.db2.gz UZKRFNGTQHMQKF-KRWDZBQOSA-N 1 2 314.429 3.475 10 30 DGEELO C=CC[C@@H]1N(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CCCC1(C)C ZINC000626675311 401394647 /nfs/dbraw/zinc/39/46/47/401394647.db2.gz BVNYBMVYLBKJDI-HOTGVXAUSA-N 1 2 315.461 3.347 10 30 DGEELO C=C1CC(C)(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000631135405 401404783 /nfs/dbraw/zinc/40/47/83/401404783.db2.gz ALPSMSJGANAQIR-UHFFFAOYSA-N 1 2 313.445 3.435 10 30 DGEELO C=CCC1(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CCCCC1 ZINC000627659149 401481755 /nfs/dbraw/zinc/48/17/55/401481755.db2.gz AXSFIZYGGDNGCH-OAHLLOKOSA-N 1 2 301.434 3.149 10 30 DGEELO C=CCOc1ccccc1C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623249140 401481887 /nfs/dbraw/zinc/48/18/87/401481887.db2.gz PLADLDYQOSPBTJ-UHFFFAOYSA-N 1 2 322.408 3.230 10 30 DGEELO C=CCOc1ccccc1C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623249140 401481891 /nfs/dbraw/zinc/48/18/91/401481891.db2.gz PLADLDYQOSPBTJ-UHFFFAOYSA-N 1 2 322.408 3.230 10 30 DGEELO C=CCCC(C)(C)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000633051720 401647417 /nfs/dbraw/zinc/64/74/17/401647417.db2.gz BGAQRBRUXQSHJT-UHFFFAOYSA-N 1 2 306.454 3.331 10 30 DGEELO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCOCC12CCC2 ZINC000187319132 165085794 /nfs/dbraw/zinc/08/57/94/165085794.db2.gz RRKOTZTWLCZTRQ-UHFFFAOYSA-N 1 2 321.424 3.163 10 30 DGEELO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCOCC12CCC2 ZINC000187319132 165085795 /nfs/dbraw/zinc/08/57/95/165085795.db2.gz RRKOTZTWLCZTRQ-UHFFFAOYSA-N 1 2 321.424 3.163 10 30 DGEELO N#CC1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000112635830 431291700 /nfs/dbraw/zinc/29/17/00/431291700.db2.gz BUUGQTAXEIAVIW-UHFFFAOYSA-N 1 2 307.353 3.440 10 30 DGEELO N#Cc1ccc(C(F)(F)F)nc1NCCCNc1cccc[nH+]1 ZINC000115515977 431457102 /nfs/dbraw/zinc/45/71/02/431457102.db2.gz LZTYXPLCGQAJAT-UHFFFAOYSA-N 1 2 321.306 3.281 10 30 DGEELO C=CCCCN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000076950320 431565001 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Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C)(C#N)CC2)c1C#N ZINC000611553488 400419771 /nfs/dbraw/zinc/41/97/71/400419771.db2.gz VSUFGPVBUZLSLK-UHFFFAOYSA-N 1 2 319.412 3.178 10 30 DGEELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000591653656 400548845 /nfs/dbraw/zinc/54/88/45/400548845.db2.gz VGXZPUZEEJSDEU-WBVHZDCISA-N 1 2 324.428 3.173 10 30 DGEELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000591653656 400548847 /nfs/dbraw/zinc/54/88/47/400548847.db2.gz VGXZPUZEEJSDEU-WBVHZDCISA-N 1 2 324.428 3.173 10 30 DGEELO C=CCC[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000612708096 400590063 /nfs/dbraw/zinc/59/00/63/400590063.db2.gz HMQMYCLVUVWXOP-HOTGVXAUSA-N 1 2 309.413 3.338 10 30 DGEELO C=CCC[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000612708096 400590065 /nfs/dbraw/zinc/59/00/65/400590065.db2.gz HMQMYCLVUVWXOP-HOTGVXAUSA-N 1 2 309.413 3.338 10 30 DGEELO C=CCOc1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583998 400931924 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C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000632209386 401590289 /nfs/dbraw/zinc/59/02/89/401590289.db2.gz WHQVYGJFMBOGFH-JKSUJKDBSA-N 1 2 320.383 3.183 10 30 DGEELO C=CC(C)(C)CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000624470123 401663524 /nfs/dbraw/zinc/66/35/24/401663524.db2.gz OXYRLIVIMJHTCA-UHFFFAOYSA-N 1 2 321.490 3.178 10 30 DGEELO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000129266109 196033476 /nfs/dbraw/zinc/03/34/76/196033476.db2.gz PXZMEFAJZJQEIB-INIZCTEOSA-N 1 2 316.426 3.281 10 30 DGEELO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000129266109 196033479 /nfs/dbraw/zinc/03/34/79/196033479.db2.gz PXZMEFAJZJQEIB-INIZCTEOSA-N 1 2 316.426 3.281 10 30 DGEELO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000269747357 432204304 /nfs/dbraw/zinc/20/43/04/432204304.db2.gz BCRACWBRSDDJGX-YJBOKZPZSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000269747357 432204307 /nfs/dbraw/zinc/20/43/07/432204307.db2.gz BCRACWBRSDDJGX-YJBOKZPZSA-N 1 2 314.335 3.144 10 30 DGEELO N#CCC[C@H](C#N)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000375932585 229584302 /nfs/dbraw/zinc/58/43/02/229584302.db2.gz MQSNXPQAVUPRJR-CYBMUJFWSA-N 1 2 302.809 3.358 10 30 DGEELO Cn1cc(C#N)cc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000081536258 431792221 /nfs/dbraw/zinc/79/22/21/431792221.db2.gz CYYIKVOLJQXVSD-UHFFFAOYSA-N 1 2 318.336 3.336 10 30 DGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248617091 432307392 /nfs/dbraw/zinc/30/73/92/432307392.db2.gz JDBDKZMJCWBKMS-WMZOPIPTSA-N 1 2 320.383 3.020 10 30 DGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000248617091 432307394 /nfs/dbraw/zinc/30/73/94/432307394.db2.gz JDBDKZMJCWBKMS-WMZOPIPTSA-N 1 2 320.383 3.020 10 30 DGEELO C=C(Br)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264095755 432614187 /nfs/dbraw/zinc/61/41/87/432614187.db2.gz GTXAKIMGFMIENX-UHFFFAOYSA-N 1 2 321.218 3.310 10 30 DGEELO N#Cc1ccc(C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)s1 ZINC000176959607 432568883 /nfs/dbraw/zinc/56/88/83/432568883.db2.gz MTWWNPPDPCWPSZ-UHFFFAOYSA-N 1 2 314.414 3.439 10 30 DGEELO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000194965032 432590272 /nfs/dbraw/zinc/59/02/72/432590272.db2.gz XDTUIRZFIVQIML-UHFFFAOYSA-N 1 2 323.371 3.300 10 30 DGEELO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2F)C2CC2)cc1 ZINC000194965032 432590276 /nfs/dbraw/zinc/59/02/76/432590276.db2.gz XDTUIRZFIVQIML-UHFFFAOYSA-N 1 2 323.371 3.300 10 30 DGEELO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000187263264 432653866 /nfs/dbraw/zinc/65/38/66/432653866.db2.gz RYPXUCANYGRNLB-FQEVSTJZSA-N 1 2 320.440 3.081 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188774632 432745542 /nfs/dbraw/zinc/74/55/42/432745542.db2.gz FVCJGGUEMUTOOB-CQSZACIVSA-N 1 2 320.864 3.417 10 30 DGEELO C=C(C)C[C@@H](C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188774632 432745546 /nfs/dbraw/zinc/74/55/46/432745546.db2.gz FVCJGGUEMUTOOB-CQSZACIVSA-N 1 2 320.864 3.417 10 30 DGEELO Cc1cn2cc(NC(=O)c3snnc3C(C)(C)C)ccc2[nH+]1 ZINC000330233028 432898383 /nfs/dbraw/zinc/89/83/83/432898383.db2.gz XRBKQRBJMUXYEH-UHFFFAOYSA-N 1 2 315.402 3.428 10 30 DGEELO C=C(C)CN(Cc1ccccc1)C(=O)NCc1[nH+]ccn1CC ZINC000298502817 433156463 /nfs/dbraw/zinc/15/64/63/433156463.db2.gz RMKQQYKYSXCAIV-UHFFFAOYSA-N 1 2 312.417 3.191 10 30 DGEELO C=C(C)CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000454279138 433356905 /nfs/dbraw/zinc/35/69/05/433356905.db2.gz XXVGDRUARRLRDO-UHFFFAOYSA-N 1 2 308.451 3.217 10 30 DGEELO C=CC[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282176638 433519816 /nfs/dbraw/zinc/51/98/16/433519816.db2.gz OEURHIXGRRZCEG-GJZGRUSLSA-N 1 2 316.449 3.073 10 30 DGEELO C#CCCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282458894 433608449 /nfs/dbraw/zinc/60/84/49/433608449.db2.gz VYOYBDMOQRYZGL-MRXNPFEDSA-N 1 2 313.445 3.119 10 30 DGEELO C=CCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283649712 433757045 /nfs/dbraw/zinc/75/70/45/433757045.db2.gz WUPITLQBZGVFGP-HNNXBMFYSA-N 1 2 316.449 3.075 10 30 DGEELO C[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328770598 434310431 /nfs/dbraw/zinc/31/04/31/434310431.db2.gz GTJTUQLEXZGKOZ-RDBSUJKOSA-N 1 2 318.465 3.188 10 30 DGEELO C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328770598 434310437 /nfs/dbraw/zinc/31/04/37/434310437.db2.gz GTJTUQLEXZGKOZ-RDBSUJKOSA-N 1 2 318.465 3.188 10 30 DGEELO C=CC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364552813 434277087 /nfs/dbraw/zinc/27/70/87/434277087.db2.gz YXBCOOHKWSKCJV-CQSZACIVSA-N 1 2 301.434 3.063 10 30 DGEELO C=CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364552813 434277094 /nfs/dbraw/zinc/27/70/94/434277094.db2.gz YXBCOOHKWSKCJV-CQSZACIVSA-N 1 2 301.434 3.063 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1CCCCC1)C2 ZINC000329236890 434379486 /nfs/dbraw/zinc/37/94/86/434379486.db2.gz OQZAOCPVSZJVLE-CQSZACIVSA-N 1 2 318.465 3.332 10 30 DGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1CCCCC1)C2 ZINC000329236890 434379495 /nfs/dbraw/zinc/37/94/95/434379495.db2.gz OQZAOCPVSZJVLE-CQSZACIVSA-N 1 2 318.465 3.332 10 30 DGEELO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000329910869 434503348 /nfs/dbraw/zinc/50/33/48/434503348.db2.gz WCPPYPCDFYCAEZ-RRFJBIMHSA-N 1 2 303.406 3.007 10 30 DGEELO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000369295959 434592415 /nfs/dbraw/zinc/59/24/15/434592415.db2.gz ZTDDHIBEJKHVKF-RDJZCZTQSA-N 1 2 315.392 3.250 10 30 DGEELO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000369295959 434592422 /nfs/dbraw/zinc/59/24/22/434592422.db2.gz ZTDDHIBEJKHVKF-RDJZCZTQSA-N 1 2 315.392 3.250 10 30 DGEELO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3ccccc3n2)n1 ZINC000491484195 435758151 /nfs/dbraw/zinc/75/81/51/435758151.db2.gz HWDQODKBLIWLOT-UHFFFAOYSA-N 1 2 304.397 3.087 10 30 DGEELO C#CCn1ccc(C[N@H+](CC)Cc2ccc3ccccc3n2)n1 ZINC000491484195 435758156 /nfs/dbraw/zinc/75/81/56/435758156.db2.gz HWDQODKBLIWLOT-UHFFFAOYSA-N 1 2 304.397 3.087 10 30 DGEELO Cc1cc(C#N)nc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000579627366 323895942 /nfs/dbraw/zinc/89/59/42/323895942.db2.gz WZLVYTXDZDSSEG-CQSZACIVSA-N 1 2 322.416 3.483 10 30 DGEELO COc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(Cl)c1OC ZINC000356950721 533800956 /nfs/dbraw/zinc/80/09/56/533800956.db2.gz XFUYRCHERINCRM-UHFFFAOYSA-N 1 2 308.809 3.483 10 30 DGEELO C=C[C@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000494244681 534690611 /nfs/dbraw/zinc/69/06/11/534690611.db2.gz KYPXJMIVDXPLQE-AWEZNQCLSA-N 1 2 318.808 3.238 10 30 DGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(OC)c1 ZINC000343949874 526349664 /nfs/dbraw/zinc/34/96/64/526349664.db2.gz FMNXJGWTZBIDGQ-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(OC)c1 ZINC000343949874 526349672 /nfs/dbraw/zinc/34/96/72/526349672.db2.gz FMNXJGWTZBIDGQ-UHFFFAOYSA-N 1 2 313.357 3.187 10 30 DGEELO C=CC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CC1 ZINC000357554940 526383483 /nfs/dbraw/zinc/38/34/83/526383483.db2.gz REYHWGRCESBSDJ-UHFFFAOYSA-N 1 2 301.415 3.036 10 30 DGEELO C=CC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CC1 ZINC000357554940 526383487 /nfs/dbraw/zinc/38/34/87/526383487.db2.gz REYHWGRCESBSDJ-UHFFFAOYSA-N 1 2 301.415 3.036 10 30 DGEELO C=CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354044184 526863701 /nfs/dbraw/zinc/86/37/01/526863701.db2.gz GOXNGHRZOVQXPR-CQSZACIVSA-N 1 2 300.402 3.384 10 30 DGEELO C=CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354044184 526863704 /nfs/dbraw/zinc/86/37/04/526863704.db2.gz GOXNGHRZOVQXPR-CQSZACIVSA-N 1 2 300.402 3.384 10 30 DGEELO C=CC[C@H](CC)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000346917593 527155687 /nfs/dbraw/zinc/15/56/87/527155687.db2.gz ZMOWPISYNPAJKX-LBPRGKRZSA-N 1 2 306.797 3.142 10 30 DGEELO C=CCN(CCC#N)C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000359437369 527654165 /nfs/dbraw/zinc/65/41/65/527654165.db2.gz QTPYRWKUJHDHCM-UHFFFAOYSA-N 1 2 324.428 3.307 10 30 DGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCC1CCOCC1)CCC2 ZINC000328817811 546481301 /nfs/dbraw/zinc/48/13/01/546481301.db2.gz OCEKBLYLPCVXAB-HNNXBMFYSA-N 1 2 305.422 3.232 10 30 DGEELO Cc1nc([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cs1 ZINC000329559174 546487663 /nfs/dbraw/zinc/48/76/63/546487663.db2.gz QXAOPHAMPUUERG-NHYWBVRUSA-N 1 2 323.462 3.112 10 30 DGEELO Cc1nc([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cs1 ZINC000329559174 546487665 /nfs/dbraw/zinc/48/76/65/546487665.db2.gz QXAOPHAMPUUERG-NHYWBVRUSA-N 1 2 323.462 3.112 10 30 DGEELO CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+]CC2CCCC2)C1 ZINC000329579018 546487756 /nfs/dbraw/zinc/48/77/56/546487756.db2.gz KRQJYRKOVZCCRW-HNNXBMFYSA-N 1 2 304.438 3.187 10 30 DGEELO C=CCn1c2ccccc2n(C[N@H+](C)C[C@@H]2CCCO2)c1=S ZINC000738064479 574858663 /nfs/dbraw/zinc/85/86/63/574858663.db2.gz CEWQZBDDGVBEDP-AWEZNQCLSA-N 1 2 317.458 3.427 10 30 DGEELO C=CCn1c2ccccc2n(C[N@@H+](C)C[C@@H]2CCCO2)c1=S ZINC000738064479 574858664 /nfs/dbraw/zinc/85/86/64/574858664.db2.gz CEWQZBDDGVBEDP-AWEZNQCLSA-N 1 2 317.458 3.427 10 30 DGEELO C#CC[NH+](CC#C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000072907087 660227255 /nfs/dbraw/zinc/22/72/55/660227255.db2.gz KKKIQWGOZKASKT-UHFFFAOYSA-N 1 2 302.377 3.007 10 30 DGEELO Cc1cccc2[nH]cc(CC/[NH+]=C\c3ccc(O)c(O)c3O)c21 ZINC000255322102 655698923 /nfs/dbraw/zinc/69/89/23/655698923.db2.gz MTVVACBRKJRZMU-OCKHKDLRSA-N 1 2 310.353 3.255 10 30 DGEELO CCOc1ccc(O)c(/C=[NH+]/CCc2ncc(CC)s2)c1 ZINC000173990413 659407903 /nfs/dbraw/zinc/40/79/03/659407903.db2.gz XKFZWQIIASYFNB-LICLKQGHSA-N 1 2 304.415 3.471 10 30 DGEELO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000245762022 662240602 /nfs/dbraw/zinc/24/06/02/662240602.db2.gz PYTAXWPFHIOUIR-ZIAGYGMSSA-N 1 2 318.417 3.139 10 30 DGEELO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000245762022 662240605 /nfs/dbraw/zinc/24/06/05/662240605.db2.gz PYTAXWPFHIOUIR-ZIAGYGMSSA-N 1 2 318.417 3.139 10 30 DGEELO N#Cc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1F ZINC000403996539 1199529202 /nfs/dbraw/zinc/52/92/02/1199529202.db2.gz GKBVMCDSXVSURS-UHFFFAOYSA-N 1 2 320.371 3.232 10 30 DGEELO Cc1noc(/[NH+]=C/N(C)C)c1Sc1ccccc1[N+](=O)[O-] ZINC000005600853 181262255 /nfs/dbraw/zinc/26/22/55/181262255.db2.gz GNCBABXYFZBAHM-RIYZIHGNSA-N 1 2 306.347 3.264 10 30 DGEELO C=CC[N@@H+](Cc1cn(C)nc1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000179901682 432073398 /nfs/dbraw/zinc/07/33/98/432073398.db2.gz OEYLSYQJRRBLEN-UHFFFAOYSA-N 1 2 314.389 3.079 10 30 DGEELO C=CC[N@H+](Cc1cn(C)nc1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000179901682 432073400 /nfs/dbraw/zinc/07/34/00/432073400.db2.gz OEYLSYQJRRBLEN-UHFFFAOYSA-N 1 2 314.389 3.079 10 30 DGEELO C=C(CC)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000455538263 242228523 /nfs/dbraw/zinc/22/85/23/242228523.db2.gz NRTWSCMVBKEKAG-OAHLLOKOSA-N 1 2 316.449 3.075 10 30 DGEELO N#Cc1ccc(OC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000264790840 204159250 /nfs/dbraw/zinc/15/92/50/204159250.db2.gz SKRIPAKFJVCQFW-UHFFFAOYSA-N 1 2 320.396 3.273 10 30 DGEELO N#Cc1cc(F)c(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171364713 432125040 /nfs/dbraw/zinc/12/50/40/432125040.db2.gz ANUKOCFLLFTTBI-LBPRGKRZSA-N 1 2 314.339 3.170 10 30 DGEELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(C#N)cc1F)C2 ZINC000106373351 194203054 /nfs/dbraw/zinc/20/30/54/194203054.db2.gz QTVUIKPXNRUNIC-UHFFFAOYSA-N 1 2 312.392 3.113 10 30 DGEELO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000617045009 400292096 /nfs/dbraw/zinc/29/20/96/400292096.db2.gz WJGVRBGQPMNABV-GOEBONIOSA-N 1 2 301.434 3.013 10 30 DGEELO N#Cc1cccc(-c2nc3c(o2)CCN(c2cccc[nH+]2)C3)c1 ZINC000113980389 400384505 /nfs/dbraw/zinc/38/45/05/400384505.db2.gz VIILOWQQKFGXGP-UHFFFAOYSA-N 1 2 302.337 3.171 10 30 DGEELO C=CCCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC000617417738 400385481 /nfs/dbraw/zinc/38/54/81/400385481.db2.gz DRWAPJRSGUMHMG-HUUCEWRRSA-N 1 2 301.434 3.166 10 30 DGEELO C=C(C)C[C@H]([NH2+]C/C(C)=C/c1ccccc1COC)C(=O)OC ZINC000602733042 400556951 /nfs/dbraw/zinc/55/69/51/400556951.db2.gz HDKVYDDHEPYDEE-OTMARIDSSA-N 1 2 317.429 3.334 10 30 DGEELO C=CCC[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000612708095 400590229 /nfs/dbraw/zinc/59/02/29/400590229.db2.gz HMQMYCLVUVWXOP-CVEARBPZSA-N 1 2 309.413 3.338 10 30 DGEELO C=CCC[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000612708095 400590234 /nfs/dbraw/zinc/59/02/34/400590234.db2.gz HMQMYCLVUVWXOP-CVEARBPZSA-N 1 2 309.413 3.338 10 30 DGEELO C=CC[C@H]1N(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CCCC1(C)C ZINC000626675312 401394689 /nfs/dbraw/zinc/39/46/89/401394689.db2.gz BVNYBMVYLBKJDI-HZPDHXFCSA-N 1 2 315.461 3.347 10 30 DGEELO C=CCCC(C)(C)CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000631452861 401473294 /nfs/dbraw/zinc/47/32/94/401473294.db2.gz WSMNZULXCKSRIF-UHFFFAOYSA-N 1 2 318.465 3.232 10 30 DGEELO C=CCCC(C)(C)CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000631452861 401473297 /nfs/dbraw/zinc/47/32/97/401473297.db2.gz WSMNZULXCKSRIF-UHFFFAOYSA-N 1 2 318.465 3.232 10 30 DGEELO C=C1CC(C)(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000631315437 401450575 /nfs/dbraw/zinc/45/05/75/401450575.db2.gz WDRFXGQWHFFNHJ-CQSZACIVSA-N 1 2 308.372 3.040 10 30 DGEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000632209385 401590369 /nfs/dbraw/zinc/59/03/69/401590369.db2.gz WHQVYGJFMBOGFH-HZPDHXFCSA-N 1 2 320.383 3.183 10 30 DGEELO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000632209385 401590371 /nfs/dbraw/zinc/59/03/71/401590371.db2.gz WHQVYGJFMBOGFH-HZPDHXFCSA-N 1 2 320.383 3.183 10 30 DGEELO C=CC[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000628492388 401607818 /nfs/dbraw/zinc/60/78/18/401607818.db2.gz TUUUBBNKWUOABE-DOTOQJQBSA-N 1 2 309.413 3.356 10 30 DGEELO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629388537 401683574 /nfs/dbraw/zinc/68/35/74/401683574.db2.gz DQBKQFPNECIWSN-UHFFFAOYSA-N 1 2 311.429 3.024 10 30 DGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1F ZINC000192070015 165280918 /nfs/dbraw/zinc/28/09/18/165280918.db2.gz RWQDOPFXUYEJNB-INIZCTEOSA-N 1 2 302.374 3.332 10 30 DGEELO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1F ZINC000192070015 165280922 /nfs/dbraw/zinc/28/09/22/165280922.db2.gz RWQDOPFXUYEJNB-INIZCTEOSA-N 1 2 302.374 3.332 10 30 DGEELO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246890600 432177948 /nfs/dbraw/zinc/17/79/48/432177948.db2.gz QYWKBLCBKVEJSV-PBHICJAKSA-N 1 2 313.376 3.306 10 30 DGEELO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246890600 432177950 /nfs/dbraw/zinc/17/79/50/432177950.db2.gz QYWKBLCBKVEJSV-PBHICJAKSA-N 1 2 313.376 3.306 10 30 DGEELO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000269747353 432204100 /nfs/dbraw/zinc/20/41/00/432204100.db2.gz BCRACWBRSDDJGX-QAPCUYQASA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000269747353 432204102 /nfs/dbraw/zinc/20/41/02/432204102.db2.gz BCRACWBRSDDJGX-QAPCUYQASA-N 1 2 314.335 3.144 10 30 DGEELO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115740073 226935175 /nfs/dbraw/zinc/93/51/75/226935175.db2.gz AGQVJUXOMYFRKL-CQSZACIVSA-N 1 2 301.365 3.112 10 30 DGEELO Cc1cc(N2CCC(c3noc(C4CC4)n3)CC2)c(C#N)c(C)[nH+]1 ZINC000302164113 230137089 /nfs/dbraw/zinc/13/70/89/230137089.db2.gz INVATXSDRBBKRD-UHFFFAOYSA-N 1 2 323.400 3.215 10 30 DGEELO C=C(C)[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)c1ccc(F)c(F)c1 ZINC000475730266 429716511 /nfs/dbraw/zinc/71/65/11/429716511.db2.gz JBPSKGYQQYQLMB-CQSZACIVSA-N 1 2 319.359 3.254 10 30 DGEELO C=C(C)[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000475730266 429716514 /nfs/dbraw/zinc/71/65/14/429716514.db2.gz JBPSKGYQQYQLMB-CQSZACIVSA-N 1 2 319.359 3.254 10 30 DGEELO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182690803 278259523 /nfs/dbraw/zinc/25/95/23/278259523.db2.gz ZXLWPDKAYVFJAR-MRXNPFEDSA-N 1 2 309.417 3.333 10 30 DGEELO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182690803 278259525 /nfs/dbraw/zinc/25/95/25/278259525.db2.gz ZXLWPDKAYVFJAR-MRXNPFEDSA-N 1 2 309.417 3.333 10 30 DGEELO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377011093 280173116 /nfs/dbraw/zinc/17/31/16/280173116.db2.gz XLUMUUAURPXXPN-AABGKKOBSA-N 1 2 309.457 3.169 10 30 DGEELO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000377011093 280173118 /nfs/dbraw/zinc/17/31/18/280173118.db2.gz XLUMUUAURPXXPN-AABGKKOBSA-N 1 2 309.457 3.169 10 30 DGEELO N#Cc1ccc2[nH+]cc(CN3CCCC[C@@H]3c3nccs3)n2c1 ZINC000127659782 431977347 /nfs/dbraw/zinc/97/73/47/431977347.db2.gz LCYWAFGYKPYFCC-OAHLLOKOSA-N 1 2 323.425 3.390 10 30 DGEELO C(#Cc1ccccc1)C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000191979153 432320582 /nfs/dbraw/zinc/32/05/82/432320582.db2.gz HOAUKGQQEMGDRC-SFHVURJKSA-N 1 2 320.440 3.193 10 30 DGEELO C(#Cc1ccccc1)C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000191979153 432320585 /nfs/dbraw/zinc/32/05/85/432320585.db2.gz HOAUKGQQEMGDRC-SFHVURJKSA-N 1 2 320.440 3.193 10 30 DGEELO CCC1(CC)C[N@H+](CC#Cc2ccc(Cl)cc2)CC[S@@]1=O ZINC000185275438 432485460 /nfs/dbraw/zinc/48/54/60/432485460.db2.gz QQVKUIHJRDWSQQ-NRFANRHFSA-N 1 2 323.889 3.315 10 30 DGEELO CCC1(CC)C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[S@@]1=O ZINC000185275438 432485463 /nfs/dbraw/zinc/48/54/63/432485463.db2.gz QQVKUIHJRDWSQQ-NRFANRHFSA-N 1 2 323.889 3.315 10 30 DGEELO COc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1Cl ZINC000193680842 432490280 /nfs/dbraw/zinc/49/02/80/432490280.db2.gz QTKFIHKABVNYGZ-UHFFFAOYSA-N 1 2 312.760 3.480 10 30 DGEELO N#Cc1ccc2[nH+]cc(CNc3ccc(-n4cccn4)cc3)n2c1 ZINC000155925366 432581659 /nfs/dbraw/zinc/58/16/59/432581659.db2.gz BVUOUUJFZMICIP-UHFFFAOYSA-N 1 2 314.352 3.004 10 30 DGEELO C=CC[C@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000265344206 432692438 /nfs/dbraw/zinc/69/24/38/432692438.db2.gz ZGBJMAWEUBUPGV-LBPRGKRZSA-N 1 2 308.451 3.215 10 30 DGEELO C=C(Cl)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000265476940 432703102 /nfs/dbraw/zinc/70/31/02/432703102.db2.gz NRZZLWWOYSEMHL-UHFFFAOYSA-N 1 2 314.842 3.003 10 30 DGEELO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000275693952 432740630 /nfs/dbraw/zinc/74/06/30/432740630.db2.gz XDXLRMMVMVFTMI-GOSISDBHSA-N 1 2 306.413 3.497 10 30 DGEELO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000275693952 432740634 /nfs/dbraw/zinc/74/06/34/432740634.db2.gz XDXLRMMVMVFTMI-GOSISDBHSA-N 1 2 306.413 3.497 10 30 DGEELO N#Cc1ccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cc1 ZINC000275693952 432740637 /nfs/dbraw/zinc/74/06/37/432740637.db2.gz XDXLRMMVMVFTMI-GOSISDBHSA-N 1 2 306.413 3.497 10 30 DGEELO N#Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178906530 432788282 /nfs/dbraw/zinc/78/82/82/432788282.db2.gz MXNSJQRYPURSHY-CRAIPNDOSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178906530 432788287 /nfs/dbraw/zinc/78/82/87/432788287.db2.gz MXNSJQRYPURSHY-CRAIPNDOSA-N 1 2 314.335 3.144 10 30 DGEELO CC[C@@H]1OCCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330296183 432903074 /nfs/dbraw/zinc/90/30/74/432903074.db2.gz GCUXMCQTIFLQLG-CVEARBPZSA-N 1 2 317.433 3.212 10 30 DGEELO CC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]cc1C#N)CC2 ZINC000425248302 433136778 /nfs/dbraw/zinc/13/67/78/433136778.db2.gz QQOVMPPFFDPSDG-UHFFFAOYSA-N 1 2 305.381 3.070 10 30 DGEELO C=CCOc1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)cc1 ZINC000421354293 433495804 /nfs/dbraw/zinc/49/58/04/433495804.db2.gz HDWDQFRDIXSIIE-UHFFFAOYSA-N 1 2 305.809 3.237 10 30 DGEELO C=C(CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000377044883 433848724 /nfs/dbraw/zinc/84/87/24/433848724.db2.gz IIXGTXNTVAYBFK-UHFFFAOYSA-N 1 2 310.401 3.012 10 30 DGEELO C=C(CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000377044883 433848734 /nfs/dbraw/zinc/84/87/34/433848734.db2.gz IIXGTXNTVAYBFK-UHFFFAOYSA-N 1 2 310.401 3.012 10 30 DGEELO C=CCC[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378071173 434070660 /nfs/dbraw/zinc/07/06/60/434070660.db2.gz LPUVDXYJWNAYKU-CVEARBPZSA-N 1 2 324.428 3.274 10 30 DGEELO C=CCC[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378071173 434070668 /nfs/dbraw/zinc/07/06/68/434070668.db2.gz 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C=CCCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000448030654 433353220 /nfs/dbraw/zinc/35/32/20/433353220.db2.gz MSQMTYAFTZHZMV-UHFFFAOYSA-N 1 2 321.490 3.104 10 30 DGEELO C=CC[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282176639 433519529 /nfs/dbraw/zinc/51/95/29/433519529.db2.gz OEURHIXGRRZCEG-HUUCEWRRSA-N 1 2 316.449 3.073 10 30 DGEELO C#CCCCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282458888 433609913 /nfs/dbraw/zinc/60/99/13/433609913.db2.gz VYOYBDMOQRYZGL-INIZCTEOSA-N 1 2 313.445 3.119 10 30 DGEELO Cc1cc(Nc2ccc(CN3CCCC3=O)cc2)c(C#N)c(C)[nH+]1 ZINC000301754894 433706918 /nfs/dbraw/zinc/70/69/18/433706918.db2.gz CTVZFWYHLRDCHU-UHFFFAOYSA-N 1 2 320.396 3.436 10 30 DGEELO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339783988 433781804 /nfs/dbraw/zinc/78/18/04/433781804.db2.gz SUFGGZMIEORIQR-MSOLQXFVSA-N 1 2 314.335 3.144 10 30 DGEELO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339783988 433781814 /nfs/dbraw/zinc/78/18/14/433781814.db2.gz 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